Crystallography Open Database

Information card for entry 7115082

Preview

Coordinates	7115082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Br2 Cu4 Mo N6 S4
Calculated formula	C30 H30 Br2 Cu4 Mo N6 S4
Title of publication	A new approach to superior optical limiting materials—planar ‘open’ heterothiometallic clusters
Authors of publication	Zhang, Chi; Song, Yinglin; Fung, B. M.; Xin, Xinquan; Xue, Ziling
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	9
Pages of publication	843
a	22.5496 ± 0.0001 Å
b	22.7445 ± 0.0003 Å
c	30.2498 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	15514.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115082.cif
118519	2014-06-30	cif/ Adding structures of 7115080, 7115081, 7115082 via cif-deposit CGI script.	7115082.cif