Crystallography Open Database

Information card for entry 7025710

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Coordinates	7025710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H194 Cu16 O41
Calculated formula	C96 H194 Cu16 O41
Title of publication	An alcoholysis route to a Cu16 cluster, and the influence of the alcohol.
Authors of publication	Liu, Tian-Fu; Stamatatos, Theocharis C.; Abboud, Khalil A.; Christou, George
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	15
Pages of publication	3554 - 3556
a	15.2832 ± 0.001 Å
b	18.7974 ± 0.0013 Å
c	25.7722 ± 0.0017 Å
α	98.402 ± 0.001°
β	93.515 ± 0.001°
γ	108.185 ± 0.001°
Cell volume	6913.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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