Information card for entry 7004786

Structure parameters

• Formula: C22 H22 N2 P2 Se3
• Calculated formula: C22 H22 N2 P2 Se3
• SMILES: [Se]=[P@@]1([Se][P@@](=[Se])(N=C1NCCCc1ccccc1)c1ccccc1)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: 14.813 ± 0.003 Å
• b: 16.104 ± 0.002 Å
• c: 9.7349 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2322.2 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No