Crystallography Open Database

Information card for entry 1501615

Preview

Coordinates	1501615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 Cu F3 O6
Calculated formula	C21 H13 Cu F3 O6
Title of publication	Bond-valence approach to the copper-copper and copper-oxygen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-fluorobenzoato-O,O')-bis (2-fluorobenzoate-O) dicopper(II)
Authors of publication	Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout
Journal of publication	Zeitschrift für Kristallographie - Crystalline Materials
Year of publication	2000
Journal volume	215
Journal issue	1
Pages of publication	56 - 60
a	10.633 ± 0.003 Å
b	12.528 ± 0.003 Å
c	14.729 ± 0.003 Å
α	90 ± 0.02°
β	91.62 ± 0.04°
γ	90 ± 0.03°
Cell volume	1961.3 ± 0.8 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0539
Goodness-of-fit parameter for significantly intense reflections	1.0574
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501615.cif
174773	2016-01-22	cif/1/50/ (antanas@kurmis) Updating bibliography for entry 1501615.	1501615.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501615.cif
26834	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 1501615 via cif-deposit CGI script.	1501615.cif