Information card for entry 8103334

Structure parameters

• Formula: C160 H152 Cu8 N16 O68
• Calculated formula: C160 H152 Cu8 N16 O68
• Title of publication: Crystal structure of diaquabis(m-4-hydroxyphthalato-k2O,O')bis(1,10-phenanthroline-k2N,N')dicopper(II) pentahydrate, [Cu(H2O)(C12H8N2)(C8H4O5)]2 · 5H2O
• Authors of publication: Bo Xiao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 149
• a: 20.423 ± 0.004 Å
• b: 12.0232 ± 0.0019 Å
• c: 16.219 ± 0.003 Å
• α: 90°
• β: 94.18 ± 0.019°
• γ: 90°
• Cell volume: 3972 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No