Crystallography Open Database

Information card for entry 7705226

Preview

Coordinates	7705226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H23 F6 N4 O3 P Ru
Calculated formula	C34 H23 F6 N4 O3 P Ru
SMILES	[Ru]123([O]=C4c5c(O1)cccc5C(=O)c1ccccc41)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Hydrogen peroxide assisted photorelease of an anthraquinone-based ligand from [Ru(2,2'-bipyridine)<sub>2</sub>(9,10-dioxo-9,10-dihydroanthracen-1-olate)]Cl in aqueous solution.
Authors of publication	Zeng, L.; Sirbu, D.; Waddell, P. G.; Tkachenko, N. V.; Probert, M. R.; Benniston, A. C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	38
Pages of publication	13243 - 13252
a	7.61 ± 0.002 Å
b	13.099 ± 0.004 Å
c	19.064 ± 0.006 Å
α	101.261 ± 0.005°
β	96.918 ± 0.005°
γ	96.3 ± 0.005°
Cell volume	1832.8 ± 0.9 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.2087
Weighted residual factors for all reflections included in the refinement	0.2228
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258870 (current)	2020-11-06	cif/ Updating files of 7705226 Original log message: Adding full bibliography for 7705226.cif.	7705226.cif
255471	2020-08-20	cif/ Adding structures of 7705226 via cif-deposit CGI script.	7705226.cif