Crystallography Open Database

Information card for entry 4336250

Preview

Coordinates	4336250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H46 Ag F3 Ir2 N2 O3 S
Calculated formula	C43 H46 Ag F3 Ir2 N2 O3 S
Title of publication	Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents
Authors of publication	Christopher R. Turlington; Daniel P. Harrison; Peter S. White; Maurice Brookhart; Joseph L. Templeton
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11351 - 11360
a	8.5002 ± 0.0002 Å
b	24.2243 ± 0.0005 Å
c	12.2503 ± 0.0002 Å
α	90°
β	101.345 ± 0.001°
γ	90°
Cell volume	2473.19 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.036109
Residual factor for significantly intense reflections	0.035448
Weighted residual factors for all reflections included in the refinement	0.094271
Goodness-of-fit parameter for all reflections included in the refinement	1.04332
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179465 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/62.	4336250.cif
102227	2014-02-19	cif/ Adding structures of 4336250 via cif-deposit CGI script.	4336250.cif