Information card for entry 4310389

Structure parameters

• Formula: C12 H58 B Co2 N12 O23 P4 V3
• Calculated formula: C12 H50 B Co2 N12 O27 P4 V3
• SMILES: [V]1234(O[V]567(O[V]89([O]27[B](OP(=O)(O3)O5)(OP(=O)(O6)O8)OP(=O)(O4)O9)(O1)=O)=O)=O.P(=O)(O)(O)[O-].[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O.O.O.O
• Title of publication: Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks
• Authors of publication: Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 559 - 565
• a: 32.8492 ± 0.0014 Å
• b: 11.9601 ± 0.0003 Å
• c: 22.6001 ± 0.0007 Å
• α: 90°
• β: 108.963 ± 0.0008°
• γ: 90°
• Cell volume: 8397.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No