Crystallography Open Database

Information card for entry 1564075

Preview

Coordinates	1564075.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diaaqua-bis(pyridazine-3-carboxylato)-manganese(II) dihydrate
Formula	C10 H14 Mn N4 O8
Calculated formula	C10 H14 Mn N4 O8
SMILES	[Mn]12([OH2])([n]3c(cccn3)C(=O)O1)([n]1c(cccn1)C(=O)O2)[OH2].O.O
Title of publication	Comparison of structural, spectroscopic, theoretical and thermal properties of metal complexes (Zn(II), Mn(II), Cu(II), Ni(II) and Co(II)) of pyridazine-3-carboxylic acid and pyridazine-4-carboxylic acids
Authors of publication	Świderski, Grzegorz; Łyszczek, Renata; Wojtulewski, Sławomir; Kalinowska, Monika; Świsłocka, Renata; Lewandowski, Włodzimierz
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119865
a	5.3124 ± 0.0004 Å
b	7.3148 ± 0.0004 Å
c	9.7421 ± 0.0007 Å
α	80.58 ± 0.005°
β	89.658 ± 0.006°
γ	72.544 ± 0.006°
Cell volume	355.89 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267421 (current)	2021-07-09	cif/ Adding structures of 1564075, 1564076 via cif-deposit CGI script.	1564075.cif