Information card for entry 4305361

Structure parameters

• Formula: C62 H72 Al2 Mo2 N2
• Calculated formula: C62 H72 Al2 Mo2 N2
• SMILES: [cH]12[cH]3[Mo]456789%10%11%122[cH]1[cH]6[c]4([cH]35)[Al]1([c]23[cH]4[cH]5[cH]6[cH]%13[cH]2[Mo]2%14%15%16%173456%13[c]3([cH]%17[cH]%16[cH]%15[cH]%14[cH]23)[Al]2([c]37[cH]%12[cH]%11[cH]%10[cH]9[cH]83)[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: 10.4377 ± 0.0004 Å
• b: 11.651 ± 0.0004 Å
• c: 11.6514 ± 0.0004 Å
• α: 73.545 ± 0.003°
• β: 89.318 ± 0.002°
• γ: 76.12 ± 0.002°
• Cell volume: 1316.82 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No