Crystallography Open Database

Information card for entry 7714843

Preview

Coordinates	7714843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H102 N4 O3 P4 Ru2
Calculated formula	C65 H102 N4 O3 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	22.9521 ± 0.0016 Å
b	16.3988 ± 0.0009 Å
c	25.3602 ± 0.001 Å
α	90°
β	107.262 ± 0.002°
γ	90°
Cell volume	9115.3 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7714843.cif
288553	2023-12-27	cif/ Adding structures of 7714837, 7714838, 7714839, 7714840, 7714841, 7714842, 7714843, 7714844 via cif-deposit CGI script.	7714843.cif