Information card for entry 2104617

Structure parameters

• Chemical name: mu(2)-N-(3-Carboxysalicylidene)-N'-(salicylaldehyde)- (1,2-ethylenediamine-N,N',O,O,O',O'-aqua-(methanol)-di-copper(ii)- magnesium methanol solvate
• Formula: C36 H36 Cu2 Mg N4 O11
• Calculated formula: C36 H36 Cu2 Mg N4 O11
• SMILES: [Cu]123([O]4[Mg]567(OC(=O)c8cccc9c8[O]5[Cu]58([O]6c6c(C=[N]8CC[N]5=C9)cccc6)[OH2])[O]1c1c(C=[N]3CC[N]2=Cc2cccc(c42)C(=O)O7)cccc1)[OH]C.CO
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 11.816 ± 0.002 Å
• b: 15.599 ± 0.003 Å
• c: 19.642 ± 0.004 Å
• α: 90°
• β: 98.22 ± 0.03°
• γ: 90°
• Cell volume: 3583.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No