Information card for entry 4321087

Structure parameters

• Chemical name: Ag(dmb)2(TCNQ)0.5(TCNQ) 0.5(Toluene)
• Formula: C46.5 H46 Ag N9
• Calculated formula: C46.5 H46 Ag N9
• Title of publication: Preparation and Characterization of {[M(dmb)2]TCNQ.xTCNQ° }n Polymers (M = Cu,Ag; dmb = 1,8-Diisocyano-p-menthane; x = 0, 0.5, 1.0, 1.5; TCNQ = 7,7,8,8-Tetracyano-p-quinodimethane) and Design of New Semi- and Photoconducting Organometallic Materials
• Authors of publication: Daniel Fortin; Marc Drouin; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2758 - 2769
• a: 14.3669 ± 0.0019 Å
• b: 9.1659 ± 0.0003 Å
• c: 34.012 ± 0.003 Å
• α: 90°
• β: 92.14 ± 0.008°
• γ: 90°
• Cell volume: 4475.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No