Information card for entry 7707497

Structure parameters

• Formula: C64 H38 Fe2 Mo N16 O12
• Calculated formula: C64 Fe2 N16 Nb O12
• Title of publication: Second harmonic generation on chiral cyanido-bridged Fe^II-Nb^IV spin-crossover complexes.
• Authors of publication: Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 24
• Pages of publication: 8524 - 8532
• a: 35.709 ± 0.004 Å
• b: 35.709 ± 0.004 Å
• c: 35.709 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45534 ± 9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Goodness-of-fit parameter for all reflections: 2.3312
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No