Crystallography Open Database

Information card for entry 4347132

Preview

Coordinates	4347132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C133.5 H133 B4 Cl4 Cu12 F6 N24 O0 P7 S24 W4
Calculated formula	C133.5 H133 B4 Cl4 Cu12 F6 N24 P7 S24 W4
Title of publication	Diverse Tp*-Capped W-Cu-S Clusters from One-Pot Assembly Involving in Situ Thiolation of Phosphines.
Authors of publication	Zhao, Xin; Zhou, Feng; Liu, Quan; Chen, Qiu-Fang; Yang, Jun-Yi; Zhang, Wen-Hua; Song, Ying-Lin; Lang, Jian-Ping
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1861 - 1871
a	18.4883 ± 0.0003 Å
b	18.4883 ± 0.0003 Å
c	46.7635 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	13843 ± 0.5 Å³
Cell temperature	285 ± 2 K
Ambient diffraction temperature	285 ± 2 K
Number of distinct elements	11
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
232179 (current)	2019-11-23	cif/ Adding structures of 4347127, 4347128, 4347129, 4347130, 4347131, 4347132 via cif-deposit CGI script.	4347132.cif