Information card for entry 7702697

Structure parameters

• Chemical name: 1,8-Bis(fluoroboro)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19- hexaaza-4,5,11,12-tetraphenyl-17,18-dichlorobicyclo-[6.6.6]eicosa- 3,5,10,12,16,18-hexaene iron(II)x 2(C6H6)
• Formula: C42 H32 B2 Cl2 F2 Fe N6 O6
• Calculated formula: C42 H32 B2 Cl2 F2 Fe N6 O6
• Title of publication: Clathrochelate monoribbed-functionalized iron(ii) α-dioximates: synthetic pathways and structural and electrochemical features
• Authors of publication: Voloshin, Yan Z.; Zavodnik, Valery E.; Varzatskii, Oleg A.; Belsky, Vitaly K.; Palchik, Aleksei V.; Strizhakova, Nataly G.; Vorontsov, Ivan I.; Antipin, Mikhail Yu.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1193
• a: 14.754 ± 0.002 Å
• b: 10.3386 ± 0.0011 Å
• c: 27.126 ± 0.003 Å
• α: 90°
• β: 90.942 ± 0.002°
• γ: 90°
• Cell volume: 4137.1 ± 0.8 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.1119
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No