Crystallography Open Database

Information card for entry 7211407

Preview

Coordinates	7211407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu N2 O10 S2
Calculated formula	C12 H8 Cu N2 O10 S2
Title of publication	Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage
Authors of publication	Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	48
Pages of publication	10550
a	10.01 ± 0.004 Å
b	24.79 ± 0.009 Å
c	9.343 ± 0.003 Å
α	90°
β	113.657 ± 0.007°
γ	90°
Cell volume	2123.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2339
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.193
Weighted residual factors for all reflections included in the refinement	0.2848
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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