Information card for entry 4339301

Structure parameters

• Formula: C62 H126 Cu3 Mo2 N36 O16
• Calculated formula: C58 H102 Cu3 Mo2 N34 O16
• Title of publication: Bimetallic M(V)(2)Cu(II)(3) (M = Mo, W) coordination complexes based on octacyanometalates: structures and magnetic variations tuned by chelated tetradentate macrocyclic ligands.
• Authors of publication: Lim, Jeong Hak; You, Young Sin; Yoo, Houng Sik; Yoon, Jung Hee; Kim, Jae Il; Koh, Eui Kwan; Hong, Chang Seop
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10578 - 10586
• a: 9.8095 ± 0.0002 Å
• b: 15.5889 ± 0.0003 Å
• c: 16.0992 ± 0.0004 Å
• α: 70.227 ± 0.001°
• β: 85.276 ± 0.001°
• γ: 85.967 ± 0.001°
• Cell volume: 2306.49 ± 0.09 ų
• Cell temperature: 30 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No