Information card for entry 7225183

Structure parameters

• Chemical name: di(acetato)-di(chrysazinato)-pyridine-tri(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N-dimethylformamide) solvate
• Formula: C46 H44 Co3 N4 O15
• Calculated formula: C46 H44 Co3 N4 O15
• SMILES: [Co]12345[O]6[Co]7(Oc8c9C=6c6c([O]1[Co]1([O]3=C3c%10c([O]27)cccc%10C(=O)c2c3c(O1)ccc2)([O]=CN(C)C)([O]=C(O5)C)[O]=CN(C)C)cccc6C(=O)c9ccc8)([O]=CN(C)C)([O]=C(O4)C)[n]1ccccc1
• Title of publication: Transition metal coordination complexes of chrysazin
• Authors of publication: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5121
• a: 12.3354 ± 0.0005 Å
• b: 12.8534 ± 0.0007 Å
• c: 14.3146 ± 0.0005 Å
• α: 91.265 ± 0.004°
• β: 97.978 ± 0.003°
• γ: 94.724 ± 0.004°
• Cell volume: 2238.71 ± 0.17 ų
• Cell temperature: 121 ± 1 K
• Ambient diffraction temperature: 121 ± 1 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: 0.0401
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No