Crystallography Open Database

Information card for entry 4516282

Preview

Coordinates	4516282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H172 O26 Sn4
Calculated formula	C122 H142 O26 Sn4
Title of publication	Molecular Dumbbell, Sandwich, and Paddle-Wheel Assembled with Methylresorcin[4]arene Cavitands and Organooxotin Clusters
Authors of publication	Dong, Yun-Bo; Shi, Hua-Yu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1546
a	11.8 ± 0.0007 Å
b	15.889 ± 0.0008 Å
c	19.904 ± 0.0011 Å
α	76.442 ± 0.005°
β	73.057 ± 0.005°
γ	76.388 ± 0.005°
Cell volume	3413.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1983
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2532
Weighted residual factors for all reflections included in the refinement	0.3223
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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