Crystallography Open Database

Information card for entry 4331519

Preview

Coordinates	4331519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H13.5 Cl1.5 Cu F6 N3 O2
Calculated formula	C23.5 H13.5 Cl1.5 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	15.7479 ± 0.0014 Å
b	9.6616 ± 0.0008 Å
c	32.162 ± 0.003 Å
α	90°
β	94.283 ± 0.001°
γ	90°
Cell volume	4879.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0756
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4331519.cif
97676	2014-01-29	cif/ Adding structures of 4331517, 4331518, 4331519, 4331520 via cif-deposit CGI script.	4331519.cif