Information card for entry 7215945

Structure parameters

• Formula: C37 H29 Cl3 Cu F12 N4 O10 P2
• Calculated formula: C37 H24 Cl3 Cu F12 N4 O10 P2
• Title of publication: 1D, 2D and 3D coordination polymers of 1,3-phenylene diisonicotinate with Cu(i)/Cu(ii): Cu2I2 building block, anion influence and guest inclusions
• Authors of publication: Mukherjee, Gargi; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4701
• a: 17.615 ± 0.003 Å
• b: 15.56 ± 0.002 Å
• c: 19.211 ± 0.003 Å
• α: 90°
• β: 115.087 ± 0.004°
• γ: 90°
• Cell volume: 4768.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No