Crystallography Open Database

Information card for entry 4303551

Preview

Coordinates	4303551.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nicotinic acid tetra ethylene glycol calcium copper iodide diihydrate
Formula	C20 H28 Ca Cu3 I5 N2 O9
Calculated formula	C20 H28 Ca Cu3 I5 N2 O9
Title of publication	Multitopic Ligand Design: A Concept for Single-Source Precursors
Authors of publication	Fabienne Gschwind; Olha Sereda; Katharina M. Fromm
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	10535 - 10547
a	13.023 ± 0.003 Å
b	14.858 ± 0.003 Å
c	17.961 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3475.4 ± 1.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1208
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179073 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/35.	4303551.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303551.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303551.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303551.cif