Crystallography Open Database

Information card for entry 7717755

Preview

Coordinates	7717755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H59 B N O P3 Ru
Calculated formula	C56 H59 B N O P3 Ru
Title of publication	Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.
Authors of publication	Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	7
Pages of publication	2851 - 2859
a	9.973 ± 0.0003 Å
b	22.1902 ± 0.0007 Å
c	22.4709 ± 0.0007 Å
α	90°
β	97.363 ± 0.001°
γ	90°
Cell volume	4931.9 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0459
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298906 (current)	2025-04-05	cif/ Updating files of 7717755, 7717756, 7717757, 7717758 Original log message: Adding full bibliography for 7717755--7717758.cif.	7717755.cif
297150	2025-01-07	cif/ Adding structures of 7717755, 7717756, 7717757, 7717758 via cif-deposit CGI script.	7717755.cif