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Information card for entry 7230827
Preview
Coordinates | 7230827.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H16 Cl2 Co F10 I2 N4 |
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Calculated formula | C36 H16 Cl2 Co F10 I2 N4 |
Title of publication | Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif |
Authors of publication | Lisac, Katarina; Cinčić, Dominik |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 39 |
Pages of publication | 5955 |
a | 7.9892 ± 0.0004 Å |
b | 13.5176 ± 0.0007 Å |
c | 33.897 ± 0.002 Å |
α | 90° |
β | 92.075 ± 0.005° |
γ | 90° |
Cell volume | 3658.3 ± 0.3 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0563 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0534 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
228977 (current) | 2019-11-17 | cif/ Updating files of 7230823, 7230824, 7230825, 7230826, 7230827, 7230828, 7230829, 7230830, 7230831, 7230832, 7230833, 7230834 Original log message: Adding full bibliography for 7230823--7230834.cif. |
7230827.cif |
208153 | 2018-06-06 | cif/ Adding structures of 7230823, 7230824, 7230825, 7230826, 7230827, 7230828, 7230829, 7230830, 7230831, 7230832, 7230833, 7230834 via cif-deposit CGI script. |
7230827.cif |
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Users of the data should acknowledge the original authors of the
structural data.