Crystallography Open Database

Information card for entry 7130033

Preview

Coordinates	7130033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H69 Cl8 O2 P4 Re2
Calculated formula	C70 H69 Cl8 O2 P4 Re2
Title of publication	An aromatic dimetallapolycyclic complex with two rhenapyrylium rings
Authors of publication	Bai, Wei; Sun, Yue; Wang, Yilun; Zhou, Yan; Zhao, Yue; Bao, Xiao; Yang, Li
Journal of publication	Chemical Communications
Year of publication	2022
a	13.5626 ± 0.0006 Å
b	16.9269 ± 0.0008 Å
c	17.6821 ± 0.0008 Å
α	87.311 ± 0.004°
β	88.052 ± 0.004°
γ	83.508 ± 0.004°
Cell volume	4027.2 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1568
Residual factor for significantly intense reflections	0.1105
Weighted residual factors for significantly intense reflections	0.2699
Weighted residual factors for all reflections included in the refinement	0.2942
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130033.html