Information card for entry 7116002

Structure parameters

• Formula: C6 H11 Mn2 N3 S5 Sb2
• Calculated formula: C5.997 H11 Mn2 N3 S5 Sb2
• Title of publication: A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components
• Authors of publication: Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14960
• a: 12.5694 ± 0.0005 Å
• b: 12.3552 ± 0.0005 Å
• c: 20.8407 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3236.5 ± 0.2 ų
• Cell temperature: 323 ± 2 K
• Ambient diffraction temperature: 323 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No