Information card for entry 8102527

Structure parameters

• Chemical name: monoaqua(5-bromoisophthaltate)(2,2'-bipyridine) cobalt(II) monohydrate, [Co(C~8~H~3~O~4~)(C~10~H~8~N~2~)(H~2~O]~n~.0.5n(H~2~O)
• Formula: C72 H56 Br4 Co4 N8 O22
• Calculated formula: C72 H52 Br4 Co4 N8 O22
• Title of publication: Crystal structure of monoaqua(5-bromoisophthalato)-(2,2'-bipyridine)cobalt(II) semihydrate, Co(H2O)(C8H3BrO4)(C10H8N2) · 0.5H2O
• Authors of publication: Yun-Ping Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 523
• a: 8.919 ± 0.003 Å
• b: 12.747 ± 0.004 Å
• c: 16.131 ± 0.005 Å
• α: 90°
• β: 99.194 ± 0.003°
• γ: 90°
• Cell volume: 1810.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No