Crystallography Open Database

Information card for entry 4512234

Preview

Coordinates	4512234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 I4 N4 O4 Zn
Calculated formula	C28 H20 I4 N4 O4 Zn
Title of publication	Halogen···Halogen Interactions in the Assembly of High-Dimensional Supramolecular Coordination Polymers Based on 3,5-Diiodobenzoic Acid
Authors of publication	Li, Bo; Dong, Ming-Ming; Fan, Hui-Tao; Feng, Chao-Qiang; Zang, Shuang-Quan; Wang, Li-Ya
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6325
a	13.8531 ± 0.0003 Å
b	13.3127 ± 0.0002 Å
c	17.1303 ± 0.0004 Å
α	90°
β	94.337 ± 0.002°
γ	90°
Cell volume	3150.16 ± 0.11 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	0.061
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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