Information card for entry 7001099

Structure parameters

• Formula: C32 H32 Gd2 N2 S2
• Calculated formula: C32 H32 Gd2 N2 S2
• SMILES: [Gd]123456789(Sc%10c([NH2]1)cccc%10)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Facile construction of the guanidine substituent or guanidinate anionic ligand through addition of the adjacent amino group to carbodiimide
• Authors of publication: Zhang, Jie; Ma, Liping; Han, Yanan; Zhang, Fuyan Han Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3298 - 3305
• a: 16.413 ± 0.006 Å
• b: 10.823 ± 0.004 Å
• c: 17.526 ± 0.006 Å
• α: 90°
• β: 111.808 ± 0.004°
• γ: 90°
• Cell volume: 2890.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No