Zn(IDS)(bipy)
| Crystal submitted by: |
| Crystal submitted on: |
| Data collected on: |
| Structure solved by: |
| Identification code | Zn(IDS)(bipy) |
| Empirical formula | C18H15N3O8Zn2 |
| Formula weight | 532.07 |
| Temperature/K | 100(2) |
| Crystal system | Orthorhombic |
| Space group | P212121 |
| a/Å, b/Å, c/Å | 10.0245(4), 10.8912(4), 20.7145(8) |
| α/°, β/°, γ/° | 90.00, 90.00, 90.00 |
| Volume/Å3 | 2261.59(15) |
| Z | 4 |
| ρcalcmg/mm3 | 1.563 |
| m/mm‑1 | 1.958 |
| F(000) | 1072 |
| Crystal size/mm3 | 0.10 × 0.02 × 0.01 |
| Theta range for data collection | 1.87 to 27.10° |
| Index ranges | -12 ≤ h ≤ 12, -13 ≤ k ≤ 11, -26 ≤ l ≤ 26 |
| Reflections collected | 18672 |
| Independent reflections | 4880[R(int) = 0.0599] |
| Data/restraints/parameters | 4880/629/525 |
| Goodness-of-fit on F2 | 1.087 |
| Final R indexes [I>2σ (I)] | R1 = 0.1079, wR2 = 0.2707 |
| Final R indexes [all data] | R1 = 0.1164, wR2 = 0.2832 |
| Largest diff. peak/hole / e Å-3 | 2.689/-0.820 |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| N1A | 11210(8) | 9687(4) | 2642(3) | 41.2(15) |
| O1A | 13196(8) | 8880(9) | 1891(3) | 61.1(19) |
| C1A | 13476(8) | 9087(9) | 2472(4) | 34.4(19) |
| O2A | 14658(7) | 9013(8) | 2673(3) | 53.6(18) |
| C2A | 12434(7) | 9332(7) | 2967(4) | 36.3(18) |
| C5A | 12926(9) | 10244(8) | 3475(4) | 46(2) |
| O5A | 13178(9) | 11688(7) | 2604(4) | 68(2) |
| C6A | 13183(12) | 11488(9) | 3184(5) | 60(17) |
| O6A | 13603(15) | 12327(9) | 3570(6) | 81(3) |
| O3A | 9085(7) | 9082(7) | 1900(3) | 46.8(16) |
| C4A | 8794(10) | 9236(16) | 2490(4) | 47(2) |
| O4A | 7574(7) | 9256(8) | 2699(4) | 55.6(19) |
| C3A | 9871(9) | 9383(8) | 2986(5) | 50(3) |
| C7A | 9528(11) | 10301(8) | 3518(5) | 52(2) |
| O7A | 9353(10) | 11801(8) | 2677(5) | 80(3) |
| C8A | 9208(11) | 11561(8) | 3253(6) | 60(17) |
| O8A | 8948(9) | 12402(8) | 3659(5) | 77(3) |
| Zn1A | 11157.9(14) | 8932.7(9) | 1723.9(5) | 48.7(3) |
| N2A | 11168(10) | 10319(7) | 1049(4) | 53(19) |
| C9A | 10397(14) | 10244(11) | 527(6) | 80(3) |
| C10A | 10228(13) | 11199(11) | 84(7) | 86(4) |
| C11A | 11123(11) | 12146(8) | 114(4) | 51(2) |
| C12A | 11969(15) | 12210(11) | 624(6) | 86(4) |
| C13A | 12009(14) | 11276(10) | 1082(5) | 83(4) |
| N3A | 11178(10) | 14894(7) | -1392(3) | 44.8(16) |
| C14A | 11688(13) | 15101(10) | -801(5) | 66(3) |
| C15A | 11721(12) | 14225(8) | -311(5) | 59(3) |
| C16A | 11141(12) | 13109(8) | -429(4) | 51(2) |
| C17A | 10640(11) | 12871(9) | -1020(5) | 59(2) |
| C18A | 10614(12) | 13774(9) | -1491(5) | 63(3) |
| Zn2A | 6223.7(11) | 8793.4(9) | 2075.1(5) | 40.9(3) |
