Crystallography Open Database

Information card for entry 7010529

Preview

Coordinates	7010529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 Ag2 F6 N12 O6 S2
Calculated formula	C79.99 H78 Ag2 F5.97 N12 O5.99 S1.99
Title of publication	Coordination-directed assembly of trigonal and tetragonal molecular boxes encapsulating anionic guests †
Authors of publication	Su, Cheng-Yong; Cai, Yue-Peng; Chen, Chun-Long; Zhang, Hua-Xin; Kang, Bei-Sheng
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	4
Pages of publication	359
a	14.0129 ± 0.0013 Å
b	14.0129 ± 0.0013 Å
c	23.119 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3931.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.2409
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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