Information card for entry 7227686

Structure parameters

• Formula: C16 H18 Cl3 N5 O2 Zn
• Calculated formula: C16 H18 Cl3 N5 O2 Zn
• SMILES: [Zn]12(Cl)(Cl)[N](=C(c3cccc[n]13)N)NC(c1ccccc1Cl)=[O]2.N(C=O)(C)C
• Title of publication: Impact of the complementary electronic nature of C‒X and M‒X halogens and intramolecular X⋯O interaction on supramolecular assemblies of Zn(ii) complexes of o-halophenyl substituted hydrazides
• Authors of publication: Mandal, Arkalekha; Patel, Bhisma K.; Shukla, Rahul; Chopra, Deepak
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 12
• Pages of publication: 1607
• a: 24.5875 ± 0.0009 Å
• b: 9.1372 ± 0.0003 Å
• c: 19.5598 ± 0.0007 Å
• α: 90°
• β: 109.513 ± 0.002°
• γ: 90°
• Cell volume: 4141.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No