Information card for entry 7040080

Structure parameters

• Formula: C40 H53 Cl N5 Zn
• Calculated formula: C40 H53 Cl N5 Zn
• SMILES: [Zn]12(Cl)([n]3c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)cccc3C(=[N]2c1c(cccc1C(C)C)C(C)C)C)[n]1ccc(N(C)C)cc1
• Title of publication: Unique molecular geometries of reduced 4- and 5-coordinate zinc complexes stabilised by diiminopyridine ligand.
• Authors of publication: Chu, Terry; Belding, Lee; Poddutoori, Prashanth K.; van der Est, Art; Dudding, Travis; Korobkov, Ilia; Nikonov, Georgii I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13440 - 13448
• a: 8.8613 ± 0.0004 Å
• b: 12.6319 ± 0.0006 Å
• c: 17.9853 ± 0.0008 Å
• α: 108.549 ± 0.002°
• β: 90.012 ± 0.002°
• γ: 93.205 ± 0.002°
• Cell volume: 1905.27 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No