Information card for entry 7060636

Structure parameters

• Common name: P -1
• Chemical name: triclinic
• Formula: C32 H52 Cu2 N36 O14
• Calculated formula: C32 H52 Cu2 N36 O14
• SMILES: [Cu]1([OH2])([n]2nnn(C3CC3)c2)([n]2nnn(c2)C2CC2)([n]2[n](nn(c2)C2CC2)[Cu]([OH2])([n]2nnn(C3CC3)c2)([n]2nnn(c2)C2CC2)([n]2[n]1nn(c2)C1CC1)[n]1nnn(c1)C1CC1)[n]1nnn(c1)C1CC1.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles
• Authors of publication: Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 11042 - 11050
• a: 11.2105 ± 0.0007 Å
• b: 11.3324 ± 0.0008 Å
• c: 11.4691 ± 0.0007 Å
• α: 104.328 ± 0.006°
• β: 106.897 ± 0.005°
• γ: 91.541 ± 0.005°
• Cell volume: 1343.09 ± 0.16 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No