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Information card for entry 2232292
Preview
Coordinates | 2232292.cif |
---|---|
Structure factors | 2232292.hkl |
Original IUCr paper | HTML |
Chemical name | [(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl- 1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate) |
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Formula | C40 H48 Cl2 Cu N4 O8 |
Calculated formula | C40 H48 Cl2 Cu N4 O8 |
Title of publication | [(4<i>E</i>,11<i>E</i>)-5,7,12,14-Tetrabenzyl-7,14-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene]copper(II) bis(perchlorate) |
Authors of publication | Roy, Tapashi G.; Hazari, Saroj K. S.; Nath, Babul C.; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1581 - m1582 |
a | 10.117 ± 0.0003 Å |
b | 16.6017 ± 0.0004 Å |
c | 11.991 ± 0.0003 Å |
α | 90° |
β | 108.818 ± 0.003° |
γ | 90° |
Cell volume | 1906.35 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0695 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1392 |
Weighted residual factors for all reflections included in the refinement | 0.1453 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181244 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/22. |
2232292.cif 2232292.hkl |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232292.cif 2232292.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232292.cif 2232292.hkl |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232292.cif 2232292.hkl |
31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232292.cif 2232292.hkl |
30947 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232292 via cif-deposit CGI script. |
2232292.cif |
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Users of the data should acknowledge the original authors of the
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