Crystallography Open Database

Information card for entry 2012485

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Structure parameters

Chemical name	catena-Poly[[[tetrakis(1-methylimidazole-κN^3^)copper(II)]-μ^2^-sulfato-O:O'] acetonitrile hemisolvate sesquihydrate]
Formula	C17 H28.5 Cu N8.5 O5.5 S
Calculated formula	C17 H28.5 Cu N8.5 O5.5 S
Title of publication	<i>catena</i>-Poly[[[tetrakis(1-methylimidazole-κ<i>N</i>^3^)copper(II)]-μ^2^-sulfato-κ^2^<i>O</i>:<i>O</i>'] acetonitrile hemisolvate sesquihydrate]
Authors of publication	Castro, Jesús; Pérez Lourido, Paulo; Sousa-Pedrares, Antonio; Labisbal, Elena; Carabel, Maximiliano; García-Vázquez, José Arturo
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	m65 - m67
a	18.6227 ± 0.0001 Å
b	14.2708 ± 0.0001 Å
c	17.5255 ± 0.0001 Å
α	90°
β	91.65 ± 0.001°
γ	90°
Cell volume	4655.66 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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