Crystallography Open Database

Information card for entry 7127294

Preview

Coordinates	7127294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 F6 N5 O11 Ru S2
Calculated formula	C35 H35 F6 N5 O11 Ru S2
Title of publication	A multi-stimuli responsive ruthenium complex for catalytic water oxidation.
Authors of publication	Hirahara, Masanari; Goto, Hiroki; Yagi, Masayuki; Umemura, Yasushi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12825 - 12828
a	10.011 ± 0.004 Å
b	13.646 ± 0.005 Å
c	16.369 ± 0.006 Å
α	66.564 ± 0.005°
β	72.663 ± 0.005°
γ	78.969 ± 0.005°
Cell volume	1951.7 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.0033
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
260686 (current)	2021-01-07	cif/ Updating files of 7127294, 7127295 Original log message: Adding full bibliography for 7127294--7127295.cif.	7127294.cif
256552	2020-09-19	cif/ Adding structures of 7127294, 7127295 via cif-deposit CGI script.	7127294.cif