Crystallography Open Database

Information card for entry 4331518

Preview

Coordinates	4331518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cu N3 O2
Calculated formula	C23 H19 Cu 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	8.4016 ± 0.0005 Å
b	28.5805 ± 0.0018 Å
c	16.3187 ± 0.001 Å
α	90°
β	95.745 ± 0.001°
γ	90°
Cell volume	3898.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0986
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4331518.cif
97676	2014-01-29	cif/ Adding structures of 4331517, 4331518, 4331519, 4331520 via cif-deposit CGI script.	4331518.cif