Information card for entry 7022825

Structure parameters

• Formula: C74 H62 Cl2 Cu N12 O14 P6
• Calculated formula: C74 H62 Cl2 Cu N12 O14 P6
• SMILES: c1(cc[n](cc1)[Cu]([n]1ccc(cc1)OP1(=NP2(=NP3(=N1)Oc1ccccc1c1ccccc1O3)Oc1ccccc1c1ccccc1O2)Oc1ccncc1)(Cl)Cl)OP1(=NP2(=NP3(=N1)Oc1ccccc1c1ccccc1O3)Oc1ccccc1c1ccccc1O2)Oc1ccncc1.N(C)(C)C=O.N(C)(C)C=O
• Title of publication: Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.
• Authors of publication: Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6619 - 6632
• a: 11.299 ± 0.004 Å
• b: 21.076 ± 0.008 Å
• c: 15.289 ± 0.006 Å
• α: 90°
• β: 92.992 ± 0.007°
• γ: 90°
• Cell volume: 3636 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1171
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No