Crystallography Open Database

Information card for entry 4507907

Preview

Coordinates	4507907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cu I N2 O6
Calculated formula	C20 H19 Cu I N2 O6
Title of publication	Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect
Authors of publication	Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	8
Pages of publication	3353
a	9.6861 ± 0.0014 Å
b	10.239 ± 0.0012 Å
c	11.6714 ± 0.0016 Å
α	72.355 ± 0.011°
β	76.57 ± 0.012°
γ	74.039 ± 0.011°
Cell volume	1046.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179615 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/79.	4507907.cif
87753	2013-08-27	cif/ Adding structures of 4507905, 4507906, 4507907, 4507908, 4507909, 4507910, 4507911 via cif-deposit CGI script.	4507907.cif