Crystallography Open Database

Information card for entry 7054029

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Coordinates	7054029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 I4 N2 O6.17 Zn
Calculated formula	C18 H38 I4 N2 O6.15 Zn
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	11.441 ± 0.0007 Å
b	11.441 ± 0.0007 Å
c	81.313 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	9217.6 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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