Crystallography Open Database

Information card for entry 7004991

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Coordinates	7004991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H122 Cl4 Co4 N16 O33
Calculated formula	C90 H109 Cl4 Co4 N16 O33
Title of publication	Synthesis, structure and properties of {M4O4} cubanes containing nickel(II) and cobalt(II).
Authors of publication	Isele, Katharina; Gigon, Fabienne; Williams, Alan F.; Bernardinelli, Gérald; Franz, Patrick; Decurtins, Silvio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	3
Pages of publication	332 - 341
a	19.1066 ± 0.0012 Å
b	23.3433 ± 0.001 Å
c	23.6269 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	10537.9 ± 1.1 Å³
Cell temperature	200 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.51
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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