Crystallography Open Database

Information card for entry 7060385

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Coordinates	7060385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H54 F9 N3 P4.5 Ru
Calculated formula	C66 H54 F9 N3 P4.5 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	13.9917 ± 0.0008 Å
b	13.9917 ± 0.0008 Å
c	18.8197 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	3190.7 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.2008
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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