Crystallography Open Database

Information card for entry 4083266

Preview

Coordinates	4083266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H47 B Cl Ir N4
Calculated formula	C43 H47 B Cl Ir N4
Title of publication	Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes
Authors of publication	Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6270
a	13.338 ± 0.0002 Å
b	14.6435 ± 0.0002 Å
c	18.9118 ± 0.0003 Å
α	90°
β	95.442 ± 0.001°
γ	90°
Cell volume	3677.11 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0491
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4083266.cif
113689	2014-05-13	cif/ Adding structures of 4083265, 4083266, 4083267, 4083268, 4083269, 4083270, 4083271, 4083272 via cif-deposit CGI script.	4083266.cif