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Information card for entry 1550024
Preview
Coordinates | 1550024.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54.25 H24 F20.75 Ir N8 O0.75 S0.25 |
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Calculated formula | C54.25 H24 F20.75 Ir N8 O0.75 S0.25 |
SMILES | [Ir]123(n4c5ccc4C(=c4[n]2c(C(=c2n1c(=C(c1[n]3c(=C5c3c(F)c(F)c(F)c(F)c3F)cc1)c1c(c(c(F)c(F)c1F)F)F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc4)c1c(F)c(F)c(F)c(F)c1F)(=C1N(C)C=CN1C)=C1N(C=CN1C)C.S(=O)(=O)([O-])C(F)(F)F |
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 | 24.7628 ± 0.0007 Å |
b | 23.6873 ± 0.0007 Å |
c | 39.6486 ± 0.0013 Å |
α | 90° |
β | 95.9405 ± 0.0017° |
γ | 90° |
Cell volume | 23131.5 ± 1.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1624 |
Residual factor for significantly intense reflections | 0.1073 |
Weighted residual factors for significantly intense reflections | 0.2648 |
Weighted residual factors for all reflections included in the refinement | 0.2863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
211369 (current) | 2018-10-11 | cif/ Adding structures of 1550023, 1550024, 1550025, 1550026 via cif-deposit CGI script. |
1550024.cif |
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Users of the data should acknowledge the original authors of the
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