Information card for entry 7241339

Structure parameters

• Chemical name: ZnCl2N4C63H54
• Formula: C63 H54 Cl2 N4 Zn
• Calculated formula: C63 H54 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(ccc2C(c2ccccc2)(C)c2[n]1c(cc2)=CNC(c1ccccc1)(c1ccccc1)c1ccccc1)=CNC(c1ccccc1)(c1ccccc1)c1ccccc1.c1c(C)cccc1
• 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: 11.8769 ± 0.0003 Å
• b: 13.4192 ± 0.0004 Å
• c: 17.2498 ± 0.0004 Å
• α: 85.646 ± 0.002°
• β: 89.156 ± 0.002°
• γ: 73.944 ± 0.003°
• Cell volume: 2634.32 ± 0.13 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0642
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0445
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No