Crystallography Open Database

Information card for entry 4340193

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Coordinates	4340193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 N2 Ni O6
Calculated formula	C26 H35 N2 Ni O6
SMILES	[Ni]123Oc4c(cc(cc4C=[N]1CC[N]3=Cc1c(c(cc(c1)O)C(C)(C)C)O2)O)C(C)(C)C.OC.OC
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	29.115 ± 0.013 Å
b	7.089 ± 0.003 Å
c	27.811 ± 0.009 Å
α	90°
β	111.89 ± 0.02°
γ	90°
Cell volume	5326 ± 4 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1296
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	4340193.cif
118668	2014-06-30	cif/ Adding structures of 4340193 via cif-deposit CGI script.	4340193.cif