Crystallography Open Database

Information card for entry 7714844

Preview

Coordinates	7714844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 N6 P4 Ru2
Calculated formula	C64 H104 N6 P4 Ru2
Title of publication	Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.
Authors of publication	Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1862 - 1869
a	16.7299 ± 0.0004 Å
b	38.8794 ± 0.0011 Å
c	49.0089 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	31877.8 ± 1.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for significantly intense reflections	0.1954
Weighted residual factors for all reflections included in the refinement	0.2067
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
289496 (current)	2024-02-04	cif/ Updating files of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 Original log message: Adding full bibliography for 7714837--7714844.cif.	7714844.cif
288553	2023-12-27	cif/ Adding structures of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 via cif-deposit CGI script.	7714844.cif