Information card for entry 7241337

Structure parameters

• Chemical name: C84H98N8Zn
• Formula: C84 H98 N8 Zn
• Calculated formula: C84 H98 N8 Zn
• SMILES: [Zn]12(n3c(C=[N]2c2c(cccc2C(C)C)C(C)C)ccc3[C@](c2[nH]c(cc2)/C=N/c2c(cccc2C(C)C)C(C)C)(c2ccccc2)C)[N](=Cc2n1c(cc2)[C@@](c1[nH]c(/C=N/c2c(C(C)C)cccc2C(C)C)cc1)(C)c1ccccc1)c1c(cccc1C(C)C)C(C)C.[Zn]12(n3c(C=[N]2c2c(cccc2C(C)C)C(C)C)ccc3[C@@](c2[nH]c(cc2)/C=N/c2c(cccc2C(C)C)C(C)C)(c2ccccc2)C)[N](=Cc2n1c(cc2)[C@](c1[nH]c(/C=N/c2c(C(C)C)cccc2C(C)C)cc1)(C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines
• Authors of publication: Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 60
• Pages of publication: 36275 - 36286
• a: 13.0663 ± 0.0001 Å
• b: 12.9391 ± 0.0001 Å
• c: 46.62 ± 0.0005 Å
• α: 90°
• β: 98.001 ± 0.001°
• γ: 90°
• Cell volume: 7805.14 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No