Information card for entry 4333279

Structure parameters

• Formula: C57 H55 Co N9 O7
• Calculated formula: C56.94 H36.98 Co N8.98 O6.98
• 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: 13.8982 ± 0.0011 Å
• b: 14.1768 ± 0.0011 Å
• c: 15.0948 ± 0.0011 Å
• α: 94.089 ± 0.002°
• β: 101.607 ± 0.002°
• γ: 112.116 ± 0.002°
• Cell volume: 2663.3 ± 0.4 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: 0.0822
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7848 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No