Information card for entry 7202551

Structure parameters

• Formula: C14 H12 Cd N10 Se2
• Calculated formula: C14 H12 Cd N10 Se2
• SMILES: [Cd]12([n]3cc[nH]c3c3[nH]cc[n]13)([n]1cc[nH]c1c1[nH]cc[n]21)([Se]C#N)[Se]C#N
• Title of publication: Towards rational design of supramolecular helices using linear pseudohalides in Cd(ii) - 2,2?-biimidazole system
• Authors of publication: Jana, Atish Dipankar; Ghosh, Ananta Kumar; Ghoshal, Debajyoti; Mostafa, Golam; Chaudhuri, Nirmalendu Ray
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 304
• a: 7.6958 ± 0.0002 Å
• b: 7.6958 ± 0.0002 Å
• c: 28.592 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1466.5 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 153
• Hermann-Mauguin space group symbol: P 32 1 2
• Hall space group symbol: P 32 2 (0 0 2)
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No