Crystallography Open Database

Information card for entry 4339485

Preview

Coordinates	4339485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cu3 N5 O3 S
Calculated formula	C7 H12 Cu3 N5 O3 S
Title of publication	New organically templated copper(I) sulfites: the role of sulfite anion as both soft and hard ligand.
Authors of publication	Li, Pei-Xin; Jiang, Hai-Long; Feng, Mei-Ling; Mao, Jiang-Gao
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8302 - 8308
a	7.452 ± 0.006 Å
b	8.103 ± 0.006 Å
c	11.452 ± 0.008 Å
α	82.32 ± 0.02°
β	88.47 ± 0.03°
γ	67.021 ± 0.012°
Cell volume	630.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1144
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179497 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94.	4339485.cif
117350	2014-06-14	cif/ Adding structures of 4339485 via cif-deposit CGI script.	4339485.cif