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Information card for entry 7702697
Preview
| Coordinates | 7702697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702697.cif |
| 243964 | 2019-11-28 | cif/ Adding structures of 7702697, 7702698, 7702699 via cif-deposit CGI script. |
7702697.cif |
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Users of the data should acknowledge the original authors of the
structural data.