Information card for entry 4061592

Structure parameters

• Formula: C204 H180 Fe4 N8 P8
• Calculated formula: C204 Fe4 N8 P8
• SMILES: [Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)C#Cc1c2ccccc2c(c2ccccc12)C#C[Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.N#C[C-](c1ccc(cc1)[C-](C#N)C#N)C#N
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 21.6066 ± 0.0002 Å
• b: 29.4422 ± 0.0002 Å
• c: 31.0882 ± 0.0003 Å
• α: 90°
• β: 91.023 ± 0.001°
• γ: 90°
• Cell volume: 19773.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No