Information card for entry 7106847

Structure parameters

• Formula: C62 H80 Br2 Cd Mn Mo N22 O9
• Calculated formula: C62 H66 Br2 Cd Mn Mo N22 O9
• Title of publication: Spin crossover in the cyanide-bridged MoVMnIII single-chain magnet containing FeII cations
• Authors of publication: Jung Hee Yoon; Dae Won Ryu; Sang Yup Choi; Hyoung Chan Kim; Eui Kwan Koh; Jun Tao; Chang Seop Hong
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10416
• a: 10.7993 ± 0.0009 Å
• b: 14.0068 ± 0.0011 Å
• c: 24.4363 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 94.227 ± 0.004°
• Cell volume: 3686.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No