Crystallography Open Database

Information card for entry 7058523

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Coordinates	7058523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H72 Cu2 N12 O4 S
Calculated formula	C90 H72 Cu2 N12 O4 S
Title of publication	Rapid access to sulfate-encapsulated symmetrical and asymmetrical capsules based on silver‒pyrazole complex cations
Authors of publication	Chou, Chang-Chuan; Lai, Yu-Ting; Yang, Chia-Chi; Kuo, Ting-Sen
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	27
Pages of publication	10680
a	21.6261 ± 0.0011 Å
b	13.7166 ± 0.0006 Å
c	29.3214 ± 0.0011 Å
α	90°
β	107.517 ± 0.001°
γ	90°
Cell volume	8294.5 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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