Information card for entry 7053647

Structure parameters

• Common name: work
• Formula: C21 H26 Cd I2 N6 S2
• Calculated formula: C21 H26 Cd I2 N6 S2
• Title of publication: Solvent-mediated conformational similarities within a series of 1D coordination polymers constructed from a new flexible ditopic bis-imidazole ligand
• Authors of publication: Potts, Storm V.; Barbour, Leonard J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2451
• a: 9.6481 ± 0.0009 Å
• b: 11.2186 ± 0.001 Å
• c: 14.1622 ± 0.0013 Å
• α: 112.023 ± 0.001°
• β: 91.681 ± 0.002°
• γ: 101.926 ± 0.002°
• Cell volume: 1380.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No