Information card for entry 2237665

Structure parameters

• Chemical name: Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate
• Formula: C37 H34 Cu Fe N12 O4
• Calculated formula: C37 H34 Cu Fe N12 O4
• SMILES: [Fe](N=O)(C#N)(C#N)(C#N)(C#N)C#N.[Cu]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.OC.OC.O
• Title of publication: Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate
• Authors of publication: Rusanova, Julia A.; Nesterova, Oksana V.; Zubatyuk, Roman I.; Kozachuk, Olesia V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m212 - m213
• a: 11.1308 ± 0.0008 Å
• b: 14.7928 ± 0.0009 Å
• c: 23.1448 ± 0.0017 Å
• α: 90°
• β: 90.916 ± 0.008°
• γ: 90°
• Cell volume: 3810.4 ± 0.5 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: 0.1008
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes