Understanding the single-crystal-to-single-crystal solid-state phase transition of dl-methionine
Smets, M. M. H.; Brugman, S. J. T.; van Eck, E. R. H.; Tinnemans, P.; Meekes, H.; Cuppen, H. M.; CrystEngComm 18 (2016) 9363–; doi:10.1039/C6CE02079H

data_7227124
_publ_section_title
;
 Understanding the single-crystal-to-single-crystal solid-state phase
 transition of dl-methionine
;
_journal_issue                   48
_journal_name_full               CrystEngComm
_journal_page_first              9363
_journal_paper_doi               10.1039/C6CE02079H
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C5 H11 N O2 S'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_gamma                90
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_diffrn_ambient_temperature      338(2)
_diffrn_detector_area_resol_mean 10.4
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_diffrn_measurement_device       'Bruker D8 Quest Apex3'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_detector       Photon100
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_max         23.843
_diffrn_reflns_theta_min         2.459
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_max  0.7450
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_exptl_crystal_colour            colourless
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_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0773
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1599P)^2^+0.4149P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                1061
_reflns_number_total             1207
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ce02079h1.cif
_cod_data_source_block           p1619d
_cod_depositor_comments
'Adding full bibliography for 7227123--7227124.cif.'
_cod_original_cell_volume        783.94(18)
_cod_database_code               7227124
_shelx_shelxl_version_number     2016/6
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_shelx_res_checksum              39650
_shelx_hkl_checksum              18224