Crystallography Open Database

Information card for entry 4327574

Preview

Coordinates	4327574.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dichloro(methoxydiphenylphosphine)(2-pyridylmethyldiphenylphosphine)nickel(II)
Formula	C31 H29 Cl2 N Ni O P2
Calculated formula	C31 H29 Cl2 N Ni O P2
SMILES	[Ni]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)Cc2[n]1cccc2)[P](OC)(c1ccccc1)c1ccccc1
Title of publication	Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
Authors of publication	Joel T. Mague; Jamin L. Krinsky
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	1962 - 1971
a	14.9925 ± 0.0014 Å
b	11.4067 ± 0.0012 Å
c	17.417 ± 0.002 Å
α	90°
β	105.39 ± 0.009°
γ	90°
Cell volume	2871.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
179378 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/75.	4327574.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327574.cif
61396	2012-07-04	cif/ Adding structures of 4327574 via cif-deposit CGI script.	4327574.cif