Information card for entry 8000048

Structure parameters

• Chemical name: catena-bis(N-isonicotinamide)cadmium(II) -bis(/m-thiocyanato-N,N',S,S')(9,10-dichloroanthracene)
• Formula: C21 H16 Cd Cl N6 O2 S2
• Calculated formula: C21 H16 Cd Cl N6 O2 S2
• Title of publication: A New Inclusion Compound Consisting of 2D Coordination Layers of [Cd(SCN)2]∞ and Pillars of Isonicotinamide Dimers
• Authors of publication: Ryo Sekiya; Shin-ichi Nishikiori
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1076
• a: 33.277 ± 0.0016 Å
• b: 9.9276 ± 0.0004 Å
• c: 16.2019 ± 0.0002 Å
• α: 90°
• β: 118.459 ± 0.002°
• γ: 90°
• Cell volume: 4705.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No