Information card for entry 2104565

Structure parameters

• Chemical name: bis(tetrakis(Imidazole)-zinc)bis(mu-4-oxo)-tetrakis(mu-3-oxo)- hexakis(mu-2-oxo)-tetradecaoxo-bis(imidazole)-octa-molybdenum hexahydrate
• Formula: C30 H52 Mo8 N20 O32 Zn2
• Calculated formula: C30 H52 Mo8 N20 O32 Zn2
• SMILES: c1c[nH]c[n]1[Zn]([n]1cc[nH]c1)([n]1c[nH]cc1)[n]1c[nH]cc1.[n]1(c[nH]cc1)[Mo]12([O]3[Mo]45([O]67[Mo]8(O[Mo]9([O]8[Mo]86(O4)([O]46[Mo]%1037(=O)[O]2[Mo]4(O1)(O[Mo]6(=O)([O]98)(=O)O%10)(=O)=O)=O)([n]1c[nH]cc1)(=O)=O)(O5)(=O)=O)(=O)=O)(=O)=O.O.O.O.c1[n](cc[nH]1)[Zn]([n]1cc[nH]c1)([n]1cc[nH]c1)[n]1c[nH]cc1.O.O.O
• 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: 10.62 ± 0.003 Å
• b: 10.801 ± 0.003 Å
• c: 14.555 ± 0.005 Å
• α: 68.923 ± 0.004°
• β: 83.075 ± 0.004°
• γ: 86.064 ± 0.004°
• Cell volume: 1545.9 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No