Crystallography Open Database

Information card for entry 7208000

7207999 << 7208000 >> 7208001

Preview

Coordinates	7208000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 B2 Cu6 N16 O S10 W2
Calculated formula	C38 H54 B2 Cu6 N16 O S10 W2
Title of publication	Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3]
Authors of publication	Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	11
Pages of publication	4027
a	10.603 ± 0.002 Å
b	12.39 ± 0.003 Å
c	12.774 ± 0.003 Å
α	80.25 ± 0.03°
β	70.91 ± 0.03°
γ	67.35 ± 0.03°
Cell volume	1461.7 ± 0.7 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.629
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7208000.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208000.cif
60416	2012-06-14	cif/ Adding structures of 7207999, 7208000 via cif-deposit CGI script.	7208000.cif