Crystallography Open Database

Information card for entry 4327575

Preview

Coordinates	4327575.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-Dichlorobis(2-pyridylmethyldiphenylphosphoryl)nickel(II)
Formula	C18 H16 Cl N Ni0.5 O P
Calculated formula	C18 H16 Cl N Ni0.5 O P
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	9.3775 ± 0.0016 Å
b	14.5589 ± 0.0015 Å
c	12.51 ± 0.0015 Å
α	90°
β	104.302 ± 0.012°
γ	90°
Cell volume	1655 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1251
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327575.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327575.cif
61397	2012-07-04	cif/ Adding structures of 4327575 via cif-deposit CGI script.	4327575.cif