Crystallography Open Database

Information card for entry 7101298

Preview

Coordinates	7101298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 Cu7 K N20 O6 S8
Calculated formula	C26 H54 Cu7 K N20 O6 S8
Title of publication	A new 2D network built from potassium sandwiches {K[CuII3(bdap)3]2} and {(μ1,3-SCN)3CuI(NCS)} anions: structure and magnetic behaviour
Authors of publication	El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2006
Journal issue	29
Pages of publication	3113 - 3115
a	10.531 ± 0.001 Å
b	21.44 ± 0.001 Å
c	22.895 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5169.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.22
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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