Crystallography Open Database

Information card for entry 7019626

7019625 << 7019626 >> 7019627

Preview

Coordinates	7019626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 Cu2 N2 O12
Calculated formula	C18 H31 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	8.7407 ± 0.0001 Å
b	33.9886 ± 0.0004 Å
c	8.6771 ± 0.0001 Å
α	90°
β	107.725 ± 0.001°
γ	90°
Cell volume	2455.46 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0436
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	7019626.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019626.cif
62926	2012-07-09	cif/ Adding structures of 7019624, 7019625, 7019626, 7019627 via cif-deposit CGI script.	7019626.cif