Crystallography Open Database

Information card for entry 2311983

2311982 << 2311983 >> 2311984

Preview

Coordinates	2311983.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']
Formula	C30 H30 N6 O8 S2 Zn2
Calculated formula	C30 H30 N6 O8 S2 Zn2
SMILES	[Zn](OS(=O)(=O)O[Zn]([n]1ccccc1)(OS(=O)(=O)O[Zn]([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)[O-])([n]1ccccc1)[n]1ccccc1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)O[Zn]([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.
Authors of publication	Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2018
Journal volume	74
Journal issue	Pt 3
Pages of publication	263 - 268
a	10.5383 ± 0.001 Å
b	10.5383 ± 0.001 Å
c	26.135 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2513.6 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
246228 (current)	2019-12-27	cif/ Adding structures of 2311981, 2311982, 2311983 via cif-deposit CGI script.	2311983.cif