Crystallography Open Database

Information card for entry 7051798

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Coordinates	7051798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 O2 S3
Calculated formula	C21 H26 O2 S3
Title of publication	Exo-coordinated discrete and continuous supramolecular silver(i) complexes with thiaoxa-macrocycles
Authors of publication	Kim, Hyun Jee; Yoon, Il; Lee, So Young; Choi, Kyu Seong; Lee, Shim Sung
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	2
Pages of publication	258
a	13.2221 ± 0.0009 Å
b	12.4315 ± 0.0008 Å
c	25.7337 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4229.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1151
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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