| N1B | 6380(14) | 9698(5) | 2654(6) | 40(4) |
| O1B | 8399(15) | 8930(2) | 1935(7) | 62(4) |
| C1B | 8657(18) | 9180(5) | 2516(9) | 50(4) |
| O2B | 9822(17) | 9130(2) | 2756(10) | 68(7) |
| C2B | 7571(13) | 9363(13) | 3003(7) | 39(4) |
| C5B | 7950(2) | 10236(13) | 3552(8) | 47(6) |
| O5B | 8189(13) | 11754(10) | 2700(5) | 32(3) |
| C6B | 8060(2) | 11520(14) | 3281(8) | 50(5) |
| O6B | 8367(19) | 12306(15) | 3713(8) | 52(5) |
| O3B | 4306(13) | 8998(17) | 1891(6) | 50(4) |
| C4B | 3962(14) | 9210(3) | 2466(8) | 46(6) |
| O4B | 2756(13) | 9160(2) | 2678(8) | 58(5) |
| C3B | 5019(13) | 9392(13) | 2973(7) | 50(3) |
| C7B | 4560(2) | 10367(15) | 3467(8) | 52(2) |
| O7B | 4640(2) | 11760(2) | 2586(9) | 76(6) |
| C8B | 4205(19) | 11567(15) | 3138(9) | 46(5) |
| O8B | 3780(5) | 12420(2) | 3498(14) | 80(3) |
| Zn1B | 6407(3) | 8927(2) | 1726.3(16) | 48.7(3) |
| N2B | 6300(2) | 10323(13) | 1074(10) | 82(6) |
| C9B | 5390(3) | 10280(2) | 594(13) | 83(7) |
| C10B | 5290(3) | 11240(2) | 151(15) | 87(7) |
| C11B | 6280(2) | 12112(17) | 149(10) | 79(7) |
| C12B | 7180(3) | 12170(2) | 631(11) | 98(7) |
| C13B | 7057(4) | 11355(6) | 1140(4) | 98(7) |
| N3B | 6288(9) | 14870(8) | -1383(4) | 77(6) |
| C14B | 6775(9) | 15061(8) | -790(5) | 92(7) |
| C15B | 6823(8) | 14219(7) | -290(4) | 74(6) |
| C16B | 6226(7) | 13104(7) | -392(4) | 72(6) |
| C17B | 5686(8) | 12865(7) | -983(3) | 78(7) |
| C18B | 5682(9) | 13769(8) | -1455(4) | 90(7) |
| Zn2B | 1333(3) | 8810(2) | 2092.9(13) | 40.9(3) |
| Atom | U11 | U22 | U33 | U23 | U13 | U12 |
|---|---|---|---|---|---|---|
| N1A | 40(3) | 43(3) | 40(3) | 16(3) | -6(3) | -7(4) |
| O1A | 78(5) | 67(5) | 38(3) | 2(3) | 0(3) | 21(4) |
| C1A | 22(4) | 40(4) | 42(4) | 11(3) | 3(3) | 10(4) |
| O2A | 40(3) | 73(5) | 48(4) | 14(3) | 6(3) | 6(3) |
| C2A | 33(4) | 37(4) | 39(4) | -1(4) | 11(4) | 7(3) |
| C5A | 30(4) | 52(5) | 55(5) | -8(4) | -18(4) | -3(3) |
| O5A | 69(5) | 33(3) | 104(6) | 21(4) | -2(5) | -1(3) |
| C6A | 51(3) | 41(3) | 87(5) | -7(3) | -11(4) | -6(3) |
| O6A | 89(7) | 43(4) | 110(7) | -13(5) | -57(6) | -1(4) |
| O3A | 53(4) | 49(3) | 39(3) | 10(2) | -7(3) | -11(3) |
| C4A | 54(5) | 41(4) | 46(4) | 6(4) | -3(5) | 15(5) |
| O4A | 48(4) | 73(5) | 45(4) | 4(4) | -4(3) | 3(3) |
| C3A | 65(6) | 27(5) | 56(7) | 16(5) | 12(5) | 9(4) |
| C7A | 57(5) | 41(5) | 58(5) | 10(4) | -30(4) | 3(4) |
| O7A | 90(6) | 52(4) | 97(6) | 29(4) | -30(5) | 9(4) |
| C8A | 51(3) | 41(3) | 87(5) | -7(3) | -11(4) | -6(3) |
| O8A | 47(5) | 47(4) | 137(8) | -16(4) | 29(5) | -16(4) |
| Zn1A | 66.3(6) | 39(5) | 40.9(5) | 9.4(4) | -6.4(6) | 0.9(6) |
