Information card for entry 7212417

Structure parameters

• Formula: C62 H48 N8 Zn
• Calculated formula: C62 H48 N8 Zn
• SMILES: c1ccc2C(=c3ccc[n]3[Zn]3(n12)[n]1cccc1=C(c1cccn31)c1ccc(cc1)c1c[nH]c2c1cccn2)c1ccc(cc1)c1c[nH]c2c1cccn2.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin
• Authors of publication: Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2238
• a: 13.7544 ± 0.0003 Å
• b: 14.2777 ± 0.0003 Å
• c: 14.5027 ± 0.0006 Å
• α: 100.014 ± 0.001°
• β: 92.705 ± 0.001°
• γ: 117.282 ± 0.001°
• Cell volume: 2466.34 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No