Information card for entry 7017409

Structure parameters

• Common name: (Co(phen)2(HCTMCP)(H2O)).H2O.0.5MeCN
• Chemical name: [Co(phen)2(HCTMCP)(H2O)].H2O.0.5MeCN
• Formula: C37 H21.5 Co N10.5 O2
• Calculated formula: C37 H18 Co N10.5 O2
• Title of publication: Complexes of a hexa-nitrile dianion with neutral, chelating co-ligands: Self-assembly, structure and magnetism.
• Authors of publication: Kutasi, Anna M.; Turner, David R.; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12358 - 12367
• a: 10.713 ± 0.0004 Å
• b: 13.008 ± 0.0004 Å
• c: 13.5422 ± 0.0006 Å
• α: 92.719 ± 0.001°
• β: 95.09 ± 0.001°
• γ: 91.71 ± 0.002°
• Cell volume: 1876.51 ± 0.12 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No