Crystallography Open Database

Information card for entry 4078761

Preview

Coordinates	4078761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Ir N
Calculated formula	C21 H24 Ir N
Title of publication	Synthesis, Electrochemistry, and Reactivity of New Iridium(III) and Rhodium(III) Hydrides
Authors of publication	Hu, Yue; Li, Ling; Shaw, Anthony P.; Norton, Jack R.; Sattler, Wesley; Rong, Yi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5058
a	13.3885 ± 0.0011 Å
b	7.5832 ± 0.0006 Å
c	17.8084 ± 0.0014 Å
α	90°
β	111.513 ± 0.001°
γ	90°
Cell volume	1682.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078761.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078761.cif
66387	2012-09-09	cif/ Adding structures of 4078760, 4078761, 4078762, 4078763 via cif-deposit CGI script.	4078761.cif