Crystallography Open Database

Information card for entry 1543951

Preview

Coordinates	1543951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 Ir N7 O5 P
Calculated formula	C40.99 H29 Ir N7 O4.99 P
Title of publication	Syntheses, structures and properties of cyclometalated iridium(III) complexes based on 2-phenyl-5-nitropyridyl and different strong-field ancillary ligands
Authors of publication	Rui Zhao; Feng-Ling Wang; Gao Liu; Xuan Shen; Xin Wang; Ting Yang; Zhao Qiu; Ying-Jie Zhang; Su Jing; Yan Xu; Dun-Ru Zhu
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	372 - 378
a	17.123 ± 0.0014 Å
b	12.2162 ± 0.0014 Å
c	38.296 ± 0.004 Å
α	90°
β	102.815 ± 0.002°
γ	90°
Cell volume	7811.1 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0679
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1543951.cif
185954	2016-08-23	cif/ Adding structures of 1543951 via cif-deposit CGI script.	1543951.cif