Information card for entry 8103073

Structure parameters

• Formula: C62 H68 Hg3 N10 O38
• Calculated formula: C62 H68 Hg3 N10 O38
• Title of publication: Crystal structure of 4,4'-bipyridinium bis(pyridine-2,6-dicarboxylato)mercurate(II) — diaquabis- (6-carboxypyridine-2-carboxylato)mercury(II) — water (2:1:12), [C10H10N2]2[Hg(C7H3NO4)2]2 · Hg(H2O)2(C7H4NO4)2 · 12H2O
• Authors of publication: Hossein Aghabozorg; Sara Omidvar; Masoud Mirzaei; Behrouz Notash
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 123
• a: 33.741 ± 0.007 Å
• b: 9.3941 ± 0.0019 Å
• c: 23.32 ± 0.005 Å
• α: 90°
• β: 104.26 ± 0.03°
• γ: 90°
• Cell volume: 7164 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No