Information card for entry 4333617

Structure parameters

• Formula: C48 H54 Cu N4 O10 P2
• Calculated formula: C48 H54 Cu N4 O10 P2
• SMILES: O1CCOCC1.[Cu]123[n]4c5ccc4=C(c4ccc(C(=c6ccc(C(=c7ccc(=C5P(=O)(OCC)OCC)n27)c2ccccc2)[n]16)P(=O)(OCC)OCC)n34)c1ccccc1.O1CCOCC1
• Title of publication: Unusual Formation of a Stable 2D Copper Porphyrin Network
• Authors of publication: Anna A. Sinelshchikova; Sergey E. Nefedov; Yulia Yu. Enakieva; Yulia G. Gorbunova; Aslan Yu. Tsivadze; Karl M. Kadish; Ping Chen; Alla Bessmertnykh-Lemeune; Christine Stern; Roger Guilard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 999 - 1008
• a: 9.657 ± 0.002 Å
• b: 11.28 ± 0.003 Å
• c: 11.705 ± 0.003 Å
• α: 71.456 ± 0.004°
• β: 72.223 ± 0.004°
• γ: 77.807 ± 0.004°
• Cell volume: 1141.9 ± 0.5 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: 0.1142
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No