Information card for entry 8101414

Structure parameters

• Formula: C29 H38 Ce N5 O4 S3
• Calculated formula: C29 H38 Ce N5 O4 S3
• SMILES: [Ce]12345([O]6CC[N]4(Cc4ccccc4)CC[O]3CC[O]2CC[N]5(CC[O]1CC6)Cc1ccccc1)(N=C=S)(N=C=S)N=C=S
• Title of publication: Crystal structure of N,N'-dibenzyl-1,14,10,13-tetraoxa-7,16- diazacyclooctadecane cerium(III) thiocyanate, C~29~H~38~CeN~5~O~4~S~3~
• Authors of publication: Saleh, Muhammad Idiris; Salhin, Abdussalam; Talipov, Samat; Saad, Bahruddin; Fun, Hoong-Kun; Razak Ibrahim, Abdul
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 45 - 46
• a: 15.597 ± 0.002 Å
• b: 9.688 ± 0.001 Å
• c: 21.931 ± 0.003 Å
• α: 90°
• β: 94.17 ± 0.01°
• γ: 90°
• Cell volume: 3305.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0808
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No