Crystallography Open Database

Information card for entry 7053370

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Coordinates	7053370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Cu N4 O13 S
Calculated formula	C18 H28 Cu N4 O13 S
Title of publication	Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization
Authors of publication	Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	11
Pages of publication	2458
a	7.1978 ± 0.0004 Å
b	16.6218 ± 0.001 Å
c	20.5689 ± 0.0012 Å
α	90°
β	96.226 ± 0.001°
γ	90°
Cell volume	2446.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0345
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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