Information card for entry 2231675

Structure parameters

• Chemical name: (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole- κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Formula: C19 H14 Co N8 O S2
• Calculated formula: C19 H14 Co N8 O S2
• SMILES: [Co]1([n]2c3c(C(=O)c4c3[n]1ccc4)ccc2)([n]1c[nH]cc1)([n]1c[nH]cc1)(N=C=S)N=C=S
• Title of publication: (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Feng, Xiu-Ling; Zhang, Yu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1171
• a: 9.2239 ± 0.0009 Å
• b: 10.92 ± 0.001 Å
• c: 11.9441 ± 0.0012 Å
• α: 71.578 ± 0.001°
• β: 70.582 ± 0.001°
• γ: 73.931 ± 0.002°
• Cell volume: 1056.48 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2230977
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes