Crystallography Open Database

Information card for entry 1564972

Preview

Coordinates	1564972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 N7 Ni O13
Calculated formula	C19 H13 N7 Ni O13
SMILES	c1cccc2c3[n]4[Ni]([n]12)([OH2])([OH2])([n]1ccccc1c4cc(c3)c1ncccn1)[OH2].N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].O.O
Title of publication	A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine
Authors of publication	Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119506
a	14.4995 ± 0.0009 Å
b	15.0132 ± 0.0005 Å
c	12.2077 ± 0.0007 Å
α	90°
β	98.782 ± 0.006°
γ	90°
Cell volume	2626.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0892
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2313
Goodness-of-fit parameter for all reflections included in the refinement	1
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
269996 (current)	2021-10-18	cif/ Adding structures of 1564972, 1564973, 1564974 via cif-deposit CGI script.	1564972.cif