Crystallography Open Database

Information card for entry 7052383

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Coordinates	7052383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Ag N3 O4 S3
Calculated formula	C14 H28 Ag N3 O4 S3
Title of publication	Design and synthesis of heteroditopic aza-thioether macrocycles for metal extraction
Authors of publication	Mark W. Glenny; Marie Lacombe; Jason B. Love; Alexander J. Blake; Leonard F. Lindoy; Robert C. Luckay; Karsten Gloe; Bianca Antonioli; Claire Wilson; Martin Schröder
Journal of publication	New Journal of Chemistry
Year of publication	2006
Journal volume	30
Journal issue	12
Pages of publication	1755
a	11.967 ± 0.002 Å
b	20.985 ± 0.004 Å
c	7.75 ± 0.002 Å
α	90°
β	93.036 ± 0.003°
γ	90°
Cell volume	1943.5 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0442
Goodness-of-fit parameter for all reflections included in the refinement	0.833
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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