Information card for entry 4348727

Structure parameters

• Formula: C43 H71.5 Cl N3 Ni O0.25 P3 Ti
• Calculated formula: C43 H71.5 Cl N3 Ni O0.25 P3 Ti
• Title of publication: Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).
• Authors of publication: Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12137 - 12148
• a: 16.8903 ± 0.0011 Å
• b: 16.9247 ± 0.001 Å
• c: 19.5421 ± 0.0012 Å
• α: 91.954 ± 0.003°
• β: 101.682 ± 0.003°
• γ: 119.25 ± 0.003°
• Cell volume: 4714.9 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections: 0.1769
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9658
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No