Crystallography Open Database

Information card for entry 4067122

Preview

Coordinates	4067122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H45 Cl4 F6 P3 Ru S3
Calculated formula	C47 H45 Cl4 F6 P3 Ru S3
Title of publication	Organometallic Macrocyclic Chemistry. 8.(1) An Unusual Metallacycle Derived from Phosphine−Alkynyl Thioether Coupling
Authors of publication	Hill, Anthony F.; Niess, Barbara; Schultz, Madeleine; White, Andrew J. P.; Williams, David J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6488
a	49.935 ± 0.002 Å
b	10.8784 ± 0.0006 Å
c	19.5992 ± 0.0019 Å
α	90°
β	110.932 ± 0.005°
γ	90°
Cell volume	9943.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0724
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178562 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/71.	4067122.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067122.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067122.cif
34087	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067122 via cif-deposit CGI script.	4067122.cif