Information card for entry 4321998

Structure parameters

• Formula: C5 H15 Co N O12
• Calculated formula: C5 H15 Co N O12
• Title of publication: First Row Transition Metal Complexes of 1-Methylcyclobutenedione, a Monosubstituted Squarate Ligand
• Authors of publication: Bert D. Alleyne; Hazel-Ann Hosein; Hema Jaggernauth; 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: 2416 - 2421
• a: 6.409 ± 0.005 Å
• b: 14.717 ± 0.01 Å
• c: 7.259 ± 0.006 Å
• α: 90°
• β: 114.73 ± 0.04°
• γ: 90°
• Cell volume: 621.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.2971
• Weighted residual factors for significantly intense reflections: 0.1643
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No