Crystallography Open Database

Information card for entry 7019624

7019623 << 7019624 >> 7019625

Preview

Coordinates	7019624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Cu2 N2 O12
Calculated formula	C18 H32 Cu2 N2 O12
Title of publication	[(C(2)H(5))(3)NH](2)Cu(2)(C(2)O(4))(3): a three-dimensional metal-oxalato framework showing structurally related dielectric and magnetic transitions at around 165 K.
Authors of publication	Zhang, Bin; Zhang, Yan; Zhu, Daoben
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	28
Pages of publication	8509 - 8511
a	8.6987 ± 0.0001 Å
b	34.1408 ± 0.0004 Å
c	8.6081 ± 0.0001 Å
α	90°
β	107.578 ± 0.001°
γ	90°
Cell volume	2437.07 ± 0.05 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 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	0.0371
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179900 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/96.	7019624.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019624.cif
62926	2012-07-09	cif/ Adding structures of 7019624, 7019625, 7019626, 7019627 via cif-deposit CGI script.	7019624.cif