Crystallography Open Database

Information card for entry 7127295

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Coordinates	7127295.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	11.5955 ± 0.0002 Å
b	13.3944 ± 0.0002 Å
c	13.4286 ± 0.0002 Å
α	94.6542 ± 0.0009°
β	108.322 ± 0.0008°
γ	99.0418 ± 0.0009°
Cell volume	1936.28 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0651
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.0508
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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