Crystallography Open Database

Information card for entry 7112270

Preview

Coordinates	7112270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H56 F3 O4 P3 Ru S2
Calculated formula	C51 H56 F3 O4 P3 Ru S2
Title of publication	A sulfur mimic of 1,1-bis(diphenylphosphino)methane: a new ligand opens up.
Authors of publication	Sues, Peter E.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	50
Journal issue	36
Pages of publication	4707 - 4710
a	11.9425 ± 0.001 Å
b	19.3668 ± 0.0017 Å
c	21.7142 ± 0.0018 Å
α	90°
β	95.243 ± 0.002°
γ	90°
Cell volume	5001.2 ± 0.7 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
180236 (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 7/11/22.	7112270.cif
109252	2014-04-10	cif/ Adding structures of 7112266, 7112267, 7112268, 7112269, 7112270, 7112271 via cif-deposit CGI script.	7112270.cif