Crystallography Open Database

Information card for entry 4341914

4341913 << 4341914 >> 4341915

Preview

Coordinates	4341914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 F5 Ir N4 O
Calculated formula	C36 H24 F5 Ir N4 O
Title of publication	N-Heterocyclic Carbenes: Versatile Second Cyclometalated Ligands for Neutral Iridium(III) Heteroleptic Complexes.
Authors of publication	Li, Tian-Yi; Liang, Xiao; Zhou, Liang; Wu, Chen; Zhang, Song; Liu, Xuan; Lu, Guang-Zhao; Xue, Li-Sha; Zheng, You-Xuan; Zuo, Jing-Lin
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	161 - 173
a	31.7027 ± 0.0008 Å
b	31.7027 ± 0.0008 Å
c	12.3108 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	12373.1 ± 0.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179522 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19.	4341914.cif
130599	2015-02-04	cif/ Updating files of 4341905, 4341906, 4341907, 4341908, 4341909, 4341910, 4341911, 4341912, 4341913, 4341914 Original log message: Adding full bibliography for 4341905--4341914.cif.	4341914.cif
128622	2014-12-13	cif/ Adding structures of 4341914 via cif-deposit CGI script.	4341914.cif