Information card for entry 7702827

Structure parameters

• Formula: C42 H56 B2 Cl La N12 O16
• Calculated formula: C42 H56 B2 Cl La N12 O16
• 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: 9.931 ± 0.002 Å
• b: 11.477 ± 0.004 Å
• c: 12.852 ± 0.002 Å
• α: 72.04 ± 0.03°
• β: 88 ± 0.03°
• γ: 73.8 ± 0.04°
• Cell volume: 1336 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.1653
• Weighted residual factors for significantly intense reflections: 0.1525
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No