Crystallography Open Database

Information card for entry 7118516

Preview

Coordinates	7118516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H46 F21 N14 O3 P3 Ru2 S
Calculated formula	C55 H46 F21 N14 O3 P3 Ru2 S
SMILES	[Ru]1([n]2ccccc2N2C=1N(c1ccc(c3cc4[n]5[Ru]67([n]8c(c5c3)cccc8)([n]3c4cccc3)[n]3c(cccc3)c3[n]7c(c4[n]6cccc4)ccc3)cc1)C=C2)([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	A remote coordination booster enhances the catalytic efficiency by accelerating the generation of an active catalyst.
Authors of publication	Gupta, Suraj K.; Choudhury, Joyanta
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	16
Pages of publication	3384 - 3387
a	8.7665 ± 0.0007 Å
b	12.4009 ± 0.0011 Å
c	37.66 ± 0.003 Å
α	81.692 ± 0.004°
β	84.839 ± 0.004°
γ	78.866 ± 0.004°
Cell volume	3966.8 ± 0.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
177671 (current)	2016-03-05	cif/ Updating files of 7118515, 7118516 Original log message: Adding full bibliography for 7118515--7118516.cif.	7118516.cif
174643	2016-01-21	cif/ Adding structures of 7118515, 7118516 via cif-deposit CGI script.	7118516.cif