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Information card for entry 7114442
Preview
Coordinates | 7114442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H72 Fe2 N8 O2 |
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Calculated formula | C96 H72 Fe2 N8 O2 |
SMILES | c12ccc3n1[Fe]145[n]6c(C=3c3ccccc3)ccc6=C(c3ccccc3)C3=[N](C=C(C53)C(=c3ccc(C=2c2ccccc2)[n]13)c1ccccc1)[Fe]123[n]5c6ccc5C(=c5ccc(n15)=C(c1[n]2c(cc1)=C(C1=[N]4C=C(C31)C=6c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1 |
Title of publication | Dimeric iron n-confused porphyrin complexesElectonic supplementary information (ESI) available: general information; preparation and crystal data for 6 and 7; Fig. S1: absorption spectra for 6 and 7; Figs. S2 and S3: magnetic susceptibility data for 6 and 7. See http://www.rsc.org/suppdata/cc/b2/b202679a/ |
Authors of publication | Hung, Chen-Hsiung; Chen, Wan-Chin; Lee, Gene-Hsiang; Peng, Shie-Ming |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 14 |
Pages of publication | 1516 |
a | 15.867 ± 0.005 Å |
b | 20.697 ± 0.006 Å |
c | 22.397 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7355 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.2719 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1546 |
Weighted residual factors for all reflections included in the refinement | 0.1788 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
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/7114442.html
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