Crystallography Open Database

Information card for entry 7051887

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Structure parameters

Formula	C40.88 H37.76 O6.96 S6
Calculated formula	C40.88 H37.76 O6.96 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	8.1349 ± 0.0006 Å
b	10.51 ± 0.0008 Å
c	12.3775 ± 0.0009 Å
α	94.624 ± 0.001°
β	108.274 ± 0.001°
γ	95.778 ± 0.001°
Cell volume	992.7 ± 0.13 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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