Information card for entry 4101083

Structure parameters

• Formula: C100 H96 Fe2 P4
• Calculated formula: C100 H96 Fe2 P4
• SMILES: [Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1ccc(cc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 14.7336 ± 0.0003 Å
• b: 16.8011 ± 0.0003 Å
• c: 17.938 ± 0.0003 Å
• α: 86.81 ± 0.001°
• β: 67.92 ± 0.001°
• γ: 82.818 ± 0.001°
• Cell volume: 4082.26 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No