Information card for entry 4329621

Structure parameters

• Common name: 11087a
• Formula: C31 H44 B2 N12 Ni2 O3
• Calculated formula: C31 H44 B2 N12 Ni2 O3
• SMILES: [Ni]123([n]4n([BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)c(cc4C)C)[O]=C1O[Ni]24([n]5n([BH](n6[n]2c(cc6C)C)n2[n]4c(cc2C)C)c(cc5C)C)[O]31
• Title of publication: Aerobic and Hydrolytic Decomposition of Pseudotetrahedral Nickel Phenolate Complexes
• Authors of publication: Tapash Deb; Gregory T. Rohde; Victor G. Young; Michael P. Jensen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7257 - 7270
• a: 8.053 ± 0.005 Å
• b: 30.944 ± 0.019 Å
• c: 8.073 ± 0.005 Å
• α: 90°
• β: 113.82 ± 0.006°
• γ: 90°
• Cell volume: 1840 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No