Crystallography Open Database

Information card for entry 7721169

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Coordinates	7721169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H52 B F24 N O P2 Ru
Calculated formula	C81 H52 B F24 N O P2 Ru
Title of publication	Zwitterionic-to-cationic ruthenium carbazole complexes: structure and selective hydroboration of quinolines and pyridines
Authors of publication	Sanchez-Lecuona, Gabriela; Wells, Garrett M.; Gyton, Matthew Robert; Zamora-Moreno, Julio; Duckett, Simon B.; Webster, Charles E.; Montiel-Palma, Virginia
Journal of publication	Dalton Transactions
Year of publication	2026
a	12.7282 ± 0.001 Å
b	17.2612 ± 0.0013 Å
c	18.1439 ± 0.0014 Å
α	69.709 ± 0.004°
β	78.693 ± 0.004°
γ	86.245 ± 0.004°
Cell volume	3666.3 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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