Information card for entry 7203641

Structure parameters

• Formula: C25 H38 Cu N4 O14
• Calculated formula: C25 H32 Cu N4 O14
• Title of publication: A molecular ?back-flip?: the structural consequences of the crystal-to-crystal phase transition between [(phen)2CuCO3]?11H2O and [(phen)2CuCO3]?7H2O
• Authors of publication: Doyle, Robert P.; Nieuwenhuyzen, Mark; Kruger, Paul E.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 904
• a: 10.873 ± 0.002 Å
• b: 11.598 ± 0.002 Å
• c: 13.394 ± 0.003 Å
• α: 77.732 ± 0.009°
• β: 77.628 ± 0.005°
• γ: 70.025 ± 0.005°
• Cell volume: 1532.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No