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Information card for entry 1572206
Preview
Coordinates | 1572206.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H96 Ca8 N8 O59 |
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Calculated formula | C40 H96 Ca8 N8 O59 |
Title of publication | A novel pH-sensitive method for the quantification of Ca<sup>2+</sup> ions by complexometric titration with Na<sub>3</sub>HEDTA. |
Authors of publication | Bhochiya, Rahul; Mondal, Pradip Kumar; Balkrishna, Shah Jaimin |
Journal of publication | Analytical methods : advancing methods and applications |
Year of publication | 2024 |
Journal volume | 16 |
Journal issue | 33 |
Pages of publication | 5628 - 5632 |
a | 10.1835 ± 0.0007 Å |
b | 12.9146 ± 0.0009 Å |
c | 16.303 ± 0.0011 Å |
α | 81.259 ± 0.002° |
β | 87.322 ± 0.002° |
γ | 68.522 ± 0.002° |
Cell volume | 1971.9 ± 0.2 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 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 | 0.0554 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1423 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
294397 (current) | 2024-09-06 | cif/ Updating files of 1572206 Original log message: Adding full bibliography for 1572206.cif. |
1572206.cif |
293593 | 2024-07-31 | cif/ Adding structures of 1572206 via cif-deposit CGI script. |
1572206.cif |
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