Crystallography Open Database

Information card for entry 7000543

Preview

Coordinates	7000543.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tetracosakis(mu4-5-(2-Hydroxyethoxy)benzene-1,3- dicarboxylato)-diaqua-tetradecakis(dimethylsulfoxid)-octamethanol- tetracosa-copper(ii) dimethylsulfoxide methanol solvate
Formula	C343 H536 Cu24 O213 S36
Calculated formula	C342.98 H535.92 Cu24 O212.98 S36
Title of publication	Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis, urethane derivatization and kinetic stability
Authors of publication	Tonigold, Markus; Hitzbleck, Julia; Bahnmüller, Stefan; Langstein, Gerhard; Volkmer, Dirk
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	8
Pages of publication	1363
a	26.22 ± 0.005 Å
b	39.06 ± 0.008 Å
c	26.643 ± 0.005 Å
α	90°
β	95.64 ± 0.03°
γ	90°
Cell volume	27154 ± 9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2458
Residual factor for significantly intense reflections	0.1002
Weighted residual factors for significantly intense reflections	0.2492
Weighted residual factors for all reflections included in the refinement	0.3079
Goodness-of-fit parameter for all reflections included in the refinement	0.85
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
179683 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/05.	7000543.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000543.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000543.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000543.cif