Crystallography Open Database

Information card for entry 7016096

Preview

Coordinates	7016096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 B Br2 Cu3 N19 O0.5 S3 W
Calculated formula	C25 H42 B Br2 Cu3 N19 O0.5 S3 W
Title of publication	Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.
Authors of publication	Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	31
Pages of publication	7983 - 7992
a	17.683 ± 0.004 Å
b	22.969 ± 0.005 Å
c	25.06 ± 0.005 Å
α	90°
β	109.09 ± 0.03°
γ	90°
Cell volume	9619 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7016096.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016096.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016096.cif
23629	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7016093, 7016094, 7016095, 7016096 via cif-deposit CGI script.	7016096.cif