Crystallography Open Database

Information card for entry 4340197

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Coordinates	4340197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H70 Cu N2 O4 Si2
Calculated formula	C42 H70 Cu N2 O4 Si2
SMILES	[Cu]123Oc4c(cc(cc4C=[N]3CC[N]2=Cc2c(c(cc(c2)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)O1)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C
Title of publication	Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.
Authors of publication	Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1277 - 1288
a	13.6104 ± 0.0016 Å
b	13.9565 ± 0.0016 Å
c	14.5464 ± 0.0018 Å
α	110.51 ± 0.006°
β	102.452 ± 0.007°
γ	113.463 ± 0.006°
Cell volume	2161.7 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 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	0.0983
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340197.cif
118672	2014-06-30	cif/ Adding structures of 4340197 via cif-deposit CGI script.	4340197.cif