Crystallography Open Database

Information card for entry 7039888

Preview

Coordinates	7039888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H40 N2 P2
Calculated formula	C42.5 H40 N2 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	10.016 ± 0.002 Å
b	12.061 ± 0.003 Å
c	16.103 ± 0.004 Å
α	104.466 ± 0.002°
β	107.161 ± 0.002°
γ	102.209 ± 0.002°
Cell volume	1712.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7039888.cif
184377	2016-07-12	cif/ Adding structures of 7039888, 7039889, 7039890, 7039891 via cif-deposit CGI script.	7039888.cif