Information card for entry 1550026

Structure parameters

• Formula: C58.12 H52.25 Cl0.25 F6 Ir N8 P
• Calculated formula: C58.125 H52.25 Cl0.25 F6 Ir N8 P
• Title of publication: Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions
• Authors of publication: Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2018
• a: 12.7322 ± 0.0006 Å
• b: 16.8417 ± 0.001 Å
• c: 26.2843 ± 0.0012 Å
• α: 77.893 ± 0.003°
• β: 84.194 ± 0.002°
• γ: 78.728 ± 0.003°
• Cell volume: 5393.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No