Crystallography Open Database

Information card for entry 4085189

Preview

Coordinates	4085189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.5 H64 Cl3 N O5 P2 Ru S2
Calculated formula	C67.5 H64 Cl3 N O5 P2 Ru S2
Title of publication	Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands
Authors of publication	Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	2
Pages of publication	494
a	21.8965 ± 0.0005 Å
b	17.9869 ± 0.0005 Å
c	31.6196 ± 0.001 Å
α	90°
β	98.962 ± 0.003°
γ	90°
Cell volume	12301.4 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085189.cif
130778	2015-02-04	cif/ Updating files of 4085188, 4085189, 4085190 Original log message: Adding full bibliography for 4085188--4085190.cif.	4085189.cif
129931	2015-01-17	cif/ Adding structures of 4085188, 4085189, 4085190 via cif-deposit CGI script.	4085189.cif