Crystallography Open Database

Information card for entry 4078705

Preview

Coordinates	4078705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H94 Cl2 P4 Ru2 S2
Calculated formula	C93 H94 Cl2 P4 Ru2 S2
Title of publication	Synthesis and Characterization of Dithia[3.3]paracyclophane-Bridged Binuclear Ruthenium Vinyl and Alkynyl Complexes
Authors of publication	Xia, Jian-Long; Man, Wing Y.; Zhu, Xinxun; Zhang, Chan; Jin, Guo-Jun; Schauer, Phil A.; Fox, Mark A.; Yin, Jun; Yu, Guang-Ao; Low, Paul J.; Liu, Sheng Hua
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5321
a	20.4758 ± 0.0012 Å
b	30.847 ± 0.0018 Å
c	13.1932 ± 0.0007 Å
α	90°
β	96.847 ± 0.001°
γ	90°
Cell volume	8273.6 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0687
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
178676 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/87.	4078705.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078705.cif
66370	2012-09-09	cif/ Adding structures of 4078705 via cif-deposit CGI script.	4078705.cif