Information card for entry 2222885

Structure parameters

• Chemical name: [1-(4-Hydroxy-2-oxidobenzylidene)-4-phenylthiosemicarbazonato- κ^3^<i>N</i>,<i>O</i>,<i>S</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')zinc(II)‒4,4'-bipyridine (2/1)
• Formula: C62 H46 N12 O4 S2 Zn2
• Calculated formula: C62 H46 N12 O4 S2 Zn2
• SMILES: c12cc(ccc1C=[N]1N=C(Nc3ccccc3)S[Zn]31([n]1cccc4c1c1[n]3cccc1cc4)O2)O.n1ccc(cc1)c1ccncc1.c12cc(ccc1C=[N]1N=C(Nc3ccccc3)S[Zn]31([n]1cccc4ccc5ccc[n]3c5c14)O2)O
• Title of publication: [1-(4-Hydroxy-2-oxidobenzylidene)-4-phenylthiosemicarbazonato-κ^3^<i>N</i>,<i>O</i>,<i>S</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)‒4,4'-bipyridine (2/1)
• Authors of publication: Tan, Kong Wai; Ng, Chew Hee; Maah, Mohd Jamil; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m920
• a: 11.6372 ± 0.0006 Å
• b: 9.8376 ± 0.0005 Å
• c: 23.288 ± 0.001 Å
• α: 90°
• β: 92.417 ± 0.003°
• γ: 90°
• Cell volume: 2663.7 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes