Crystallography Open Database

Information card for entry 4334288

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Structure parameters

Common name	1
Formula	C30 H21 F12 N3
Calculated formula	C30 H21 F12 N3
SMILES	C1(CC(CC(C1)/N=C/c1c(cccc1C(F)(F)F)F)/N=C/c1c(cccc1C(F)(F)F)F)/N=C/c1c(cccc1C(F)(F)F)F
Title of publication	New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure
Authors of publication	Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3765 - 3771
a	22.953 ± 0.002 Å
b	15.1919 ± 0.0017 Å
c	8.0373 ± 0.0008 Å
α	90°
β	92.987 ± 0.006°
γ	90°
Cell volume	2798.8 ± 0.5 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	4
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	0.1388
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334288.cif
179445	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334288.cif
100105	2014-02-04	cif/ Adding structures of 4334288 via cif-deposit CGI script.	4334288.cif