Crystallography Open Database

Information card for entry 7045138

Preview

Coordinates	7045138.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sef3_24
Chemical name	sef3_24a_0m
Formula	C66 H92 Cl4 N8 O5 P2 Ru2 S5
Calculated formula	C66 H92 Cl4 N8 O5 P2 Ru2 S5
Title of publication	Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.
Authors of publication	Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	4
Pages of publication	1276 - 1283
a	13.445 ± 0.005 Å
b	10.038 ± 0.005 Å
c	27.511 ± 0.005 Å
α	90 ± 0.005°
β	95.679 ± 0.005°
γ	90 ± 0.005°
Cell volume	3695 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1762
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
229524 (current)	2019-11-17	cif/ Updating files of 7045138, 7045139, 7045140 Original log message: Adding full bibliography for 7045138--7045140.cif.	7045138.cif
204476	2017-12-22	cif/ Adding structures of 7045138, 7045139, 7045140 via cif-deposit CGI script.	7045138.cif