Crystallography Open Database

Information card for entry 4123538

Preview

Coordinates	4123538.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPP)Ni(OCOOMe)
Formula	C33 H47 Ni O3 P3
Calculated formula	C33 H47 Ni O3 P3
Title of publication	Phosphinite-Ni(0) Mediated Formation of a Phosphide-Ni(II)-OCOOMe Species via Uncommon Metal-Ligand Cooperation.
Authors of publication	Kim, Yeong-Eun; Oh, Seohee; Kim, Seji; Kim, Onnuri; Kim, Jin; Han, Sang Woo; Lee, Yunho
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	13
Pages of publication	4280 - 4283
a	14.856 ± 0.0006 Å
b	14.9335 ± 0.0006 Å
c	30.0265 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6661.4 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
179037 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35.	4123538.cif
138201	2015-06-05	cif/ Updating files of 4123534, 4123535, 4123536, 4123537, 4123538, 4123539 Original log message: Adding full bibliography for 4123534--4123539.cif.	4123538.cif
134432	2015-03-27	cif/ Adding structures of 4123534, 4123535, 4123536, 4123537, 4123538, 4123539 via cif-deposit CGI script.	4123538.cif