Crystallography Open Database

Information card for entry 4082262

Preview

Coordinates	4082262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 Ni O2 P2
Calculated formula	C20 H36 Ni O2 P2
SMILES	[Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)CC
Title of publication	New Pincer-Type Diphosphinito (POCOP) Complexes of Nickel
Authors of publication	Pandarus, Valerica; Zargarian, Davit
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	17
Pages of publication	4321
a	9.7318 ± 0.0002 Å
b	16.9949 ± 0.0004 Å
c	14.0405 ± 0.0003 Å
α	90°
β	103.733 ± 0.001°
γ	90°
Cell volume	2255.79 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178711 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22.	4082262.cif
99262	2014-01-30	cif/ Adding structures of 4082262 via cif-deposit CGI script.	4082262.cif