Information card for entry 7215941

Structure parameters

• Formula: C38 H26 Cl6 Cu2 I2 N4 O8
• Calculated formula: C36 H24 Cu2 I2 N4 O8
• 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: 9.236 ± 0.002 Å
• b: 8.784 ± 0.002 Å
• c: 29.629 ± 0.007 Å
• α: 90°
• β: 96.361 ± 0.008°
• γ: 90°
• Cell volume: 2389 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.2529
• Goodness-of-fit parameter for all reflections included in the refinement: 2.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No