Information card for entry 6000580

Structure parameters

• Formula: C5 H4 Cu Mo N O4
• Calculated formula: C5 H4 Cu0.98 Mo N O4
• Title of publication: Ligand influences on copper molybdate networks: The structures and magnetism of [Cu(3,4 '-bpy)MoO4], [Cu(3,3 '-bpy)(0.5)MoO4], and [Cu(4,4 '-bpy)(0.5)MoO4].1.5H(2)O
• Authors of publication: Randy S. Rarig; Robert Lam; Peter Y. Zavalij; J. Katana Ngala; Robert L. LaDuca,; John E. Greedan; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2124 - 2133
• a: 5.4397 ± 0.0012 Å
• b: 6.813 ± 0.0015 Å
• c: 10.727 ± 0.002 Å
• α: 73.909 ± 0.004°
• β: 78.839 ± 0.004°
• γ: 70.389 ± 0.004°
• Cell volume: 357.6 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No