Crystallography Open Database

Information card for entry 7032785

Preview

Coordinates	7032785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 B Cu4 N11 O S3 W
Calculated formula	C26 H34 B Cu4 N11 O S3 W
Title of publication	Solvent effect-driven assembly of W/Cu/S cluster-based coordination polymers from the cluster precursor [Et4N][Tp*WS3(CuBr)3] and CuCN: isolation, structures and enhanced NLO responses.
Authors of publication	Liu, Quan; Ren, Zhi-Gang; Deng, Li; Zhang, Wen-Hua; Zhao, Xin; Sun, Zhen-Rong; Lang, Jian-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	130 - 137
a	22.3102 ± 0.0012 Å
b	10.539 ± 0.0009 Å
c	19.3846 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4557.8 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1755
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180033 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27.	7032785.cif
131076	2015-02-04	cif/ Updating files of 7032785, 7032786, 7032787, 7032788 Original log message: Adding full bibliography for 7032785--7032788.cif.	7032785.cif
125198	2014-10-10	cif/ Adding structures of 7032785, 7032786, 7032787, 7032788 via cif-deposit CGI script.	7032785.cif