Crystallography Open Database

Information card for entry 4082263

Preview

Coordinates	4082263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H31 Cl Ni O2 P2
Calculated formula	C18 H31 Cl Ni O2 P2
SMILES	[Ni]12(Cl)[P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C
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	12.9455 ± 0.0002 Å
b	12.9983 ± 0.0002 Å
c	13.4011 ± 0.0002 Å
α	78.455 ± 0.001°
β	76.121 ± 0.001°
γ	87.062 ± 0.001°
Cell volume	2144.86 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0935
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.	4082263.cif
99263	2014-01-30	cif/ Adding structures of 4082263 via cif-deposit CGI script.	4082263.cif