Crystallography Open Database

Information card for entry 4332260

Preview

Coordinates	4332260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cu2 F12 O10
Calculated formula	C22 H28 Cu2 F12 O10
Title of publication	Structure and Magnetic Properties of a Hydroxo-Bridged Copper(II) Distorted Cubane Stabilized via Supramolecular Hydrogen Bonding with an Ionic Hexafluoroacetylacetonate
Authors of publication	Lopez, Nazario; Vos, Thomas E.; Arif, Atta M.; Shum, William W.; Noveron, Juan C.; Miller, Joel S.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4325 - 4327
a	24.7528 ± 0.0007 Å
b	14.8648 ± 0.0004 Å
c	18.6915 ± 0.0003 Å
α	90°
β	110.13 ± 0.0014°
γ	90°
Cell volume	6457.3 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179425 (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 4/33/22.	4332260.cif
98198	2014-01-29	cif/ Adding structures of 4332260 via cif-deposit CGI script.	4332260.cif