Crystallography Open Database

Information card for entry 7721168

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Coordinates	7721168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Cl Ga N P2 Ru
Calculated formula	C51 H47 Cl Ga N 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	11.0682 ± 0.0002 Å
b	12.2007 ± 0.0002 Å
c	31.5948 ± 0.0005 Å
α	90°
β	99.6792 ± 0.0009°
γ	90°
Cell volume	4205.82 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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