Information card for entry 2013104

Structure parameters

• Formula: C16 H24 Cl6 Cu3 N16
• Calculated formula: C16 H24 Cl6 Cu3 N16
• SMILES: [Cu]1([n]2nn(nc2)CC=C)[Cl][Cu]2([Cl]1)([n]1nn(nc1)CC=C)[Cl][Cu]1([Cl]2)([n]2n(ncn2)CC=C)([n]2nn(nc2)CC=C)[Cl][Cu]2([Cl]1)([n]1nn(nc1)CC=C)[Cl][Cu]1([Cl]2)([n]2nn(nc2)CC=C)[Cl][Cu]([Cl]1)([n]1n(ncn1)CC=C)([n]1nn(nc1)CC=C)(Cl)Cl
• Title of publication: <i>catena</i>-Poly[[tetrakis(2-allyltetrazole-κ<i>N</i>^4^)-tetra-μ-chloro-tricopper(II)]-di-μ-chloro]
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Matulis, Vadim E.; Matulis, Vitaly E.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m90 - m92
• a: 9.7204 ± 0.0014 Å
• b: 23.495 ± 0.002 Å
• c: 14.541 ± 0.003 Å
• α: 90°
• β: 107.578 ± 0.014°
• γ: 90°
• Cell volume: 3165.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes