Information card for entry 7210690

Structure parameters

• Formula: C53 H40 Co N10 O S2
• Calculated formula: C53 H40 Co N10 O S2
• SMILES: [Co]12([n]3c(cc(c4ccc(n5nccc5)cc4)cc3c3ccccc3)c3[n]1cccc3)([n]1c(c3ccccc3)cc(cc1c1[n]2cccc1)c1ccc(n2nccc2)cc1)(N=C=S)N=C=S.OC
• Title of publication: Metal cation- and anion-induced assembly: structures and luminescent properties
• Authors of publication: Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3687
• a: 12.194 ± 0.005 Å
• b: 12.533 ± 0.005 Å
• c: 15.864 ± 0.005 Å
• α: 86.325 ± 0.005°
• β: 71.489 ± 0.005°
• γ: 87.781 ± 0.005°
• Cell volume: 2293.9 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No