Information card for entry 2008858

Structure parameters

• Chemical name: Aqua(urea)hydroxo[9-(1,8-diaza-fluoren-9-ylidene)amino-1,8- diazafluorenato]zinc(II) Urea Solvate.
• Formula: C24 H23 N9 O4 Zn
• Calculated formula: C24 H23 N9 O4 Zn
• SMILES: [Zn]12([OH2])(O)([O]=C(N)N)n3cccc4c5cccnc5c(N1c1c5ncccc5c5cccn2c15)c34.O=C(N)N
• Title of publication: Aqua[9-(1,8-diazafluoren-9-ylidene)amino-1,8-diazafluorenato]hydroxo(urea)zinc(II) urea solvate
• Authors of publication: Komen, Raymond P.; Miskelly, Gordon M.; Oliver, Allen; Rickard, Clifton E. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1213 - 1215
• a: 7.8637 ± 0.0003 Å
• b: 16.0133 ± 0.0005 Å
• c: 17.9513 ± 0.0006 Å
• α: 90°
• β: 101.358 ± 0.001°
• γ: 90°
• Cell volume: 2216.23 ± 0.13 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No