Crystallography Open Database

Information card for entry 4324743

Preview

Coordinates	4324743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.25 H50.5 F12 N10 O5 P2 Ru2
Calculated formula	C54.875 H49.775 F11.2106 N10 O4.26 P2 Ru2
Title of publication	Synthesis, Structure, and Reactivity of New Tetranuclear Ru-Hbpp-Based Water-Oxidation Catalysts
Authors of publication	Laia Francàs; Xavier Sala; Eduardo Escudero-Adán; Jordi Benet-Buchholz; Lluís Escriche; Antoni Llobet
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2771 - 2781
a	25.3428 ± 0.001 Å
b	17.2004 ± 0.0007 Å
c	14.7026 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6409 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2392
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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