Crystallography Open Database

Information card for entry 1565726

Preview

Coordinates	1565726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 Mn N O10
Calculated formula	C7 H15 Mn N O10
SMILES	[Mn]1(OC(=O)c2[n]1cc(cc2)C(=O)[O-])([OH2])([OH2])([OH2])[OH2].O.O
Title of publication	Supramolecular association involving antiparallel CO⋯CO and anion–π contacts in Co(II) and Mn(II) complexes involving 2,5-pyridinedicarboxylate: Anticancer evaluation and theoretical studies
Authors of publication	Mohd. Nashre-ul-Islam, Swah; Dutta, Debajit; Sharma, Pranay; Verma, Akalesh K.; Frontera, Antonio; Bhattacharyya, Manjit K.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119108
a	7.0957 ± 0.0004 Å
b	8.3505 ± 0.0005 Å
c	11.4684 ± 0.0009 Å
α	107.13 ± 0.005°
β	99.493 ± 0.004°
γ	102.789 ± 0.003°
Cell volume	613.67 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0526
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
271382 (current)	2021-12-14	cif/ Adding structures of 1565725, 1565726 via cif-deposit CGI script.	1565726.cif