Crystallography Open Database

Information card for entry 7039891

Preview

Coordinates	7039891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.67 H41 Cl Ir N4.33 P2
Calculated formula	C44.666 H40.999 Cl Ir N4.33333 P2
Title of publication	Chiral amino-phosphine and amido-phosphine complexes of Ir and Mg. Catalytic applications in olefin hydroamination.
Authors of publication	Schmid, Bernhard; Frieß, Sibylle; Herrera, Alberto; Linden, Anthony; Heinemann, Frank W.; Locke, Harald; Harder, Sjoerd; Dorta, Romano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	30
Pages of publication	12028 - 12040
a	27.62 ± 0.005 Å
b	27.62 ± 0.005 Å
c	28.5419 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	18856 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.239
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
185318 (current)	2016-08-07	cif/ Updating files of 7039888, 7039889, 7039890, 7039891 Original log message: Adding full bibliography for 7039888--7039891.cif.	7039891.cif
184377	2016-07-12	cif/ Adding structures of 7039888, 7039889, 7039890, 7039891 via cif-deposit CGI script.	7039891.cif