Crystallography Open Database

Information card for entry 7721170

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Coordinates	7721170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Al Cl N P2 Ru
Calculated formula	C51 H47 Al Cl 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	11.042 ± 0.0003 Å
b	12.1033 ± 0.0003 Å
c	31.6126 ± 0.0008 Å
α	90°
β	99.53 ± 0.001°
γ	90°
Cell volume	4166.55 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0333
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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