Information card for entry 7210195

Structure parameters

• Formula: C12 H76 B18 Cu3 N9 O73.5 V12
• Calculated formula: C12 H45 B18 Cu3 N9 O73.5 V12
• Title of publication: New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters
• Authors of publication: Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 5057
• a: 27.618 ± 0.003 Å
• b: 27.618 ± 0.003 Å
• c: 27.618 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21066 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No