Information card for entry 7005372

Structure parameters

• Formula: C18 H33 Cl Mn0.5 N6 Ni O4.5 S2
• Calculated formula: C18 H33 Cl Mn0.5 N6 Ni O4.5 S2
• Title of publication: Trinuclear thiocyanate-bridged compounds of the type [ML]2[Mn(NCS)4](ClO4)2 (where M = Cu(II), Ni(II); L = N-dl-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene).
• Authors of publication: Bieńko, Alina; Kłak, Julia; Mroziński, Jerzy; Boca, Roman; Brüdgam, Irene; Hartl, Hans
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2681 - 2688
• a: 21.018 ± 0.005 Å
• b: 7.6267 ± 0.0016 Å
• c: 16.295 ± 0.004 Å
• α: 90°
• β: 104.475 ± 0.005°
• γ: 90°
• Cell volume: 2529.1 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No