Information card for entry 8101965

Structure parameters

• Chemical name: aquabis(2,2'-bipyridine)bis(1,4-benzenedicarboxylato)dicopper(II)
• Formula: C36 H26 Cu2 N4 O9
• Calculated formula: C36 H26 Cu2 N4 O9
• Title of publication: Refinement of the crystal structure of aquabis(2,2'-bipyridine)bis (terephtalato)dicopper(II), Cu~2~(H~2~O)(C~10~H~8~N~2~)~2~(C~8~H~4~O~4~) ~2~
• Authors of publication: Wang, C.-C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 385 - 387
• a: 13.732 ± 0.003 Å
• b: 17.188 ± 0.003 Å
• c: 14.127 ± 0.003 Å
• α: 90°
• β: 104.57 ± 0.03°
• γ: 90°
• Cell volume: 3227.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No