Crystallography Open Database

Information card for entry 7032787

Preview

Coordinates	7032787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H57 B Cu4 N14 O S3 W
Calculated formula	C45 H57 B Cu4 N14 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	17.767 ± 0.004 Å
b	17.553 ± 0.004 Å
c	18.214 ± 0.004 Å
α	90°
β	108.49 ± 0.03°
γ	90°
Cell volume	5387 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0944
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	7032787.cif
131076	2015-02-04	cif/ Updating files of 7032785, 7032786, 7032787, 7032788 Original log message: Adding full bibliography for 7032785--7032788.cif.	7032787.cif
125198	2014-10-10	cif/ Adding structures of 7032785, 7032786, 7032787, 7032788 via cif-deposit CGI script.	7032787.cif