Crystallography Open Database

Information card for entry 7205829

7205828 << 7205829 >> 7205830

Preview

Coordinates	7205829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cu2 N6 S4
Calculated formula	C22 H26 Cu2 N6 S4
Title of publication	Four novel metal coordination polymers directed by 1,1′-dibutyl-4,4′-bipyridinium dibromide (BBP) and their framework dependent luminescent properties
Authors of publication	Yue, Jun-Ming; Niu, Yun-Yin; Zhang, Bing; Ng, Seik-Weng; Hou, Hong-Wei
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2571
a	8.5848 ± 0.0014 Å
b	15.017 ± 0.002 Å
c	10.518 ± 0.0016 Å
α	90°
β	101.338 ± 0.003°
γ	90°
Cell volume	1329.5 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0627
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205829.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205829.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205829.cif
21024	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205829, 7205830, 7205831, 7205832 via cif-deposit CGI script.	7205829.cif