Theoretical Crystallography Open Database
- TCOD Home
- Accessing Data
- Add Your Data
- Documentation
Information card for entry 20002504
Preview
| Coordinates | 20002504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H144 Si16 |
|---|---|
| Calculated formula | C52 H144 Si16 |
| Title of publication | Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D) |
| Authors of publication | van de Streek, Jacco; Neumann, Marcus A. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | 1020 - 1032 |
| a | 12.454353857574512 Å |
| b | 12.454353857574512 Å |
| c | 12.454353857574512 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1931.81 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 21 3 |
| Hall symmetry space group | P 2ac 2ab 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1758 (current) | 2017-08-31 | cif/ Adding structures of 20002275, 20002276, 20002277, 20002278, 20002279, 20002280, 20002281, 20002282, 20002283, 20002284, 20002285, 20002286, 20002287, 20002288, 20002289, 20002290, 20002291, 20002292, 20002293, 20002294, 20002295, 20002296, 20002297, 20002298, 20002299, 20002300, 20002301, 20002302, 20002303, 20002304, 20002305, 20002306, 20002307, 20002308, 20002309, 20002310, 20002311, 20002312, 20002313, 20002314, 20002315, 20002316, 20002317, 20002318, 20002319, 20002320, 20002321, 20002322, 20002323, 20002324, 20002325, 20002326, 20002327, 20002328, 20002329, 20002330, 20002331, 20002332, 20002333, 20002334, 20002335, 20002336, 20002337, 20002338, 20002339, 20002340, 20002341, 20002342, 20002343, 20002344, 20002345, 20002346, 20002347, 20002348, 20002349, 20002350, 20002351, 20002352, 20002353, 20002354, 20002355, 20002356, 20002357, 20002358, 20002359, 20002360, 20002361, 20002362, 20002363, 20002364, 20002365, 20002366, 20002367, 20002368, 20002369, 20002370, 20002371, 20002372, 20002373, 20002374, 20002375, 20002376, 20002377, 20002378, 20002379, 20002380, 20002381, 20002382, 20002383, 20002384, 20002385, 20002386, 20002387, 20002388, 20002389, 20002390, 20002391, 20002392, 20002393, 20002394, 20002395, 20002396, 20002397, 20002398, 20002399, 20002400, 20002401, 20002402, 20002403, 20002404, 20002405, 20002406, 20002407, 20002408, 20002409, 20002410, 20002411, 20002412, 20002413, 20002414, 20002415, 20002416, 20002417, 20002418, 20002419, 20002420, 20002421, 20002422, 20002423, 20002424, 20002425, 20002426, 20002427, 20002428, 20002429, 20002430, 20002431, 20002432, 20002433, 20002434, 20002435, 20002436, 20002437, 20002438, 20002439, 20002440, 20002441, 20002442, 20002443, 20002444, 20002445, 20002446, 20002447, 20002448, 20002449, 20002450, 20002451, 20002452, 20002453, 20002454, 20002455, 20002456, 20002457, 20002458, 20002459, 20002460, 20002461, 20002462, 20002463, 20002464, 20002465, 20002466, 20002467, 20002468, 20002469, 20002470, 20002471, 20002472, 20002473, 20002474, 20002475, 20002476, 20002477, 20002478, 20002479, 20002480, 20002481, 20002482, 20002483, 20002484, 20002485, 20002486, 20002487, 20002488, 20002489, 20002490, 20002491, 20002492, 20002493, 20002494, 20002495, 20002496, 20002497, 20002498, 20002499, 20002500, 20002501, 20002502, 20002503, 20002504 via cif-deposit CGI script. |
20002504.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.