Crystallography Open Database

Information card for entry 4101991

4101990 << 4101991 >> 4101992

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Coordinates	4101991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103.12 H153.28 Cl9.37 N20 O5.08 S20 Sn12
Calculated formula	C103.118 H151.118 Cl9.354 N20 O5.086 S20 Sn12
Title of publication	Directed Formation of an Organotin Sulfide Cavitand and Its Transformation into a Rugby-Ball-like Capsule
Authors of publication	Zohreh Hassanzadeh Fard; Mohammad Reza Halvagar; Stefanie Dehnen
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2848 - 2849
a	15.727 ± 0.003 Å
b	16.547 ± 0.003 Å
c	18.515 ± 0.004 Å
α	90.84 ± 0.03°
β	92.62 ± 0.03°
γ	117.68 ± 0.03°
Cell volume	4258.9 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.187
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	0.756
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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