Crystallography Open Database

Information card for entry 4313695

Preview

Coordinates	4313695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cu3 N4 O12
Calculated formula	C10 H10 Cu3 N4 O12
Title of publication	Antiferromagnetic Three-Dimensional Order Induced by Carboxylate Bridges in a Two-Dimensional Network of [Cu3(dcp)2(H2O)4] Trimers
Authors of publication	Philippa King; Rodolphe Clérac; Christopher E. Anson; Claude Coulon; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3492 - 3500
a	11.633 ± 0.002 Å
b	9.6005 ± 0.0014 Å
c	6.923 ± 0.0017 Å
α	90°
β	106.01 ± 0.02°
γ	90°
Cell volume	743.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0557
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179198 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/36.	4313695.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313695.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313695.cif
6764	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313695 via cif-deposit CGI script.	4313695.cif