Crystallography Open Database

Information card for entry 7126879

Preview

Coordinates	7126879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 Cl3 N O4 P4 Ru
Calculated formula	C66 H56 Cl3 N O4 P4 Ru
SMILES	[Ru]123([P](c4ccccc4)(c4ccccc4)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)c1[n+]2c(ccc1)cc(cc32)c1ccccc1.Cl(=O)(=O)(=O)[O-].ClCCl
Title of publication	Conventional and unconventional alkyne activations by Ru and Os for unprecedented dimetalated quinolizinium complexes.
Authors of publication	Yeung, Chi-Fung; Chung, Lai-Hon; Tse, Sheung-Ying; Shek, Hau-Lam; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	63
Pages of publication	8908 - 8911
a	11.6796 ± 0.0002 Å
b	19.9722 ± 0.0003 Å
c	13.188 ± 0.0002 Å
α	90°
β	104.793 ± 0.001°
γ	90°
Cell volume	2974.36 ± 0.08 Å³
Cell temperature	223.4 ± 0.8 K
Ambient diffraction temperature	223.4 ± 0.8 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255956 (current)	2020-09-06	cif/ Updating files of 7126879, 7126880, 7126881, 7126882, 7126883, 7126884, 7126885 Original log message: Adding full bibliography for 7126879--7126885.cif.	7126879.cif
254223	2020-07-12	cif/ Adding structures of 7126879, 7126880, 7126881, 7126882, 7126883, 7126884, 7126885 via cif-deposit CGI script.	7126879.cif