| N2A | 58(4) | 43(4) | 58(4) | 21(3) | 5(5) | -3(4) |
| C9A | 92(8) | 61(6) | 87(7) | 35(6) | -24(6) | -19(6) |
| C10A | 88(7) | 77(7) | 92(7) | 51(6) | -38(6) | -19(6) |
| C11A | 67(5) | 47(5) | 38(4) | 13(3) | -16(5) | -9(5) |
| C12A | 114(9) | 63(6) | 81(7) | 42(6) | -31(7) | -26(7) |
| C13A | 99(8) | 68(7) | 84(7) | 28(6) | -39(6) | -29(6) |
| N3A | 49(4) | 46(4) | 39(3) | 4(3) | -1(4) | -8(4) |
| C14A | 86(7) | 39(5) | 74(6) | 12(5) | -15(6) | -17(5) |
| C15A | 86(7) | 44(5) | 46(5) | 0(4) | 0(5) | -8(5) |
| C16A | 59(5) | 45(5) | 49(4) | 23(4) | 9(5) | 2(5) |
| C17A | 64(6) | 43(5) | 71(6) | 1(5) | -1(5) | -8(4) |
| C18A | 72(6) | 48(5) | 69(6) | -5(5) | -5(5) | -15(5) |
| Zn2A | 47.1(5) | 41.3(5) | 34.4(5) | 7.8(3) | -3.3(5) | -1.3(5) |
| N1B | 51(9) | 25(6) | 42(8) | -5(6) | 1(7) | -9(6) |
| O1B | 76(9) | 55(8) | 56(8) | -1(7) | 3(8) | 14(9) |
| C1B | 54(8) | 48(8) | 47(8) | 2(7) | -5(8) | 19(8) |
| O2B | 71(12) | 70(13) | 64(13) | 2(10) | 29(10) | 37(10) |
| C2B | 49(8) | 32(8) | 34(9) | -5(8) | 0(8) | 21(7) |
| C5B | 46(12) | 26(10) | 68(15) | 10(10) | -32(11) | -9(8) |
| O5B | 25(6) | 13(5) | 58(8) | -4(5) | 15(6) | 0(5) |
| C6B | 41(9) | 31(9) | 77(11) | 12(9) | 27(9) | -1(8) |
| O6B | 37(9) | 40(9) | 79(11) | 0(8) | 18(9) | -31(8) |
| O3B | 55(9) | 50(9) | 44(8) | 16(7) | -12(7) | -3(7) |
| C4B | 54(5) | 41(4) | 46(4) | 6(4) | -3(5) | 15(5) |
| O4B | 28(8) | 100(13) | 45(9) | 18(9) | 4(7) | 32(9) |
| C3B | 65(6) | 27(5) | 56(7) | 16(5) | 12(5) | 9(4) |
| C7B | 57(5) | 41(5) | 58(5) | 10(4) | -30(4) | 3(4) |
| O7B | 63(12) | 88(15) | 79(13) | 22(12) | 32(11) | 11(11) |
| C8B | 21(8) | 40(10) | 78(14) | -8(10) | -17(8) | 10(7) |
| O8B | 90(6) | 52(4) | 97(6) | 29(4) | -30(5) | 9(4) |
| Zn1B | 66.3(6) | 39(5) | 40.9(5) | 9.4(4) | -6.4(6) | 0.9(6) |
| N2B | 62(12) | 20(8) | 162(18) | -11(12) | 2(14) | 0(9) |
| C9B | 50(11) | 39(10) | 161(18) | -4(12) | -12(13) | -3(9) |
| C10B | 55(11) | 45(10) | 161(18) | -3(13) | -37(13) | -6(10) |
| C11B | 69(12) | 17(8) | 152(17) | 14(12) | -62(13) | -7(10) |
| C12B | 83(13) | 38(10) | 173(18) | 13(12) | -65(13) | -22(10) |
| C13B | 74(13) | 44(11) | 176(18) | -3(13) | -38(14) | -28(11) |
| N3B | 105(14) | 35(9) | 91(13) | 21(10) | 7(14) | -5(11) |
| C14B | 107(15) | 55(11) | 114(15) | 28(12) | 6(14) | -1(12) |
| C15B | 84(13) | 37(10) | 101(15) | 4(11) | 7(13) | 8(10) |
| C16B | 69(13) | 43(10) | 103(15) | 12(12) | 25(13) | 18(11) |
| C17B | 67(12) | 42(10) | 125(16) | 11(12) | -9(13) | 5(10) |
| C18B | 88(14) | 51(11) | 130(16) | 9(13) | -5(14) | 4(11) |
| Zn2B | 47.1(5) | 41.3(5) | 34.4(5) | 7.8(3) | -3.3(5) | -1.3(5) |
