Information card for entry 2017536

Structure parameters

• Chemical name: Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate
• Formula: C59 H73 Cl6 Co N3 O14 P2
• Calculated formula: C59.075 H73.15 Cl6.15 Co N3 O14 P2
• Title of publication: Tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(I) perchlorate dichloromethane disolvate and tris(<i>tert</i>-butyl isocyanide)bis[tris(4-methoxyphenyl)phosphine]cobalt(II) bis(perchlorate) dichloromethane disolvate: modification of a trigonal‒bipyramidal structure with change of metal oxidation state
• Authors of publication: Becker, Clifford A. L.; Black, Robert S.; Forbes, Roy P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m40 - m43
• a: 12.3461 ± 0.0003 Å
• b: 19.7566 ± 0.0005 Å
• c: 28.4452 ± 0.0007 Å
• α: 90°
• β: 92.818 ± 0.002°
• γ: 90°
• Cell volume: 6929.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes