Information card for entry 4082737

Structure parameters

• Formula: C30 H38 Gd N3 Si2
• Calculated formula: C30 H38 Gd N3 Si2
• SMILES: [Gd]123456789([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)([N]#Cc1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]8[cH]7[cH]6[cH]19
• Title of publication: Syntheses, Structure, and Properties of Mixed Cp‒Amidinate Rare-Earth-Metal(III) Complexes
• Authors of publication: Liu, Jun-Feng; Pan, Fu-Xing; Yao, Shuang; Min, Xue; Cui, Dongmei; Sun, Zhong-Ming
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1374
• a: 8.6048 ± 0.0005 Å
• b: 8.9205 ± 0.0004 Å
• c: 20.4268 ± 0.001 Å
• α: 89.145 ± 0.001°
• β: 86.127 ± 0.001°
• γ: 80.335 ± 0.001°
• Cell volume: 1542.15 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No