Information card for entry 7223407

Structure parameters

• Formula: C7 H15 Cl5 Co N2
• Calculated formula: C7 H15 Cl5 Co N2
• Title of publication: Synthesis, characterization and disorder‒order phase transition of inorganic‒organic hybrid materials (H2dabco-CH2-Cl)[MIICl4] (M = Co, Zn)
• Authors of publication: Chen, Chun-Hong; Xu, Guan-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 550
• a: 11.178 ± 0.011 Å
• b: 10.166 ± 0.01 Å
• c: 12.216 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1388 ± 2 ų
• Cell temperature: 358 ± 2 K
• Ambient diffraction temperature: 358 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No