Information card for entry 4500175

Structure parameters

• Common name: CoW12P-DMF
• Formula: C24 H66 Co N12 O46 P W12
• Calculated formula: C24 H66 Co N12 O46 P W12
• SMILES: C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.C(=O)N(C)C.CN(C)C=O.CN(C=O)C.CN(C=O)C.CN(C)C=O.C(=O)N(C)C.O=[W]1234O[W]567(=O)O[W]89(O1)(=O)[O]46=P14[O]6%10[W]%11%12%13(O[W]%14%10(=O)(O2)O[W]6(O5)(=O)(O%13)O[W]25(O[W]6%10(O[W]%13%15(O[W]%16(O3)(=O)(O%14)O[W](O8)(=O)(O%13)(O[W](O6)(O2)(O9)([O]45%10)=O)[O]1%15%16)(=O)O%12)(=O)O%11)(=O)O7)=O
• Title of publication: Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals
• Authors of publication: Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 139
• a: 15.55 ± 0.003 Å
• b: 19.059 ± 0.003 Å
• c: 23.026 ± 0.004 Å
• α: 90°
• β: 97.121 ± 0.003°
• γ: 90°
• Cell volume: 6772 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No