Information card for entry 7238083

Structure parameters

• Formula: C38 H28 Co N6 S2
• Calculated formula: C38 H28 Co N6 S2
• Title of publication: Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues
• Authors of publication: Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel
• Journal of publication: J. Mater. Chem.
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2546
• a: 17.1637 ± 0.0002 Å
• b: 12.5575 ± 0.0002 Å
• c: 17.2701 ± 0.0002 Å
• α: 90 ± 0.005°
• β: 115.844 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3349.99 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No