Information card for entry 7715187

Structure parameters

• Formula: C40 H29 Cl2 Co I4 N7 O8
• Calculated formula: C40 H29 Cl2 Co I4 N7 O8
• Title of publication: How the spin state tunes the slow magnetic relaxation field dependence in spin crossover cobalt(II) complexes.
• Authors of publication: Rabelo, Renato; Toma, Luminita; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Cangussu, Danielle; Ruiz-García, Rafael; Cano, Joan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5507 - 5520
• a: 12.5152 ± 0.0003 Å
• b: 39.5528 ± 0.0008 Å
• c: 18.4447 ± 0.0004 Å
• α: 90°
• β: 92.044 ± 0.001°
• γ: 90°
• Cell volume: 9124.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No