Information card for entry 7702828

Structure parameters

• Formula: C30 H40.5 B Cl Co N9 O12
• Calculated formula: C30 H40.373 B Cl Co N9 O12
• Title of publication: Metal complexes of 3-carboxyethyl substituted trispyrazolylborates: interactions with the ester carbonyl oxygens
• Authors of publication: Hammes, Brian S.; Luo, Xuemei; Chohan, Balwant S.; Carrano, Mary W.; Carrano, Carl J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3374
• a: 10.601 ± 0.0003 Å
• b: 12.1127 ± 0.0005 Å
• c: 16.241 ± 0.0005 Å
• α: 72.232 ± 0.002°
• β: 75.474 ± 0.002°
• γ: 72.263 ± 0.002°
• Cell volume: 1862.71 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1603
• Weighted residual factors for significantly intense reflections: 0.1476
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No