Information card for entry 4061855

Structure parameters

• Formula: C42 H38 Fe N5 O5 P3
• Calculated formula: C42 H38 Fe N5 O5 P3
• SMILES: [Fe]12345678([c]9(C=NN(P%11(Oc%12ccccc%12)=NP(Oc%12ccccc%12)(Oc%12ccccc%12)=NP(Oc%12ccccc%12)(Oc%12ccccc%12)=N%11)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 10.9501 ± 0.0012 Å
• b: 16.4398 ± 0.0018 Å
• c: 21.431 ± 0.002 Å
• α: 90°
• β: 92.249 ± 0.002°
• γ: 90°
• Cell volume: 3854.9 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No