Crystallography Open Database

Information card for entry 4342337

Preview

Coordinates	4342337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Cu14 O94.3
Calculated formula	C30 H50 Cu14 O94.3
Title of publication	Proton Conduction and Long-Range Ferrimagnetic Ordering in Two Isostructural Copper(II) Mesoxalate Metal-Organic Frameworks.
Authors of publication	Gil-Hernández, Beatriz; Savvin, Stanislav; Makhloufi, Gamall; Núñez, Pedro; Janiak, Christoph; Sanchiz, Joaquín
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1597 - 1605
a	8.0421 ± 0.0005 Å
b	16.7426 ± 0.0012 Å
c	17.833 ± 0.0012 Å
α	63.883 ± 0.003°
β	85.122 ± 0.004°
γ	84.756 ± 0.004°
Cell volume	2144.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	4342337.cif
132782	2015-03-04	cif/ Updating files of 4342337, 4342338 Original log message: Adding full bibliography for 4342337--4342338.cif.	4342337.cif
131199	2015-02-06	cif/ Adding structures of 4342337 via cif-deposit CGI script.	4342337.cif