Crystallography Open Database

Information card for entry 7700029

Preview

Coordinates	7700029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H94 N2 O6 P4 Ru2
Calculated formula	C117 H94 N2 O6 P4 Ru2
Title of publication	Bidentate Ru(ii)-NC complexes as catalysts for the dehydrogenative reaction from primary alcohols to carboxylic acids.
Authors of publication	Gong, Dawei; Hu, Bowen; Chen, Dafa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8826 - 8834
a	10.7587 ± 0.0002 Å
b	43.2244 ± 0.0008 Å
c	19.8552 ± 0.0003 Å
α	90°
β	91.064 ± 0.002°
γ	90°
Cell volume	9231.8 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0956
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
223781 (current)	2019-11-07	cif/ Updating files of 7700028, 7700029 Original log message: Adding full bibliography for 7700028--7700029.cif.	7700029.cif
215306	2019-05-19	cif/ Adding structures of 7700028, 7700029 via cif-deposit CGI script.	7700029.cif