Crystallography Open Database

Information card for entry 4335337

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Coordinates	4335337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 F12 N7 O P2 Ru
Calculated formula	C40 H34 F12 N7 O P2 Ru
Title of publication	Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study
Authors of publication	Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7448 - 7459
a	9.7952 ± 0.0001 Å
b	18.7887 ± 0.0003 Å
c	22.5522 ± 0.0003 Å
α	90°
β	106.68 ± 0.001°
γ	90°
Cell volume	3975.84 ± 0.09 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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