Crystallography Open Database

Information card for entry 4339486

Preview

Coordinates	4339486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H18 Br Cu2 N2 Na O9 S2
Calculated formula	C4 H18 Br Cu2 N2 Na O9 S2
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	11.267 ± 0.004 Å
b	19.993 ± 0.009 Å
c	6.752 ± 0.003 Å
α	90°
β	90.592 ± 0.007°
γ	90°
Cell volume	1520.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0699
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4339486.cif
117351	2014-06-14	cif/ Adding structures of 4339486 via cif-deposit CGI script.	4339486.cif