Crystallography Open Database

Information card for entry 8105086

Preview

Coordinates	8105086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H52 Cl8 F16 O10 Sn4
Calculated formula	C84 H52 Cl8 F16 O10 Sn4
Title of publication	Crystal structure of bis(μ3-oxido)-bis(μ2–2,3,4,5-tetrafluorobenzoato-κ2O:O′)-bis(2,3,4,5-tetrafluorobenzoato-κO)-oktakis(3-chlorobenzyl-κC)tetratin(IV), C84H52Cl8F16O10Sn4
Authors of publication	Sun, Junshan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	291 - 292
a	11.2999 ± 0.0009 Å
b	14.1471 ± 0.0011 Å
c	15.2378 ± 0.0012 Å
α	67.656 ± 0.001°
β	72.115 ± 0.001°
γ	69.73 ± 0.001°
Cell volume	2069.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0346
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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