Information card for entry 7128227

Structure parameters

• Formula: C88 H132 N4 Zn2
• Calculated formula: C88 H132 N4 Zn2
• Title of publication: Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state.
• Authors of publication: Rajendran, N. M.; Gautam, Nimisha; Sarkar, Pallavi; Ahmed, Jasimuddin; Das, Arpan; Das, Shubhajit; Pati, Swapan K.; Mandal, Swadhin K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 43
• Pages of publication: 5282 - 5285
• a: 9.85 ± 0.0004 Å
• b: 12.5419 ± 0.0005 Å
• c: 16.7728 ± 0.0006 Å
• α: 79.912 ± 0.003°
• β: 85.521 ± 0.003°
• γ: 70.669 ± 0.004°
• Cell volume: 1924.57 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No