Information card for entry 4325269

Structure parameters

• Formula: C55 H84 B2 Mn2 N17 O4.5
• Calculated formula: C55 H84 B2 Mn2 N17 O4.5
• Title of publication: Synthesis and Characterization of Di- and Trivalent Pyrazolylborate β-Diketonates and Cyanometalates
• Authors of publication: Minao Tang; Dongfeng Li; Uma Prasad Mallik; Yuan-Zhu Zhang; Rodolphe Clérac; Gordon T. Yee; Myung-Hwan Whangbo; Amshumali Mungalimane; Stephen M. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5153 - 5164
• a: 11.3921 ± 0.0001 Å
• b: 15.0378 ± 0.0002 Å
• c: 19.0437 ± 0.0002 Å
• α: 87.6479 ± 0.0004°
• β: 77.8182 ± 0.0004°
• γ: 83.1053 ± 0.0004°
• Cell volume: 3165.48 ± 0.06 ų
• Cell temperature: 90 ± 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: 0.0977
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No