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Information card for entry 4086692
Preview
Coordinates | 4086692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C160 H200 Fe4 N8 O8 Zn4 |
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Calculated formula | C160 H200 Fe4 N8 O8 Zn4 |
SMILES | [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[N]1[Zn]2([N]([c]34[cH]%10[cH]%11[cH]%12[cH]3[Fe]3%13%14%154%10%11%12[c]4([cH]%15[cH]%14[cH]%13[cH]34)[N]3[Zn]4([N]([c]%10%11[cH]%12[Fe]%13%14%15%16%17%18%10([c]%10([cH]%16[cH]%15[cH]%14[cH]%13%10)[N]%10[Zn]%13([N]([c]%14%15[cH]%16[cH]%19[cH]%20[cH]%14[Fe]%14%21%22%23%15%16%19%20[c]%15([cH]%23[cH]%22[cH]%21[cH]%14%15)[N]%14[Zn]%15([N]([c]%165[cH]9[cH]8[cH]7[cH]6%16)=Cc5c(O%15)c(cc(c5)C(C)(C)C)C(C)(C)C)Oc5c(C=%14)cc(cc5C(C)(C)C)C(C)(C)C)=Cc5c(O%13)c(cc(c5)C(C)(C)C)C(C)(C)C)Oc5c(C=%10)cc(cc5C(C)(C)C)C(C)(C)C)[cH]%11[cH]%17[cH]%12%18)=Cc5c(O4)c(cc(c5)C(C)(C)C)C(C)(C)C)Oc4c(C=3)cc(cc4C(C)(C)C)C(C)(C)C)=Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)Oc2c(C=1)cc(cc2C(C)(C)C)C(C)(C)C |
Title of publication | Redox-Switchable Hydroelementation of a Cobalt Complex Supported by a Ferrocene-Based Ligand |
Authors of publication | Shepard, Scott M.; Diaconescu, Paula L. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 15 |
Pages of publication | 2446 |
a | 30.138 ± 0.002 Å |
b | 30.138 ± 0.002 Å |
c | 18.8213 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 17095 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.095 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
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/4086692.html
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