Crystallography Open Database

Information card for entry 4308902

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H67 Cl Co2 N12 O24 S8
Calculated formula	C84 H67 Cl Co2 N12 O24 S8
SMILES	[Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Co]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.S1c2cc(S(=O)(=O)[O-])cc(Sc3cc(S(=O)(=O)[O-])cc(Sc4cc(S(=O)(=O)[O-])cc(Sc5cc(S(=O)(=O)[O-])cc1c5O)c4[O-])c3O)c2O.Cl(=O)(=O)(=O)[O-].O.O.O.O
Title of publication	Outer-Sphere Association of p-Sulfonatothiacalix[4]arene and Tetrasulfonatomethylated Calix[4]resorcinarene with Cobalt(III) Tris(dipyridyl): The Effect on the Spectral and Electrochemical Properties of the Latter
Authors of publication	Asiya R. Mustafina; Viktoriya V. Skripacheva; Aidar T. Gubaidullin; Shamil K. Latipov; Asiya V. Toropchina; Vitaly V. Yanilkin; Svetlana E. Solovieva; Igor S. Antipin; Alexander I. Konovalov
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4017 - 4023
a	17.366 ± 0.007 Å
b	22.2492 ± 0.0015 Å
c	29.0904 ± 0.0019 Å
α	90 ± 0.05°
β	102.22 ± 0.04°
γ	90 ± 0.05°
Cell volume	10985 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2669
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.2353
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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