Crystallography Open Database

Information card for entry 4318573

Preview

Coordinates	4318573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 B Cu2 F4 N6 O2
Calculated formula	C18 H40 B Cu2 F4 N6 O2
Title of publication	Synthesis and Characterization of Completely Delocalized Mixed-Valent Dicopper Complexes
Authors of publication	Rajeev Gupta; Zhi Hui Zhang; Douglas Powell; Michael P. Hendrich; A. S. Borovik
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5100 - 5106
a	11.2199 ± 0.0017 Å
b	11.7721 ± 0.0017 Å
c	20.188 ± 0.003 Å
α	97.184 ± 0.003°
β	100.535 ± 0.003°
γ	90.471 ± 0.003°
Cell volume	2599.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1458
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
179265 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/85.	4318573.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318573.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318573.cif
15290	2011-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4318573 via cif-deposit CGI script.	4318573.cif