Crystallography Open Database

Information card for entry 1550025

Preview

Coordinates	1550025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H64 F6 Ir N8 P
Calculated formula	C54 H64 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	17.9784 ± 0.0006 Å
b	15.124 ± 0.0006 Å
c	19.0318 ± 0.0006 Å
α	90°
β	108.004 ± 0.002°
γ	90°
Cell volume	4921.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211369 (current)	2018-10-11	cif/ Adding structures of 1550023, 1550024, 1550025, 1550026 via cif-deposit CGI script.	1550025.cif