Information card for entry 4340473

Structure parameters

• Formula: C86 H94 Cs N3 O
• Calculated formula: C86 H94 Cs N3 O
• Title of publication: Synthesis of a "Super Bulky" Guanidinate Possessing an Expandable Coordination Pocket.
• Authors of publication: Maity, Arnab K.; Fortier, Skye; Griego, Leonel; Metta-Magaña, Alejandro J
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 8155
• a: 47.125 ± 0.003 Å
• b: 13.7727 ± 0.0009 Å
• c: 22.1743 ± 0.0014 Å
• α: 90°
• β: 92.324 ± 0.001°
• γ: 90°
• Cell volume: 14380.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No