Information card for entry 4116164

Structure parameters

• Formula: C26 H21 Cr Mn N3 O12
• Calculated formula: C26 H21.4 Cr Mn N3 O12
• Title of publication: Structure and NLO Properties of Layered Bimetallic Oxalato-Bridged Ferromagnetic Networks Containing Stilbazolium-Shaped Chromophores
• Authors of publication: S. Bénard; P. Yu; J. P. Audière; E. Rivière; R. Clément; J. Guilhem; L. Tchertanov; K. Nakatani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9444 - 9454
• a: 9.5274 ± 0.0002 Å
• b: 15.7802 ± 0.0004 Å
• c: 20.4054 ± 0.0004 Å
• α: 90°
• β: 76.51 ± 0.001°
• γ: 90°
• Cell volume: 2983.2 ± 0.11 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: 0.0673
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No