Crystallography Open Database

Information card for entry 7018706

Preview

Coordinates	7018706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 Cu5 N9 O20 S4
Calculated formula	C40 H40 Cu5 N9 O20 S4
Title of publication	3d-Metal derivatives of the [Cu(I)(SO(3))(4)](7-) ion: structure and magnetism.
Authors of publication	Abrahams, Brendan F.; Abrahams, Carmel T.; Haywood, Marissa G.; Hudson, Timothy A.; Moubaraki, Boujemaa; Murray, Keith S.; Robson, Richard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	4091 - 4099
a	25.2401 ± 0.001 Å
b	25.2401 ± 0.001 Å
c	7.4556 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4749.7 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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