Information card for entry 7001649

Structure parameters

• Formula: C8 H40 B5 Co4 N5 O26 P4
• Calculated formula: C8 H40 B5 Co4 N5 O26 P4
• Title of publication: A novel non-centrosymmetric metallophosphate-borate compound via ionothermal synthesis
• Authors of publication: Lin, Zhuojia; Wragg, David S.; Lightfoot, Philip; Morris, Russell E.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5287 - 5289
• a: 6.7601 ± 0.0006 Å
• b: 7.5422 ± 0.0006 Å
• c: 34.822 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1775.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.6939 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No