Crystallography Open Database

Information card for entry 1513803

Preview

Coordinates	1513803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H68 N4 O37.63 S4
Calculated formula	C64 H68 N4 O37.625 S4
Title of publication	Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution.
Authors of publication	Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu
Journal of publication	The journal of physical chemistry. B
Year of publication	2014
Journal volume	118
Journal issue	9
Pages of publication	2433 - 2441
a	14.115 ± 0.012 Å
b	18.546 ± 0.016 Å
c	28.97 ± 0.03 Å
α	90°
β	102.032 ± 0.009°
γ	90°
Cell volume	7417 ± 12 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1432
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2105
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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