Crystallography Open Database

Information card for entry 4516182

Preview

Coordinates	4516182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 N8 O16 Re4 S4
Calculated formula	C68 H56 N8 O16 Re4 S4
Title of publication	Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.
Authors of publication	Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	3
Pages of publication	3257 - 3266
a	20.384 ± 0.0018 Å
b	17.0684 ± 0.0013 Å
c	21.821 ± 0.012 Å
α	90°
β	94.39 ± 0.02°
γ	90°
Cell volume	7570 ± 4 Å³
Cell temperature	151 ± 2 K
Ambient diffraction temperature	150.7 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
226172 (current)	2019-11-10	cif/ Adding structures of 4516181, 4516182, 4516183, 4516184, 4516185 via cif-deposit CGI script.	4516182.cif