Crystallography Open Database

Information card for entry 7028704

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Coordinates	7028704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Cu2 N8 O12
Calculated formula	C18 H42 Cu2 N8 O12
Title of publication	A Cu(ii) mediated new desulfurization pathway involving elimination of ethylene sulfide.
Authors of publication	Sareen, Neha; Singh, Suryabhan; Bhattacharya, Subrato
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	12
Pages of publication	4635 - 4638
a	7.9414 ± 0.0006 Å
b	20.8386 ± 0.0013 Å
c	9.5765 ± 0.0007 Å
α	90°
β	99.996 ± 0.006°
γ	90°
Cell volume	1560.74 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1418
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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