Information card for entry 4305360

Structure parameters

• Formula: C62 H72 Cr2 Ga2 N2
• Calculated formula: C62 H72 Cr2 Ga2 N2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[cH]1[Cr]189%10%1124567[c]2([cH]1[cH]8[cH]9[cH]%10[cH]%112)[Ga]1([c]24[cH]5[cH]6[cH]7[cH]8[cH]2[Cr]29%10%11%1245678[c]4([cH]2[cH]9[cH]%10[cH]%11[cH]%124)[Ga]23[N](Cc3c2cc(cc3)C(C)(C)C)(C)C)[N](Cc2c1cc(cc2)C(C)(C)C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Characterization of Aluminum- and Gallium-Bridged [1.1]Chromarenophanes and [1.1]Molybdarenophanes
• Authors of publication: Clinton L. Lund; Jörg A. Schachner; Ian J. Burgess; J. Wilson Quail; Gabriele Schatte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5992 - 6000
• a: 10.8428 ± 0.0002 Å
• b: 19.4844 ± 0.0004 Å
• c: 12.4958 ± 0.0002 Å
• α: 90°
• β: 100.619 ± 0.0012°
• γ: 90°
• Cell volume: 2594.72 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No