Crystallography Open Database

Information card for entry 2022002

2022001 << 2022002 >> 2022003

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Coordinates	2022002.cif
Structure factors	2022002.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[tetraaquanickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] bis(6-chloronicotinate) tetrahydrate]
Formula	C22 H30 Cl2 N4 Ni O12
Calculated formula	C22 H30 Cl2 N4 Ni O12
SMILES	[Ni]([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([n]1ccc(cc1)c1cc[n]([Ni]([OH2])([OH2])([OH2])[OH2])cc1)([OH2])[OH2].Clc1ncc(cc1)C(=O)[O-].O.O.Clc1ncc(cc1)C(=O)[O-].O.O.Clc1ncc(cc1)C(=O)[O-].O.O.Clc1ncc(cc1)C(=O)[O-].O.O
Title of publication	Synthesis and crystal structure of a 6-chloronicotinate salt of a one-dimensional cationic nickel(II) coordination polymer with 4,4′-bipyridine
Authors of publication	Politeo, Nives; Pisačić, Mateja; Đaković, Marijana; Sokol, Vesna; Kukovec, Boris-Marko
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	599
a	10.7997 ± 0.0003 Å
b	11.2319 ± 0.0002 Å
c	12.0225 ± 0.0003 Å
α	90°
β	95.184 ± 0.002°
γ	90°
Cell volume	1452.38 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
250124 (current)	2020-04-04	cif/ hkl/ Adding structures of 2022002 via cif-deposit CGI script.	2022002.cif 2022002.hkl