Crystallography Open Database

Information card for entry 7051881

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Coordinates	7051881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.42 H32.84 Cl0.42 O6 S6
Calculated formula	C38.42 H32.84 Cl0.42 O6 S6
Title of publication	Guest capture, storage and removal in the TATM host framework: a single-crystal study
Authors of publication	Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	5
Pages of publication	864
a	7.964 ± 0.004 Å
b	10.792 ± 0.005 Å
c	12.002 ± 0.006 Å
α	96.368 ± 0.006°
β	106.028 ± 0.006°
γ	95.933 ± 0.006°
Cell volume	975.6 ± 0.8 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1134
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.2144
Weighted residual factors for all reflections included in the refinement	0.2275
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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