| Atom | Atom | Length/Å | Atom | Atom | Length/Å |
|---|---|---|---|---|---|
| N1A | C2A | 1.451(10) | C17A | C18A | 1.384(11) |
| N1A | C3A | 1.555(11) | Zn2A | O2A | 2.013(7) |
| N1A | Zn1A | 2.072(6) | Zn2A | O5A | 2.461(8) |
| O1A | C1A | 1.256(9) | Zn2A | O6A4 | 2.090(13) |
| O1A | Zn1A | 2.071(8) | Zn2A | N3A | 2.013(7) |
| C1A | O2A | 1.258(9) | N1B | C2B | 1.443(15) |
| C1A | C2A | 1.487(10) | N1B | C3B | 1.552(16) |
| O2A | Zn2A | 2.013(7) | N1B | Zn1B | 2.098(11) |
| C2A | C5A | 1.529(10) | O1B | C1B | 1.261(14) |
| C5A | C6A | 1.504(11) | O1B | Zn1B | 2.041(14) |
| O5A | C6A | 1.222(11) | C1B | O2B | 1.270(16) |
| O5A | Zn2A | 2.461(8) | C1B | C2B | 1.497(16) |
| C6A | O6A | 1.285(12) | C2B | C5B | 1.530(15) |
| O6A | Zn2A | 2.090(13) | C5B | C6B3 | 1.510(15) |
| O3A | C4A | 1.269(9) | O5B | C6B6 | 1.239(15) |
| O3A | Zn1A2 | 2.115(7) | C6B | O6B | 1.275(16) |
| C4A | O4A | 1.297(11) | O3B | C4B | 1.262(14) |
| C4A | C3A2 | 1.497(12) | O3B | Zn1B | 2.133(13) |
| O4A | Zn2A | 1.938(7) | C4B | O4B | 1.286(15) |
| C3A | C7A | 1.528(12) | C4B | C3B | 1.505(15) |
| C7A | C8A | 1.512(11) | O4B | Zn2B | 1.910(14) |
| O7A | C8A | 1.230(12) | C3B | C7B | 1.544(16) |
| C8A | O8A | 1.270(12) | C7B | C8B | 1.517(16) |
| O8A | Zn1A | 1.849(10) | O7B | C8B | 1.243(16) |
| Zn1A | O8A | 1.849(10) | C8B | O8B | 1.261(16) |
| Zn1A | N2A | 2.057(7) | Zn1B | N2B | 2.038(13) |
| N2A | C9A | 1.332(11) | N2B | C9B | 1.3456 |
| N2A | C13A | 1.342(10) | N2B | C13B | 1.363(12) |
| C9A | C10A | 1.397(11) | C9B | C10B | 1.395(14) |
| C10A | C11A3 | 1.367(11) | C10B | C11B | 1.374(14) |
| C11A | C12A | 1.357(11) | C11B | C12B | 1.3473 |
| C11A | C16A | 1.538(10) | C11B | C16B | 1.557(14) |
| C12A | C13A | 1.391(11) | C12B | C13B | 1.387(13) |
| N3A | C14A | 1.344(10) | N3B | C14B | 1.3381 |
| N3A | C18A | 1.360(10) | N3B | C18B | 1.3518 |
| N3A | Zn2A | 2.013(7) | C14B | C15B | 1.3846 |
| C14A | C15A | 1.394(10) | C15B | C16B | 1.3700 |
| C15A | C16A | 1.369(10) | C16B | C17B | 1.3647 |
| C16A | C17A | 1.348(10) | C17B | C18B | 1.3881 |
| Atom | Atom | Atom | Angle/˚ | Atom | Atom | Atom | Angle/˚ |
|---|---|---|---|---|---|---|---|
| N1A | C2A | C1A | 108.7(6) | N3A | Zn2A | O5A | 149.0(3) |
| N1A | C2A | C5A | 114.7(6) | N3A | Zn2A | O6A | 95.4(3) |
| N1A | Zn1A | O3A | 80.6(3) | C14A | N3A | C18A | 116.5(8) |
| O1A | C1A | O2A | 121.0(8) | C14A | N3A | Zn2A | 120.8(6) |
| O1A | C1A | C2A | 122.4(7) | C15A | C16A | C11A | 118.6(8) |
| O1A | Zn1A | N1A | 80.4(3) | C16A | C15A | C14A | 117.9(8) |
| O1A | Zn1A | O3A | 160.2(2) | C16A | C17A | C18A | 120.7(9) |
