Information card for entry 4314517

Structure parameters

• Common name: 08066a
• Formula: C41 H51 B N6 Ni O2 S
• Calculated formula: C41 H51 B N6 Ni O2 S
• Title of publication: Steric Titration of Arylthiolate Coordination Modes at Pseudotetrahedral Nickel(II) Centers
• Authors of publication: Swarup Chattopadhyay; Tapash Deb; Jeffrey L. Petersen; Victor G. Young; Michael P. Jensen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 457 - 467
• a: 15.9841 ± 0.0019 Å
• b: 23.499 ± 0.003 Å
• c: 10.6851 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4013.4 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No