Crystallography Open Database

Information card for entry 4069799

Preview

Coordinates	4069799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 Cl F6 N5 Ni P
Calculated formula	C30 H33 Cl F6 N5 Ni P
Title of publication	New Pincer CC′C Complexes of Nickel(II) via Chloronickelation of Alkyne-Bearing N-Heterocyclic Carbenes
Authors of publication	Liu, Ailing; Zhang, Xiaoming; Chen, Wanzhi
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4868
a	11.5009 ± 0.0012 Å
b	16.2246 ± 0.0014 Å
c	17.8086 ± 0.0019 Å
α	90°
β	104.386 ± 0.001°
γ	90°
Cell volume	3218.8 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178586 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/97.	4069799.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069799.cif
40446	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069797, 4069798, 4069799 via cif-deposit CGI script.	4069799.cif