Crystallography Open Database

Information card for entry 2012580

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Structure parameters

Chemical name	poly[[aquabis(1,2-diaminoethane)copper(II)] [bis(1,2-diaminoethane)hexa-μ-cyano-tetracyanotricopper(II)dinickel(II) dihydrate]
Formula	C18 H38 Cu4 N18 Ni2 O3
Calculated formula	C18 H37.774 Cu4 N18 Ni2 O3
Title of publication	Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane)
Authors of publication	Černák, Juraj; Abboud, Khalil A.
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	m167 - m170
a	19.476 ± 0.002 Å
b	8.2737 ± 0.0004 Å
c	21.786 ± 0.002 Å
α	90°
β	107.583 ± 0.002°
γ	90°
Cell volume	3346.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.919
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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