Crystallography Open Database

Information card for entry 4342652

Preview

Coordinates	4342652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 F6 N4 Ni0.5 P
Calculated formula	C9 H12 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	7.507 ± 0.003 Å
b	9.79 ± 0.005 Å
c	10.442 ± 0.005 Å
α	63.75 ± 0.013°
β	71.023 ± 0.012°
γ	75.947 ± 0.013°
Cell volume	646.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0265
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4342652.cif
138081	2015-06-05	cif/ Updating files of 4342652, 4342653, 4342654, 4342655 Original log message: Adding full bibliography for 4342652--4342655.cif.	4342652.cif
133779	2015-03-11	cif/ Adding structures of 4342652, 4342653, 4342654, 4342655 via cif-deposit CGI script.	4342652.cif