Crystallography Open Database

Information card for entry 7127799

Preview

Coordinates	7127799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H32 Cl4 F3 O P2 Re
Calculated formula	C36.5 H32 Cl4 F3 O P2 Re
Title of publication	One-pot syntheses of rhena-2-benzopyrylium complexes with a fused metallacyclopropene unit.
Authors of publication	Bao, Xiao; Li, Yang; Bai, Wei; Zhou, Yan; Wang, Yilun; Sun, Yue; Jiang, Jingyang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	13
Pages of publication	1643 - 1646
a	19.8031 ± 0.0011 Å
b	22.211 ± 0.0012 Å
c	17.0555 ± 0.0009 Å
α	90°
β	96.387 ± 0.002°
γ	90°
Cell volume	7455.2 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
262492 (current)	2021-03-05	cif/ Updating files of 7127799, 7127800 Original log message: Adding full bibliography for 7127799--7127800.cif.	7127799.cif
260956	2021-01-15	cif/ Adding structures of 7127799, 7127800 via cif-deposit CGI script.	7127799.cif