Information card for entry 8101134

Structure parameters

• Formula: C25 H16 N6 O3 Pb S
• Calculated formula: C25 H16 N6 O3 Pb S
• SMILES: [Pb]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)([O]=N(O3)=O)N=C=S
• Title of publication: Crystal structure of meso nitrato-O,O'-bis(1,10-phenantroline) isothiocyanatolead (II), C~25~H~16~N~6~O~3~PbS
• Authors of publication: Morsali, Ali; Mahjoub, Ali Reza
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 601 - 602
• a: 8.398 ± 0.004 Å
• b: 9.743 ± 0.004 Å
• c: 16.006 ± 0.009 Å
• α: 72.78 ± 0.04°
• β: 84.75 ± 0.04°
• γ: 76.35 ± 0.03°
• Cell volume: 1215.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1024
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No