Crystallography Open Database

Information card for entry 4513981

Preview

Coordinates	4513981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H51 Fe N2 P
Calculated formula	C34 H51 Fe N2 P
Title of publication	Hydrophosphination of Unactivated Alkenes and Alkynes Using Iron(II): Catalysis and Mechanistic Insight
Authors of publication	Espinal-Viguri, Maialen; King, Andrew K.; Lowe, John P.; Mahon, Mary F.; Webster, Ruth L.
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	11
Pages of publication	7892
a	20.4853 ± 0.0002 Å
b	14.08083 ± 0.00013 Å
c	22.6949 ± 0.0003 Å
α	90°
β	95.5664 ± 0.001°
γ	90°
Cell volume	6515.47 ± 0.12 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188903 (current)	2016-12-05	cif/ Updating files of 4513981 Original log message: Adding full bibliography for 4513981.cif.	4513981.cif
187507	2016-10-23	cif/ Adding structures of 4513981 via cif-deposit CGI script.	4513981.cif