Crystallography Open Database

Information card for entry 4334810

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Coordinates	4334810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H59.5 F3 N3 O3 S Tl
Calculated formula	C52.5 H59.5 F3 N3 O3 S Tl
Title of publication	Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes
Authors of publication	Titel Jurca; Ilia Korobkov; Serge I. Gorelsky; Darrin S. Richeson
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5749 - 5756
a	30.9941 ± 0.0017 Å
b	20.8284 ± 0.0013 Å
c	19.4245 ± 0.0012 Å
α	90°
β	106.008 ± 0.002°
γ	90°
Cell volume	12053.4 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0659
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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