Crystallography Open Database

Information card for entry 7703411

Preview

Coordinates	7703411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 I Ir N2 S3
Calculated formula	C23 H24 I Ir N2 S3
Title of publication	Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases.
Authors of publication	Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	7
Pages of publication	2264 - 2272
a	24.1194 ± 0.0003 Å
b	9.1793 ± 0.0001 Å
c	23.3012 ± 0.0004 Å
α	90°
β	113.303 ± 0.002°
γ	90°
Cell volume	4738.04 ± 0.13 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
248967 (current)	2020-03-05	cif/ Updating files of 7703409, 7703410, 7703411, 7703412 Original log message: Adding full bibliography for 7703409--7703412.cif.	7703411.cif
247403	2020-01-31	cif/ Adding structures of 7703409, 7703410, 7703411, 7703412 via cif-deposit CGI script.	7703411.cif