Crystallography Open Database

Information card for entry 4340195

Preview

Coordinates	4340195.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H70 N2 Ni O4 Si2
Calculated formula	C42 H70 N2 Ni O4 Si2
SMILES	c12C=[N]3[Ni]4(Oc2c(cc(c1)O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)[N](CC3)=Cc1cc(cc(c1O4)C(C)(C)C)O[Si](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	42.822 ± 0.005 Å
b	13.0594 ± 0.0016 Å
c	7.8033 ± 0.0008 Å
α	90°
β	90.953 ± 0.007°
γ	90°
Cell volume	4363.2 ± 0.9 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 2 K
Number of distinct elements	6
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	0.1071
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.29
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.	4340195.cif
118670	2014-06-30	cif/ Adding structures of 4340195 via cif-deposit CGI script.	4340195.cif