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Information card for entry 7702698
Preview
Coordinates | 7702698.cif |
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Original paper (by DOI) | HTML |
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-chloro-18-diethylaminobicyclo-[6.6.6]eicosa- 3,5,10,12,16,18-hexaene iron(II)x(C6H6) |
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Formula | C40 H36 B2 Cl F2 Fe N7 O6 |
Calculated formula | C40 H36 B2 Cl F2 Fe N7 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 | 17.077 ± 0.003 Å |
b | 21.551 ± 0.004 Å |
c | 21.58 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7942 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0982 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections | 0.2201 |
Weighted residual factors for significantly intense reflections | 0.1884 |
Goodness-of-fit parameter for all reflections | 1.069 |
Goodness-of-fit parameter for significantly intense reflections | 1.206 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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