Crystallography Open Database

Information card for entry 4342653

Preview

Coordinates	4342653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 F6 N4 Ni0.5 P
Calculated formula	C17 H16 F6 N4 Ni0.5 P
Title of publication	Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.
Authors of publication	Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	7
Pages of publication	3211 - 3217
a	9.4116 ± 0.0004 Å
b	9.954 ± 0.0004 Å
c	11.2819 ± 0.0004 Å
α	109.69 ± 0.002°
β	101.917 ± 0.002°
γ	106.568 ± 0.002°
Cell volume	898.6 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.0477
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
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.	4342653.cif
138081	2015-06-05	cif/ Updating files of 4342652, 4342653, 4342654, 4342655 Original log message: Adding full bibliography for 4342652--4342655.cif.	4342653.cif
133779	2015-03-11	cif/ Adding structures of 4342652, 4342653, 4342654, 4342655 via cif-deposit CGI script.	4342653.cif