Crystallography Open Database

Information card for entry 7060387

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Coordinates	7060387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H60 F12 N3 P5 Ru
Calculated formula	C78 H60 F12 N3 P5 Ru
Title of publication	Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles
Authors of publication	Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	9
Pages of publication	4427 - 4436
a	13.8277 ± 0.0006 Å
b	14.1535 ± 0.0007 Å
c	21.431 ± 0.001 Å
α	71.268 ± 0.002°
β	78.496 ± 0.002°
γ	76.944 ± 0.002°
Cell volume	3832.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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