Crystallography Open Database

Information card for entry 7126885

Preview

Coordinates	7126885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H28 Cl N5 O5 Ru
Calculated formula	C35 H28 Cl N5 O5 Ru
SMILES	[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)c1ccccc1c1c3c[n+]2ccccc2c1.Cl(=O)(=O)(=O)[O-].O
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	9.9119 ± 0.0001 Å
b	14.4815 ± 0.0002 Å
c	21.9881 ± 0.0003 Å
α	90°
β	97.114 ± 0.001°
γ	90°
Cell volume	3131.86 ± 0.07 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.0532
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.	7126885.cif
254223	2020-07-12	cif/ Adding structures of 7126879, 7126880, 7126881, 7126882, 7126883, 7126884, 7126885 via cif-deposit CGI script.	7126885.cif