Information card for entry 7225182

Structure parameters

• Chemical name: dodeca(acetato)-hexa(chrysazinato)-hexa(N,N-dimethylformamide)-dodeca-cobalt(II) hexa(N,N'-dimethylformamide) solvate
• Formula: C144 H156 Co12 N12 O60
• Calculated formula: C126 H114 Co12 N6 O54
• SMILES: c12cccc3C(=O)c4cccc5[O]6[Co]789([O]%10c%11cccc%12C(=O)c%13cccc%14[O]%15[Co]%16%17%18([O]%19c%20cccc%21C(=O)c%22cccc%23[O]%24[Co]%25%26%27([O]%28c%29cccc%30C(=O)c%31cccc%32[O]%33[Co]%34%35%36([O]%37c%38cccc%39C(=O)c%40cccc%41[O]%42[Co]%43%44%45([O]%46c%47cccc%48C(=O)c%49cccc%50[O]%51[Co]%52%53%54([O]1[Co]1%51([O]=C([O]%53[Co]6%10([O]%52=C(c45)c23)([O]=C(O%54)C)[O]=C([O]8[Co]%15%19([O]=C([O]%17[Co]%24%28([O]%16=C(c%22%23)c%20%21)([O]=C(O%18)C)[O]=C([O]%26[Co]%33%37([O]=C([O]%35[Co]%42%46([O]%34=C(c%40%41)c%38%39)([O]=C(O%36)C)[O]=C([O]%441)C)C)([O]%25=C(c%31%32)c%29%30)[O]=C(O%27)C)C)C)([O]7=C(c%13%14)c%11%12)[O]=C(O9)C)C)C)([O]%43=C(c%49%50)c%47%48)[O]=C(O%45)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C)[O]=CN(C)C
• 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: 28.6873 ± 0.0009 Å
• b: 28.6873 ± 0.0009 Å
• c: 15.9087 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11338.2 ± 0.9 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No