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Information card for entry 7209744
Preview
| Coordinates | 7209744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H104 Cr2 Mn2 N20 O10 |
|---|---|
| Calculated formula | C134 H104 Cr2 Mn2 N20 O10 |
| SMILES | n12c3=C(c4ccc5=C(c6n7[Mn]2([OH]C)([n]45)([OH]C)[n]2c(C(=c1cc3)c1ccccc1)ccc2=C(c1ccccc1)c7cc6)c1ccccc1)c1ccccc1.OC.O.[Mn]123([N]#C[Cr]456(C#N)N(c7c(cc(cc7)C)N4C(=O)c4[n]5cccc4)C(=O)c4[n]6cccc4)([N]#C[Cr]456(C#N)N(c7c(cc(cc7)C)N4C(=O)c4[n]5cccc4)C(=O)c4[n]6cccc4)n4c5=C(c6ccccc6)c6[n]3c(=C(c3n1c(C(=c1[n]2c(C(=c4cc5)c2ccccc2)cc1)c1ccccc1)cc3)c1ccccc1)cc6.OC.O |
| Title of publication | Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties |
| Authors of publication | Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 13 |
| Pages of publication | 2504 |
| a | 12.1273 ± 0.0011 Å |
| b | 13.8348 ± 0.0014 Å |
| c | 20.0191 ± 0.0018 Å |
| α | 73.539 ± 0.006° |
| β | 73.108 ± 0.006° |
| γ | 70.312 ± 0.006° |
| Cell volume | 2961.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1773 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.2169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180428 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/97. |
7209744.cif |
| 86086 | 2013-05-09 | cif/ Adding structures of 7209744, 7209745, 7209746, 7209747, 7209748, 7209749 via cif-deposit CGI script. |
7209744.cif |
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Users of the data should acknowledge the original authors of the
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