Crystallography Open Database

Information card for entry 8104573

Preview

Coordinates	8104573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H54 Cl2 F24 O16 Sn8
Calculated formula	C58 H54 Cl2 F24 O16 Sn8
Title of publication	The crystal structure of the cocrystal di-μ2-chlorido-octamethyl-di-μ3-oxido-bis(2,3,4,5-tetrafluorobenzoato-κ2 O,O′)tetratin(IV) ─ octamethyl-di-μ3-oxido-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O;O′)tetratin(IV) C58H54Cl2F24O16Sn8
Authors of publication	Sun, Junshan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1231 - 1233
a	7.609 ± 0.004 Å
b	13.938 ± 0.006 Å
c	19.19 ± 0.009 Å
α	77.599 ± 0.007°
β	89.846 ± 0.007°
γ	79.841 ± 0.007°
Cell volume	1955.2 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1019
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
273057 (current)	2022-02-21	cif/ Adding structures of 8104573 via cif-deposit CGI script.	8104573.cif