Crystallography Open Database

Information card for entry 7054030

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Coordinates	7054030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H58 I4 N2 O12 Zn4
Calculated formula	C24 H56 I4 N2 O12.3 Zn4
Title of publication	Synthesis of a novel hybrid metal‒organic salt and its solid-state transformation
Authors of publication	Martí-Rujas, Javier; Cametti, Massimo
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	4
Pages of publication	1385
a	16.3228 ± 0.0018 Å
b	16.3228 ± 0.0018 Å
c	16.3228 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	4348.9 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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