Information card for entry 7702829

Structure parameters

• Formula: C42 H51 B2 Cu2 N12 O14
• Calculated formula: C42 H33 B2 Cu2 N12 O14
• 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: 12.02 ± 0.002 Å
• b: 12.02 ± 0.002 Å
• c: 57.228 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7161 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections: 0.1803
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No