Information card for entry 4112793

Structure parameters

• Formula: C75 H102 B Gd N2 O4 Si
• Calculated formula: C75 H102 B Gd N2 O4 Si
• SMILES: [Gd]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)C[Si](C)(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals
• Authors of publication: Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9182 - 9183
• a: 21.267 ± 0.002 Å
• b: 11.7644 ± 0.0009 Å
• c: 27.388 ± 0.002 Å
• α: 90°
• β: 92.317 ± 0.001°
• γ: 90°
• Cell volume: 6846.7 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No