Crystallography Open Database

Information card for entry 4518014

Preview

Coordinates	4518014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110 H72 F12 N10 O2 P2 Ru2
Calculated formula	C110 H72 F12 N10 O2 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	17.1459 ± 0.0006 Å
b	19.6957 ± 0.0008 Å
c	21.0108 ± 0.0008 Å
α	93.42 ± 0.003°
β	112.713 ± 0.003°
γ	112.979 ± 0.003°
Cell volume	5837.9 ± 0.5 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	0.1143
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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