Crystallography Open Database

Information card for entry 7236188

Preview

Coordinates	7236188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N2 O6 S
Calculated formula	C12 H12 Cu N2 O6 S
Title of publication	Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties
Authors of publication	Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	51
Pages of publication	46030
a	7.0081 ± 0.0003 Å
b	13.8198 ± 0.0007 Å
c	14.2897 ± 0.0008 Å
α	90°
β	99.282 ± 0.005°
γ	90°
Cell volume	1365.84 ± 0.12 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0257
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for all reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0268
Weighted residual factors for all reflections included in the refinement	0.0267
Goodness-of-fit parameter for all reflections included in the refinement	1.0787
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235245 (current)	2019-11-23	cif/ Adding structures of 7236188 via cif-deposit CGI script.	7236188.cif