Crystallography Open Database

Information card for entry 7717756

Preview

Coordinates	7717756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H56 B N2 O P2 Ru
Calculated formula	C61 H56 B N2 O 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	13.1411 ± 0.0005 Å
b	12.9946 ± 0.0005 Å
c	29.4189 ± 0.0011 Å
α	90°
β	90.258 ± 0.001°
γ	90°
Cell volume	5023.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7717756.cif
297150	2025-01-07	cif/ Adding structures of 7717755, 7717756, 7717757, 7717758 via cif-deposit CGI script.	7717756.cif