Information card for entry 7022819

Structure parameters

• Formula: C72 H56 Cl32 Cu4 N14 O12 P6
• Calculated formula: C72 H56 Cl32 Cu4 N14 O12 P6
• SMILES: c12OP34=NP5(=NP6(=N3)Oc3ccc[n](c3)[Cu]37([n]8cc(ccc8)OP89=NP%10(=NP(=N8)(Oc8c[n](ccc8)[Cu]8([n](c1)ccc2)(Cl)[Cl][Cu]([n]1cc(O9)ccc1)([n]1cc(O6)ccc1)([Cl]8)Cl)Oc1c[n](ccc1)[Cu]([n]1cc(O4)ccc1)([Cl]3)([Cl]7)Cl)Oc1ccccc1c1ccccc1O%10)Cl)Oc1ccccc1c1ccccc1O5.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 13.015 ± 0.002 Å
• b: 13.723 ± 0.002 Å
• c: 15.691 ± 0.002 Å
• α: 79.25 ± 0.003°
• β: 77.262 ± 0.003°
• γ: 81.256 ± 0.003°
• Cell volume: 2667.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No