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Information card for entry 7125570
Preview
Coordinates | 7125570.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C132 H168 Na6 O36 Sb6 |
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Calculated formula | C132 H168 Na6 O36 Sb6 |
SMILES | c12c(cccc1C)[O]1[Na]34([O]5CCCC5)([O]5CCCC5)[O]5c6c(cccc6C)[O]6[Na]7([O]8CCCC8)([O]8CCCC8)([O]2[Sb]156)[O]1c2c(c(ccc2)C)[O]2[Na]5([O]6CCCC6)([O]6CCCC6)([O]6c8c(c(ccc8)C)[O]7[Sb]126)Oc1c(cccc1C)[O]1[Na]2([O]6CCCC6)([O]6CCCC6)([O]6c7c(c(ccc7)C)[O]7[Na]8([O]9CCCC9)([O]9CCCC9)([O](c9c(c(ccc9)C)O2)[Sb]67)[O]2c6c(c(ccc6)C)[O]6[Na]7([O]9c%10c(cccc%10C)[O]3[Sb]39[O]7c7c(c(ccc7)C)[O]43)([O]3CCCC3)([O]3CCCC3)[O](c3c(c(ccc3)C)O8)[Sb]26)[O]2c3c(cccc3C)[O]5[Sb]12 |
Title of publication | A twenty-four membered mixed-metal macrocycle; synthesis and structure of cyclo-[(3-Me-1,2-C6H3O2)2SbNa(THF)2]6. |
Authors of publication | Paver, Michael A.; Joy, Jonathan S.; Hursthouse, Michael B. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2002 |
Journal issue | 18 |
Pages of publication | 2150 - 2151 |
a | 15.7605 ± 0.0012 Å |
b | 16.6786 ± 0.0013 Å |
c | 17.2709 ± 0.0016 Å |
α | 103.943 ± 0.004° |
β | 100.057 ± 0.004° |
γ | 98.356 ± 0.004° |
Cell volume | 4254.2 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1997 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.2082 |
Weighted residual factors for all reflections included in the refinement | 0.2511 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.886 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244048 (current) | 2019-11-28 | cif/ Adding structures of 7125570 via cif-deposit CGI script. |
7125570.cif |
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