Information card for entry 4339938

Structure parameters

• Formula: C52 H42 Co N6 O5
• Calculated formula: C52 H42 Co N6 O5
• Title of publication: Preparation and structure of three solvatomorphs of the polymer [Co(dbm)2(4ptz)]n: spin canting depending on the supramolecular organization.
• Authors of publication: Barrios, Leoní A; Ribas, Joan; Aromí, Guillem; Ribas-Ariño, Jordi; Gamez, Patrick; Roubeau, Olivier; Teat, Simon J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7154 - 7162
• a: 12.1547 ± 0.0005 Å
• b: 13.4488 ± 0.0005 Å
• c: 15.7972 ± 0.0007 Å
• α: 71.85 ± 0.002°
• β: 71.099 ± 0.002°
• γ: 70.895 ± 0.002°
• Cell volume: 2246.7 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.8457 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No