Information card for entry 2104602

Structure parameters

• Chemical name: [N-methyl-N,N',N'-tris(2-pyridylmethylethane-1,2-diamine Mn H2O] ](BPh4)2
• Formula: C69 H67 B2 Mn N5 O
• Calculated formula: C69 H65 B2 Mn N5 O
• SMILES: [Mn]1234([OH2])[n]5ccccc5C[N]1(C)CC[N]2(Cc1cccc[n]31)Cc1cccc[n]41.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.058 Å
• b: 17.557 Å
• c: 20.922 Å
• α: 90°
• β: 93.144°
• γ: 90°
• Cell volume: 5889.67 ų
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No