Crystallography Open Database

Information card for entry 4507905

Preview

Coordinates	4507905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H86 Cu6 I4 N12 O31
Calculated formula	C104 H86 Cu6 I4 N12 O31
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	11.901 ± 0.0006 Å
b	11.9734 ± 0.0005 Å
c	20.6426 ± 0.001 Å
α	89.483 ± 0.004°
β	74.703 ± 0.004°
γ	67.446 ± 0.004°
Cell volume	2606.2 ± 0.2 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	0.0406
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
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.	4507905.cif
87753	2013-08-27	cif/ Adding structures of 4507905, 4507906, 4507907, 4507908, 4507909, 4507910, 4507911 via cif-deposit CGI script.	4507905.cif