Crystallography Open Database

Information card for entry 7017493

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Coordinates	7017493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 Cu O2 P2 S4
Calculated formula	C46 H37 Cu O2 P2 S4
Title of publication	Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.
Authors of publication	Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	2
Pages of publication	424 - 431
a	13.1 ± 0.0003 Å
b	17.9804 ± 0.0004 Å
c	18.1855 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4283.47 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	0.916
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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