| C1A | O1A | Zn1A | 112.1(6) | C17A | C16A | C11A | 122.0(8) |
| C1A | O2A | Zn2A | 122.5(6) | C17A | C16A | C15A | 119.4(8) |
| C1A | C2A | C5A1 | 111.4(7) | C18A | N3A | Zn2A | 122.7(6) |
| O2A | C1A | C2A | 116.4(7) | N1B | C2B | C1B | 107.2(12) |
| O2A | Zn2A | O5A | 97.7(3) | N1B | C2B | C5B | 115.0(11) |
| O2A | Zn2A | O6A | 123.3(5) | N1B | Zn1B | O3B | 80.0(5) |
| O2A | Zn2A | N3A | 109.3(3) | O1B | C1B | C2B | 121.6(15) |
| C2A2 | N1A | C3A4 | 117.3(6) | O1B | Zn1B | N1B | 79.5(6) |
| C2A | N1A | Zn1A | 110.0(5) | O1B | Zn1B | O3B | 158.5(6) |
| O5A | C6A | C5A | 123.7(9) | O1B | Zn1B | N2B | 100.9(8) |
| O5A | C6A | O6A | 119.1(10) | C1B | O1B | Zn1B | 113.8(12) |
| C6A | C5A | C2A | 111.3(7) | C1B | C2B | C5B | 113.6(16) |
| C6A | O5A | Zn2A | 84.2(6) | O2B | C1B | O1B | 123.6(17) |
| C6A | O6A | Zn2A | 99.9(9) | O2B | C1B | C2B | 114.2(14) |
| O6A | C6A | C5A | 116.5(10) | C2B | N1B | C3B | 117.3(11) |
| O6A | Zn2A | O5A | 56.0(3) | C2B4 | N1B | Zn1B3 | 110.4(8) |
| O3A | C4A | O4A | 122.7(9) | O5B | C6B | C5B6 | 124.0(14) |
| O3A | C4A | C3A | 120.7(9) | O5B | C6B | O6B | 121.3(15) |
| C4A | O3A | Zn1A | 113.6(6) | C6B | C5B | C2B | 108.5(12) |
| C4A | O4A | Zn2A | 115.5(6) | O6B | C6B | C5B | 112.3(14) |
| C4A | C3A | N1A | 109.3(7) | O3B | C4B | O4B | 124.9(14) |
| C4A | C3A | C7A | 113.8(8) | O3B | C4B | C3B | 119.5(12) |
| O4A | C4A | C3A5 | 116.6(8) | C4B | O3B | Zn1B | 115.3(10) |
| O4A | Zn2A | O2A5 | 95.9(3) | C4B | O4B | Zn2B | 119.5(12) |
| O4A | Zn2A | O5A | 83.8(3) | C4B | C3B | N1B | 110.5(11) |
| O4A3 | Zn2A | O6A3 | 124.6(5) | C4B | C3B | C7B | 110.4(14) |
| O4A | Zn2A | N3A | 107.5(4) | O4B | C4B | C3B | 115.3(12) |
| C3A | N1A | Zn1A | 108.3(5) | C3B | N1B | Zn1B | 108.4(8) |
| C7A | C3A | N1A | 112.7(7) | C7B | C3B | N1B | 113.2(12) |
| O7A | C8A | C7A | 121.3(9) | O7B | C8B | C7B | 118.6(16) |
| O7A | C8A | O8A | 120.9(10) | O7B | C8B | O8B | 122.4(19) |
| C8A | C7A | C3A2 | 112.2(8) | C8B | C7B | C3B | 111.3(13) |
| C8A | O8A | Zn1A4 | 112.1(9) | O8B | C8B | C7B | 116.5(17) |
| O8A | C8A | C7A | 117.2(10) | N2B | Zn1B | N1B | 108.0(6) |
| O8A | Zn1A | N1A | 138.8(3) | N2B | Zn1B | O3B | 91.5(7) |
| O8A | Zn1A | O1A | 96.0(4) | N2B | C9B | C10B | 120.8(15) |
| O8A | Zn1A | O3A | 95.0(3) | N2B | C13B | C12B | 120.1(11) |
| O8A | Zn1A | N2A | 111.7(4) | C9B | N2B | Zn1B | 120.0(11) |
| N2A | Zn1A | N1A | 109.4(3) | C9B | N2B | C13B | 118.6(12) |
| N2A | Zn1A | O1A | 97.4(4) | C10B | C11B | C16B | 117.2(12) |
| N2A | Zn1A | O3A | 93.8(3) | C11B | C10B | C9B | 117.6(15) |
| N2A | C9A | C10A | 123.9(10) | C11B | C12B | C13B | 118.2(12) |
