Information card for entry 4079598

Structure parameters

• Formula: C49 H62 Cl8 Cr2 N8
• Calculated formula: C49 H62 Cl8 Cr2 N8
• Title of publication: Preparation and Reactivity Study of Chromium(III), Iron(II), and Cobalt(II) Complexes of 1,3-Bis(imino)benzimidazol-2-ylidene and 1,3-Bis(imino)pyrimidin-2-ylidene
• Authors of publication: Thagfi, Jameel Al; Lavoie, Gino G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7351
• a: 12.7925 ± 0.0004 Å
• b: 15.2069 ± 0.0005 Å
• c: 14.7165 ± 0.0005 Å
• α: 90°
• β: 108.833 ± 0.0017°
• γ: 90°
• Cell volume: 2709.59 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No