Information card for entry 4341137

Structure parameters

• Formula: C62 H80 Br2 Mn N22 O9 W Zn
• Calculated formula: C62 H70 Br2 Mn N22 O8.99 W Zn
• Title of publication: Synthesis, Crystal Structures, and Magnetic Properties of Cyanide-Bridged W(V)Mn(III) Anionic Coordination Polymers Containing Divalent Cationic Moieties: Slow Magnetic Relaxations and Spin Crossover Phenomenon.
• Authors of publication: Yoon, Jung Hee; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10437 - 10442
• a: 10.816 ± 0.0006 Å
• b: 13.8608 ± 0.0008 Å
• c: 24.5131 ± 0.0015 Å
• α: 89.373 ± 0.002°
• β: 89.037 ± 0.002°
• γ: 84.84 ± 0.002°
• Cell volume: 3659.4 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No