Information card for entry 4333615

Structure parameters

• Formula: C40 H38 Cu N4 O6 P2
• Calculated formula: C40 H38 Cu N4 O6 P2
• SMILES: C1(=c2ccc3=C(P(=O)(OCC)OCC)c4[n]5[Cu]6(n23)[n]2c1ccc2=C(P(=O)(OCC)OCC)c1n6c(C(=c5cc4)c2ccccc2)cc1)c1ccccc1
• 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: 19.565 ± 0.006 Å
• b: 20.676 ± 0.007 Å
• c: 9.063 ± 0.003 Å
• α: 90°
• β: 94.445 ± 0.005°
• γ: 90°
• Cell volume: 3655 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No