Crystallography Open Database

Information card for entry 4081648

Preview

Coordinates	4081648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 F6 N5 P
Calculated formula	C17 H14 F6 N5 P
SMILES	c1ncnn1c1ccc2ccc3ccc[n+](c3c2n1)CC=C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands
Authors of publication	Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5451
a	9.3475 ± 0.0008 Å
b	15.5518 ± 0.001 Å
c	12.473 ± 0.0009 Å
α	90°
β	91.797 ± 0.007°
γ	90°
Cell volume	1812.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.085
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1573
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178705 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/16.	4081648.cif
89777	2013-11-10	cif/ Adding structures of 4081635, 4081636, 4081637, 4081638, 4081639, 4081640, 4081641, 4081642, 4081643, 4081644, 4081645, 4081646, 4081647, 4081648 via cif-deposit CGI script.	4081648.cif