Comparison of different strategies for modelling hydrogen atoms in charge density analyses
Köhler, Christian; Lübben, Jens; Krause, Lennard; Hoffmann, Christina; Herbst-Irmer, Regine; Stalke, Dietmar; Acta Crystallographica Section B 75 (2019) –; doi:10.1107/S2052520619004517

data_2108405
_publ_section_title
;
 Comparison of different strategies for modelling hydrogen atoms in charge
 density analyses
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520619004517
_journal_volume                  75
_journal_year                    2019
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_cell_angle_beta                 91.23(2)
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_cell_length_b                   12.326(2)
_cell_length_c                   17.357(3)
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_cell_measurement_temperature    100(2)
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_computing_molecular_graphics    'Volkov et al, (2006)'
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_computing_structure_refinement  'Volkov et al, (2006)'
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_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0117
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_diffrn_reflns_limit_h_min       -23
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
        calc w2 = 1/[s^2^(Fo^2^)]
;
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