Crystallography Open Database

Information card for entry 7116077

Preview

Coordinates	7116077.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Xantphos Ni Dimethylfumarate
Formula	C48 H43 Ni O5 P2
Calculated formula	C48 H43 Ni O5 P2
Title of publication	Synthesis, mechanism of formation, and catalytic activity of Xantphos nickel pi-complexes
Authors of publication	Nicholas D. Staudaher; Ryan M. Stolley; Janis Louie
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	15577
a	11.827 ± 0.0002 Å
b	12.1552 ± 0.0002 Å
c	14.8937 ± 0.0003 Å
α	73.8372 ± 0.0009°
β	84.9154 ± 0.0012°
γ	76.8383 ± 0.0011°
Cell volume	2001.73 ± 0.06 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180274 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60.	7116077.cif
129001	2014-12-22	cif/ Adding structures of 7116076, 7116077, 7116078 via cif-deposit CGI script.	7116077.cif