Crystallography Open Database

Information card for entry 4331517

Preview

Coordinates	4331517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cl3 Cu F6 N3 O2
Calculated formula	C19 H11 Cu F6 N3 O2
Title of publication	Self-Assembly of Heteroleptic [Cu(dipyrrinato)(hfacac)] Complexes Directed by Fluorine−Fluorine Interactions
Authors of publication	Halper, Sara R.; Cohen, Seth M.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4139 - 4141
a	15.5323 ± 0.001 Å
b	9.6926 ± 0.0006 Å
c	16.0408 ± 0.0011 Å
α	90°
β	97.406 ± 0.001°
γ	90°
Cell volume	2394.8 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.068
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
179418 (current)	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 4/33/15.	4331517.cif
97676	2014-01-29	cif/ Adding structures of 4331517, 4331518, 4331519, 4331520 via cif-deposit CGI script.	4331517.cif