Information card for entry 7714537

Structure parameters

• Formula: C66 H62 Cl4 Co2 N10 O18
• Calculated formula: C66 H62 Cl4 Co2 N10 O18
• Title of publication: Exploring a prototype for cooperative structural phase transition in cobalt(II) spin crossover compounds.
• Authors of publication: Deng, Yi-Fei; Wang, Yi-Nuo; Zhao, Xin-Hua; Zhang, Yuan-Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 699 - 705
• a: 14.1227 ± 0.0011 Å
• b: 14.6411 ± 0.0011 Å
• c: 16.7951 ± 0.0013 Å
• α: 90°
• β: 104.193 ± 0.003°
• γ: 90°
• Cell volume: 3366.7 ± 0.5 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No