Information card for entry 4322185

Structure parameters

• Formula: C4 H4.5 Cu O6.25
• Calculated formula: C4 H4 Cu0.833333 O6.25
• Title of publication: First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
• Authors of publication: Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3716 - 3720
• a: 16.2535 ± 0.0011 Å
• b: 16.2535 ± 0.0011 Å
• c: 8.1426 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2151.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.1126
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No