Information card for entry 8101593

Structure parameters

• Formula: C18 H12 Cl2 Fe N5
• Calculated formula: C18 H12 Cl2 Fe N5
• SMILES: [Fe]12(Cl)(Cl)[n]3c(N=C4N1C(=Nc1[n]2cccc1)c1c4cccc1)cccc3
• Title of publication: Crystal structure of 1,3-bis(2'-pyridylimino)isoindolinato(dichloro) iron(III), Fe(C~18~H~12~N~5~)Cl~2~
• Authors of publication: Balogh-Hergovich, Éva; Speier, Gábor; Tapodi, Beáta; Réglier, Marius; Giorgi, Michel
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 579 - 580
• a: 8.8039 ± 0.0005 Å
• b: 9.6444 ± 0.0004 Å
• c: 11.3739 ± 0.0006 Å
• α: 78.47 ± 0.003°
• β: 77.976 ± 0.002°
• γ: 76.058 ± 0.002°
• Cell volume: 905.2 ± 0.1 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.049
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No