Information card for entry 7036750

Structure parameters

• Formula: C20 H12 Co N10 O4
• Calculated formula: C20 H12 Co N10 O4
• SMILES: [Co]1234(N(C(=O)c5[n]1ccnc5)C(=O)c1[n]4ccnc1)N(C(=O)c1cncc[n]31)C(=O)c1cncc[n]21
• Title of publication: Pressure induced separation of phase-transition-triggered-abrupt vs. gradual components of spin crossover.
• Authors of publication: Miller, Reece G.; Narayanaswamy, Suresh; Clark, Simon M.; Dera, Przemslaw; Jameson, Geoffrey B.; Tallon, Jeffery L.; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20843 - 20849
• a: 8.556 ± 0.005 Å
• b: 26.63 ± 0.014 Å
• c: 8.13 ± 0.005 Å
• α: 90°
• β: 90.8 ± 0.03°
• γ: 90°
• Cell volume: 1852.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1043
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2863
• Weighted residual factors for all reflections included in the refinement: 0.287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.4133 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No