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Information card for entry 4345562
Preview
Coordinates | 4345562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H70 Cl8 In2 N8 O14 P2 |
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Calculated formula | C82 H70 Cl8 In2 N8 O14 P2 |
SMILES | n12[In]345([n]6c7=C(c2ccc1C(=c1[n]4c(C(=c2n3c(=Cc6cc7)cc2)c3ccc(cc3)C(=O)OC)cc1)P(=[O][In]123(n4c6=C(P(=[O]5)(OCC)OCC)c5[n]1c(=C(c4n3c(C=c1[n]2c(C(=c4cc6)c2ccc(C(=O)OC)cc2)cc1)cc4)c2ccc(C(=O)OC)cc2)cc5)Cl)(OCC)OCC)c1ccc(C(=O)OC)cc1)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester. |
Authors of publication | Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger |
Journal of publication | Inorganic chemistry |
Year of publication | 2017 |
Journal volume | 56 |
Journal issue | 5 |
Pages of publication | 3055 - 3070 |
a | 12.878 ± 0.005 Å |
b | 12.999 ± 0.005 Å |
c | 14.3 ± 0.006 Å |
α | 98.088 ± 0.007° |
β | 114.435 ± 0.006° |
γ | 90.425 ± 0.007° |
Cell volume | 2152 ± 1.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2159 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.157 |
Weighted residual factors for all reflections included in the refinement | 0.2147 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4345562.html
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