Information card for entry 7702826

Structure parameters

• Formula: C18 H22 B Gd N8 O14
• Calculated formula: C18 H22 B Gd N8 O13
• 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: 9.735 ± 0.002 Å
• b: 12.401 ± 0.003 Å
• c: 15.351 ± 0.002 Å
• α: 106.92 ± 0.08°
• β: 90.5 ± 0.02°
• γ: 105.36 ± 0.02°
• Cell volume: 1702.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1601
• Weighted residual factors for significantly intense reflections: 0.1415
• Goodness-of-fit parameter for all reflections: 1.26
• Goodness-of-fit parameter for significantly intense reflections: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No