Crystallography Open Database

Information card for entry 4503163

Preview

Coordinates	4503163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cu3 N2 O12 P2
Calculated formula	C12 H10 Cu3 N2 O12 P2
Title of publication	Copper Phosphonates based on 2-Phosphonic-isonicotinate: Structures and Magnetic Properties
Authors of publication	Yang, Yi-Fan; Ma, Yun-Sheng; Guo, Li-Rong; Zheng, Li-Min
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1213
a	15.913 ± 0.005 Å
b	6.016 ± 0.0016 Å
c	18.043 ± 0.005 Å
α	90°
β	90.518 ± 0.009°
γ	90°
Cell volume	1727.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0504
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503163.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503163.cif
41391	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503163 via cif-deposit CGI script.	4503163.cif