Crystallography Open Database

Information card for entry 2206778

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Coordinates	2206778.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)
Formula	C34 H34 N4 O14 S2 Zn
Calculated formula	C34 H34 N4 O14 S2 Zn
SMILES	[OH2][Zn]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])[OH2].[O-]S(=O)(=O)c1ccc(cc1)C(=O)O.O=C(O)c1ccc(S(=O)(=O)[O-])cc1
Title of publication	The monodentate 4,4'-bipyridine complex tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)
Authors of publication	Zhang, Li-Ping; Zhu, Long-Guan
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1768 - m1770
a	7.5086 ± 0.0004 Å
b	7.7202 ± 0.0004 Å
c	16.7277 ± 0.0009 Å
α	92.256 ± 0.001°
β	93.66 ± 0.001°
γ	111.039 ± 0.001°
Cell volume	901.16 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0492
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1298
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

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