Toward generic models of hemoproteins.
Lo, Mamadou; Mahajan, Dinesh; Wytko, Jennifer A.; Boudon, Corinne; Weiss, Jean; Organic letters 11 (2009) 2487–2490; doi:10.1021/ol900774d

data_1503953
_publ_section_title
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 Toward generic models of hemoproteins.
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_journal_issue                   12
_journal_name_full               'Organic letters'
_journal_page_first              2487
_journal_page_last               2490
_journal_paper_doi               10.1021/ol900774d
_journal_volume                  11
_journal_year                    2009
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_cell_angle_beta                 86.0080(10)
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_cell_formula_units_Z            2
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_cell_length_b                   13.0016(3)
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_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
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_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
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_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            38065
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.619
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_exptl_crystal_colour            'dark purple'
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_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0953P)^2^+8.8920P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2002
_refine_ls_wR_factor_ref         0.2240
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
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_cod_original_cell_volume        3622.39(16)
_cod_database_code               1503953