Information card for entry 4304896

Structure parameters

• Formula: C44 H42 Cu2 N11 O4 P3
• Calculated formula: C44 H42 Cu2 N11 O4 P3
• SMILES: [Cu]123[N](N(P4(=NP(=NP5(=N4)N([N]4[Cu]6([N](N5C)=Cc5ccccc5O6)Oc5ccccc5C=4)C)(c4ccccc4)c4ccccc4)N([N]1=Cc1ccccc1O3)C)C)=Cc1ccccc1O2
• Title of publication: Cyclophosphazene-Supported Tetranuclear Copper Assembly Containing 15 Contiguous Inorganic Rings
• Authors of publication: Vadapalli Chandrasekhar; Gurusamy Thangavelu Senthil Andavan; Ramachandran Azhakar; Balasubramanian Murugesa Pandian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1922 - 1924
• a: 11.171 ± 0.002 Å
• b: 14.508 ± 0.003 Å
• c: 18.592 ± 0.004 Å
• α: 104.97 ± 0.03°
• β: 101.4 ± 0.03°
• γ: 107.64 ± 0.03°
• Cell volume: 2646.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No