Crystallography Open Database

Information card for entry 7111966

7111965 << 7111966 >> 7111967

Preview

Coordinates	7111966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 I N3 O7.5 Zn1.5
Calculated formula	C20 H15 I N3 O7.5 Zn1.5
Title of publication	Crystallographic determination of solid-state structural transformations in a dynamic metal‒organic framework
Authors of publication	Li, Gui-Lian; Liu, Guang-Zhen; Ma, Lu-Fang; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya
Journal of publication	Chemical Communications
Year of publication	2014
Journal volume	50
Journal issue	20
Pages of publication	2615 - 2617
a	16.291 ± 0.007 Å
b	24.684 ± 0.011 Å
c	13.435 ± 0.006 Å
α	90°
β	124.098 ± 0.005°
γ	90°
Cell volume	4474 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111966.cif
103176	2014-02-26	cif/ Adding structures of 7111963, 7111964, 7111965, 7111966, 7111967 via cif-deposit CGI script.	7111966.cif