Information card for entry 4322272

Structure parameters

• Formula: C24 H16 Cu Mo4 N4 O13
• Calculated formula: C24 H16 Cu Mo4 N4 O13
• Title of publication: Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides
• Authors of publication: Pamela J. Hagrman; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4480 - 4485
• a: 10.5218 ± 0.0003 Å
• b: 12.1113 ± 0.0004 Å
• c: 22.0125 ± 0.0007 Å
• α: 90°
• β: 97.99°
• γ: 90°
• Cell volume: 2777.88 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections: 0.1617
• Weighted residual factors for significantly intense reflections: 0.1484
• Goodness-of-fit parameter for all reflections: 0.958
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No