Crystallography Open Database

Information card for entry 4518015

Preview

Coordinates	4518015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H58 F12 N10 O3 P2 Ru2
Calculated formula	C70.5 H58 F12 N10 O3 P2 Ru2
Title of publication	Water Oxidizing Diruthenium Electrocatalysts Immobilized on Carbon Nanotubes: Effects of the Number and Positioning of Pyrene Anchors
Authors of publication	Rajabi, Sheida; Ebrahimi, Fatemeh; Lole, Gaurav; Odrobina, Jann; Dechert, Sebastian; Jooss, Christian; Meyer, Franc
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	10614
a	14.2194 ± 0.0003 Å
b	20.0432 ± 0.0004 Å
c	26.3213 ± 0.0006 Å
α	83.352 ± 0.002°
β	79.323 ± 0.002°
γ	87.701 ± 0.002°
Cell volume	7320.9 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0637
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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