Information card for entry 7004788

Structure parameters

• Formula: C16 H19 N2 P Se2
• Calculated formula: C16 H19 N2 P Se2
• SMILES: [Se-]P(=[Se])(C(=[NH2+])NCCCc1ccccc1)c1ccccc1
• Title of publication: From phenylalkylcyanamides to heterocyclic selenazadiphospholaminediselenides and carbamidoyl(phenyl)phosphinodiselenoic acids
• Authors of publication: Hua, Guoxiong; Zhang, Qingzhi; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5563 - 5566
• a: 13.1547 ± 0.0007 Å
• b: 7.4543 ± 0.0004 Å
• c: 35.8185 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No