Information card for entry 2104502

Structure parameters

• Chemical name: catena((mu(2)-1,1'-Biphenyl-4,4'-dicarboxylato)-bis(1,10-phenanthroline) cadmium dihydrate)
• Formula: C38 H28 Cd N4 O6
• Calculated formula: C38 H24 Cd N4 O6
• SMILES: [Cd]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O[Cd]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13)OC(=O)c1ccc(cc1)c1ccc(C(=O)[O-])cc1.O.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: 12.3652 ± 0.0018 Å
• b: 17.649 ± 0.004 Å
• c: 14.83 ± 0.002 Å
• α: 90°
• β: 95.671 ± 0.011°
• γ: 90°
• Cell volume: 3220.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No