Crystallography Open Database

Information card for entry 7126882

Preview

Coordinates	7126882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H56 Br Cl3 F3 N O3 Os P4 S
Calculated formula	C67 H56 Br Cl3 F3 N O3 Os P4 S
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	13.0222 ± 0.0004 Å
b	14.4045 ± 0.0005 Å
c	19.6691 ± 0.0006 Å
α	79.101 ± 0.001°
β	71.46 ± 0.001°
γ	85.621 ± 0.001°
Cell volume	3434.4 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7126882.cif
254223	2020-07-12	cif/ Adding structures of 7126879, 7126880, 7126881, 7126882, 7126883, 7126884, 7126885 via cif-deposit CGI script.	7126882.cif