Crystallography Open Database

Information card for entry 1563575

Preview

Coordinates	1563575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119.33 H99.33 N12.67 Na O54.17 S8 Tb2.33
Calculated formula	C119.3 H80 N12.66 Na O54.14 S8 Tb2.33
Title of publication	Guests inducing p-sulfonatocalix[4]arenes into nanocapsule and layer structure
Authors of publication	Zheng, Guoli; Fan, Weiqiang; Song, Shuyan; Guo, Huadong; Zhang, HongJie
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	6
Pages of publication	1457 - 1463
a	16.9184 ± 0.0008 Å
b	24.164 ± 0.0011 Å
c	25.8181 ± 0.0012 Å
α	97.316 ± 0.001°
β	106.218 ± 0.001°
γ	101.282 ± 0.001°
Cell volume	9751.6 ± 0.8 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.1071
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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