Crystallography Open Database

Information card for entry 7153062

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Coordinates	7153062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H88 Cu4 Fe2 N4 P4 S4
Calculated formula	C56 H88 Cu4 Fe2 N4 P4 S4
Title of publication	A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.
Authors of publication	Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12849 - 12852
a	32.8531 ± 0.0004 Å
b	32.0553 ± 0.0006 Å
c	21.088 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	22208.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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