| N2A | C13A | C12A | 121.1(9) | C12B | C11B | C10B | 121.1(14) |
| C9A | N2A | Zn1A | 120.3(6) | C12B | C11B | C16B | 121.4(11) |
| C9A | N2A | C13A | 116.9(8) | C13B | N2B | Zn1B | 121.2(10) |
| C10A | C11A | C16A | 119.3(8) | N3B | C14B | C15B | 126.7 |
| C11A | C10A | C9A | 116.9(9) | N3B | C18B | C17B | 123.4 |
| C11A | C12A | C13A5 | 120.7(9) | C14B | N3B | C18B | 113.8 |
| C12A | C11A | C10A | 118.9(8) | C15B | C16B | C11B | 119.3(7) |
| C12A3 | C11A | C16A | 121.8(8) | C16B | C15B | C14B | 117.2 |
| C13A3 | N2A | Zn1A | 122.6(6) | C16B | C17B | C18B | 119.9 |
| N3A | C14A | C15A | 123.8(9) | C17B | C16B | C11B | 121.8(7) |
| N3A | C18A | C17A | 121.5(9) | C17B | C16B | C15B | 118.7 |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| H1AN | 11167(5) | 10551(5) | 2528(9) | 17(15) |
| H2A | 12253 | 8538 | 3194 | 44 |
| H5A1 | 12248 | 10321 | 3821 | 55 |
| H5A2 | 13759 | 9931 | 3672 | 55 |
| H3A | 9987 | 8566 | 3198 | 60 |
| H7A1 | 8750 | 9994 | 3765 | 62 |
| H7A2 | 10291 | 10366 | 3820 | 62 |
| H9A | 9935 | 9496 | 451 | 96 |
| H10A | 9524 | 11191 | -223 | 103 |
| H12A | 12541 | 12901 | 669 | 103 |
| H13A | 12641 | 11317 | 1423 | 100 |
| H14A | 12047 | 15891 | -713 | 80 |
| H15A | 12133 | 14396 | 92 | 71 |
| H17A | 10301 | 12077 | -1115 | 71 |
| H18A | 10192 | 13607 | -1892 | 76 |
| H1NB | 6334(5) | 10553(11) | 2524(17) | 30(6) |
| H2B | 7397 | 8543 | 3204 | 46 |
| H5B1 | 7268 | 10211 | 3895 | 56 |
| H5B2 | 8819 | 9982 | 3742 | 56 |
| H3B | 5125 | 8597 | 3210 | 60 |
| H7B1 | 3779 | 10056 | 3707 | 62 |
| H7B2 | 5290 | 10514 | 3782 | 62 |
| H9B | 5127 | 9566 | 565 | 100 |
| H10B | 4794 | 11012 | -175 | 105 |
| H12B | 7714 | 12878 | 678 | 118 |
| H13B | 7579 | 11473 | 1518 | 118 |
| H14B | 7124 | 15856 | -704 | 110 |
| H15B | 7252 | 14407 | 107 | 89 |
| H17B | 5313 | 12081 | -1071 | 93 |
| H18B | 5232 | 13606 | -1849 | 107 |
[RSC Journal Format]
Experimental
Single crystals of C18H15N3O8Zn2 [Zn(IDS)(bipy)] were recrystallised from [solvents] mounted in inert oil and transferred to the cold gas stream of the diffractometer.
Crystal structure determination of [Zn(IDS)(bipy)]
Crystal Data. C18H15N3O8Zn2, M =532.07, Orthorhombic, a = 10.0245(4) Å, b = 10.8912(4) Å, c = 20.7145(8) Å, U = 2261.59(15) Å3, T = 100(2), space group P212121 (no. 19), Z = 4, μ(Mo-Kα) = 1.958, 18672 reflections measured, 4880 unique (Rint = 0.0599) which were used in all calculations. The final wR(F2) was 0.2832 (all data).
This report has been created with Olex2, compiled on 2009.12.19 svn.r1037. Please let us know if there are any errors or if you would like to have additional featrues.