Information card for entry 4302182

Structure parameters

• Formula: C33 H56 Cl2 N4 Ni3 O14
• Calculated formula: C33 H56 Cl2 N4 Ni3 O14
• Title of publication: (Ni2), (Ni3), and (Ni2+ Ni3): A Unique Example of Isolated and Cocrystallized Ni2 and Ni3 Complexes
• Authors of publication: Pampa Mukherjee; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4817 - 4827
• a: 10.4256 ± 0.0003 Å
• b: 20.4513 ± 0.0007 Å
• c: 10.8823 ± 0.0003 Å
• α: 90°
• β: 105.031 ± 0.003°
• γ: 90°
• Cell volume: 2240.9 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No