Information card for entry 4339302

Structure parameters

• Formula: C62 H126 Cu3 N36 O16 W2
• Calculated formula: C58 H96 Cu3 N34 O16 W2
• 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: 9.8329 ± 0.0002 Å
• b: 15.5828 ± 0.0004 Å
• c: 16.0557 ± 0.0004 Å
• α: 70.395 ± 0.001°
• β: 85.15 ± 0.001°
• γ: 85.831 ± 0.001°
• Cell volume: 2306.63 ± 0.1 ų
• Cell temperature: 130 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: 0.0548
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No