Crystallography Open Database

Information card for entry 7045139

Preview

Coordinates	7045139.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	sef3_14
Chemical name	sef3_14
Formula	C34 H37 Cl2 N4 P Ru
Calculated formula	C34 H37 Cl2 N4 P Ru
SMILES	c1nc2cc(c(cc2n1CC[P](CCn1cnc2cc(c(cc12)C)C)(c1ccccc1)[Ru]12345([cH]6[cH]1[cH]2[cH]3[cH]4[cH]56)(Cl)Cl)C)C
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	33.798 ± 0.004 Å
b	33.798 ± 0.004 Å
c	19.6172 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	19407 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1377
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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.	7045139.cif
204476	2017-12-22	cif/ Adding structures of 7045138, 7045139, 7045140 via cif-deposit CGI script.	7045139.cif