Information card for entry 4088268

Structure parameters

• Formula: C68 H66 F24 N10 P4
• Calculated formula: C64 H60 F12 N8 P2
• SMILES: c1n(c2c([n+]1c1ccc(cc1)[C@H]1[C@H](c3ccc(n4c[n+](c5ccccc45)CC)cc3)[C@H](c3ccc([n+]4cn(c5c4cccc5)CC)cc3)[C@H]1c1ccc(n3c[n+](c4ccccc34)CC)cc1)cccc2)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Photochemical Modification of Carbene-Based Metallacycles: A Facile Route to Polycarbene Complexes and Their Derivatives
• Authors of publication: Wang, Chun-Xiang; Gao, Yang; Deng, Yu-Xin; Lin, Yue-Jian; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5801
• a: 11.0245 ± 0.0004 Å
• b: 12.2969 ± 0.0006 Å
• c: 15.1731 ± 0.0006 Å
• α: 79.298 ± 0.004°
• β: 72.394 ± 0.003°
• γ: 65.183 ± 0.004°
• Cell volume: 1775.46 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No