Crystallography Open Database

Information card for entry 4341215

Preview

Coordinates	4341215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5
Calculated formula	C20.5 H16.5 Cl0.5 F1.5 Ir0.5 N O1.5 P S0.5
Title of publication	Activation of nitrogen brønsted acids: synthesis and reactivity of a new class of nitrogen Acid complexes.
Authors of publication	Bohle, D. Scott; Chua, Zhijie
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	20
Pages of publication	11160 - 11172
a	9.38 ± 0.008 Å
b	23.239 ± 0.019 Å
c	10.248 ± 0.008 Å
α	90°
β	95.498 ± 0.012°
γ	90°
Cell volume	2224 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	9
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1428
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2425
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341215.cif
126902	2014-11-12	cif/ Updating files of 4341213, 4341214, 4341215, 4341216, 4341217, 4341218, 4341219 Original log message: Adding full bibliography for 4341213--4341219.cif.	4341215.cif
124988	2014-10-07	cif/ Adding structures of 4341215 via cif-deposit CGI script.	4341215.cif