Crystallography Open Database

Information card for entry 4104082

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Coordinates	4104082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 I3 N6 Zn1.5
Calculated formula	C18 I3 N6 Zn1.25
Title of publication	Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition
Authors of publication	Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3860 - 3861
a	30.36 ± 0.001 Å
b	12.775 ± 0.0004 Å
c	13.5826 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5268 ± 0.3 Å³
Ambient diffraction temperature	623 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0209
Method of determination	powder diffraction
Diffraction radiation wavelength	0.9948 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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