Information card for entry 7211904

Structure parameters

• Formula: C18 H66 Cl N12 Ni2 O38 V15
• Calculated formula: C18 H60 Cl N12 Ni2 O38 V15
• SMILES: [C@H]1(C[NH2][Ni]23([NH2]1)([NH2][C@@H](C[NH2]2)C)[NH2][C@@H](C[NH2]3)C)C.O1[V]23(=O)[O]4[V]56([O]7[V]89([O]5[V]54(=O)[O]4[V]%101(=O)[O]1[V]%114([O]4[V](O8)(=O)([O]8[V]%12%13(=O)[O]9[V]97([O]7[V]%14(O[V]%15%16(=O)[O]%17[V]%18(=O)([O]%14[V]7([O]26)(=O)[O]3%18)[O]%10[V]1%17([O]%15[V]48(=O)[O]%13%16)=O)(=O)[O]%129)=O)[O]5%11)=O)=O)=O.[Cl-].O.[C@@H]1(C[NH2][Ni]23([NH2]1)([NH2][C@H](C[NH2]2)C)[NH2][C@H](C[NH2]3)C)C.O
• Title of publication: Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates
• Authors of publication: Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 242
• a: 12.6031 ± 0.0009 Å
• b: 12.6031 ± 0.0009 Å
• c: 22.563 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3103.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No