Information card for entry 8103188

Structure parameters

• Chemical name: mono(1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole)-bis(1,10-phenanthroline) copper(II) tetrachlorate— methanol(1:1.5)[Cu(C~8~H~5~N~4~O~2~S)(C~12~H~8~N~2~)~2~]][ClO~4~].1.5CH~3~OH
• Formula: C33.5 H27 Cl Cu N8 O7.5 S
• Calculated formula: C33.5 H27 Cl Cu N8 O7.5 S
• Title of publication: Crystal structure of [1-(4-carboxyphenyl)-5-mercapto-1H-tetrazole]-bis(1,10-phenanthroline)copper(II) perchlorate — methanol (1:1.5), [Cu(C8H5N4O2S)(C12H8N2)2][ClO4] • 1.5CH3OH
• Authors of publication: Jing Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 4
• Pages of publication: 491
• a: 9.4707 ± 0.0008 Å
• b: 12.4239 ± 0.0008 Å
• c: 16.9518 ± 0.0011 Å
• α: 97.342 ± 0.005°
• β: 103.227 ± 0.006°
• γ: 110.257 ± 0.007°
• Cell volume: 1774.2 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No