Information card for entry 1518379

Structure parameters

• Formula: C30 H48 F12 N8 O12 P2 Zn
• Calculated formula: C30 H44 F12 N8 O12 P2 Zn
• SMILES: [Zn]12(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O2)([OH2])[OH2].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O.[nH+]1cccc(c1N)C.[nH+]1cccc(c1N)C.[nH+]1cccc(c1N)C.[nH+]1cccc(c1N)C
• Title of publication: 3-Picoline mediated self-assembly of M(II)-malonate complexes (M = Ni/Co/Mn/Mg/Zn/Cu) assisted by various weak forces involving lone pair-π, π-π, and anion···π-hole interactions.
• Authors of publication: Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Ballester, Pablo; Seth, Saikat Kumar; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 50
• Pages of publication: 14713 - 14726
• a: 7.209 ± 0.0007 Å
• b: 11.6545 ± 0.0011 Å
• c: 14.121 ± 0.0014 Å
• α: 86.113 ± 0.004°
• β: 75.849 ± 0.005°
• γ: 76.45 ± 0.004°
• Cell volume: 1118.32 ± 0.19 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No