Information card for entry 4335552

Structure parameters

• Formula: C34 H29 Mn N10 O5.5 W
• Calculated formula: C34 H26 Mn N10 O5.5 W
• SMILES: [W]1(C#N)(C#N)(C#N)(C#N)(C#N)([n]2ccccc2c2[n]1cccc2)C#[N][Mn]123([N](CC[N]1=Cc1c(O3)cc(OC)cc1)=Cc1ccc(OC)cc1O2)[N]#C[W]1(C#N)(C#N)(C#N)(C#N)([n]2ccccc2c2[n]1cccc2)C#[N][Mn]123[N](CC[N]3=Cc3c(O2)cc(OC)cc3)=Cc2ccc(OC)cc2O1.O.O.O
• Title of publication: Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation
• Authors of publication: Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8677 - 8684
• a: 34.516 ± 0.005 Å
• b: 9.1596 ± 0.0014 Å
• c: 21.727 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6869.1 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No