Crystallography Open Database

Information card for entry 7217192

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Coordinates	7217192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Cl F4 Ir N14 O
Calculated formula	C54 H48 Cl F4 Ir N14 O
Title of publication	Triazole-directed hydrogen-bonded structures of cationic iridium(iii) complexes
Authors of publication	Rawson, Jeremy M.; Donato, Loïc; Zysman-Colman, Eli
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	36
Pages of publication	8531
a	12.4555 ± 0.001 Å
b	14.7313 ± 0.0012 Å
c	15.9151 ± 0.0012 Å
α	63.621 ± 0.002°
β	81.425 ± 0.002°
γ	83.341 ± 0.002°
Cell volume	2582.8 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.0497
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180502 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/71.	7217192.cif
123404	2014-09-08	cif/ Updating files of 7217192 Original log message: Adding full bibliography for 7217192.cif.	7217192.cif
120666	2014-07-23	cif/ Adding structures of 7217192 via cif-deposit CGI script.	7217192.cif