Crystallography Open Database

Information card for entry 7717757

Preview

Coordinates	7717757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H75 B N2 O3 P2 Ru
Calculated formula	C66 H75 B N2 O3 P2 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	12.7846 ± 0.0008 Å
b	13.8907 ± 0.0011 Å
c	17.4106 ± 0.0013 Å
α	101.625 ± 0.003°
β	105.684 ± 0.002°
γ	94.257 ± 0.003°
Cell volume	2888.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7717757.cif
297150	2025-01-07	cif/ Adding structures of 7717755, 7717756, 7717757, 7717758 via cif-deposit CGI script.	7717757.cif