Crystallography Open Database

Information card for entry 4512238

Preview

Coordinates	4512238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Co I4 N4 O4
Calculated formula	C28 H20 Co I4 N4 O4
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	13.7231 ± 0.0003 Å
b	13.4488 ± 0.0002 Å
c	17.1059 ± 0.0003 Å
α	90°
β	93.814 ± 0.002°
γ	90°
Cell volume	3150.06 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0557
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1089
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

Version history

Revision	Date	Message	Files
179669 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22.	4512238.cif
131340	2015-02-07	cif/ Updating files of 4512233, 4512234, 4512235, 4512236, 4512237, 4512238, 4512239, 4512240, 4512241 Original log message: Adding full bibliography for 4512233--4512241.cif.	4512238.cif
126250	2014-11-05	cif/ Adding structures of 4512233, 4512234, 4512235, 4512236, 4512237, 4512238, 4512239, 4512240, 4512241 via cif-deposit CGI script.	4512238.cif