Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate

In the title complex, (C2H7N2)2[Mn(C14H6N2O4)2]·7H2O, the MnII atom is coordinated by four N atoms and four O atoms from two 1,10-phenanthroline-2,9-dicarboxylate ligands in a distorted dodecahedral geometry. The double negative charge is balanced by two ethanamidinium cations. A three-dimensional supramolecular structure is formed through N—H⋯O and O—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.553 (2) Å].

In the crystal structure, intermolecular π-π interactions ( Figure 2) between the neighboring aromatic rings of phenda ligands link the molecules into an infinite layer. The centroid to centroid distance between pyridine rings is 3.553 (2) Å.
The crystal packing is further stabilized by N-H···O and O-H···O hydrogen bonds (Table 1 and Figure 3), which link the layers into a three dimensional framework ( Figure 4).

Refinement
Diffraction data for compound I were recorded on Oxford Diffraction Gemini R CCD diffractometer at 150 (2) K. The data collection routine, unit cell refinement, and data processing were carried out with the program CrysAlis PRO for I.
All H atoms were placed in idealized positions, and were refined using as riding model with C-H distances of 0.95, 0.98, 0.90 and 0.85 Å, for aryl, methyl, amido and water, respectively, with U iso (H) = 1.5U eq (methyl C-atoms) and 1.2U eq (non-methyl C-atoms). The hightest peak is located 1.13 Å from O5W and the deepest hole is located 0.68 Å from N5.

Figure 1
The molecular structure of (I), showing 30% probability displacement ellipsoids.  The off-set π-π stacking interaction in the distance of 3.553 (2) Å between phenda 2groups from the neighboring units   The three-dimensional framework of the title compound through intermolecular π-π stacking interactions and all hydrogen bonds.

Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate
Crystal data Hall symbol: -P 1 a = 9.6330 (6) Å b = 13.8174 (7) Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.