Information card for entry 2215529

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-<i>κ</i>^2^<i>N</i>,<i>N'</i>)- bis(cyanido-<i>κ</i><i>C</i>)cobalt(III) bis(azido-<i>κ</i>^1^<i>N</i>)[1,2-bis(pyridine-2-carboxamido)benzene- <i>κ</i>^4^<i>N</i>]chromate(III) monohydrate
• Formula: C44 H30 Co Cr N16 O3
• Calculated formula: C44 H30 Co Cr N16 O3
• SMILES: [Co]12([n]3c4c5[n]2cccc5ccc4ccc3)([n]2c3c4[n]1cccc4ccc3ccc2)(C#N)C#N.[Cr]123(N(c4c(N3C(=O)c3[n]2cccc3)cccc4)C(=O)c2[n]1cccc2)(N=N#N)N=N#N.O
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')-bis(cyanido-κ<i>C</i>)cobalt(III) bis(azido-κ^1^<i>N</i>)[1,2-bis(pyridine-2-carboxamido)benzene-κ^4^<i>N</i>]chromate(III) monohydrate
• Authors of publication: Ni, Zhong-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2531 - m2532
• a: 12.488 ± 0.003 Å
• b: 20.633 ± 0.004 Å
• c: 16.152 ± 0.003 Å
• α: 90°
• β: 105.51 ± 0.03°
• γ: 90°
• Cell volume: 4010.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes