Redox state switching of transition metals by deprotonation of the tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.
Stupka, Gilles; Gremaud, Ludovic; Bernardinelli, Gérald; Williams, Alan F.; Dalton transactions (Cambridge, England : 2003)  (2004) 407–412; doi:10.1039/b313440g

data_7013724
_publ_section_title
;
 Redox state switching of transition metals by deprotonation of the
 tridentate ligand 2,6-bis(imidazol-2-yl)pyridine.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              407
_journal_page_last               412
_journal_paper_doi               10.1039/b313440g
_journal_year                    2004
_chemical_formula_moiety         '(C11 H9 N5)2 Mn (C F3 S O3)2 (C4 H10 O)'
_chemical_formula_sum            'C28 H28 F6 Mn N10 O7 S2'
_chemical_formula_weight         849.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_conform_dict_name         cif_core.dic
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_audit_creation_date             2000-01-13
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-10-10
_cell_angle_alpha                90.00000
_cell_angle_beta                 105.468(5)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.090(2)
_cell_length_b                   14.3260(10)
_cell_length_c                   19.8080(10)
_cell_measurement_reflns_used    36
_cell_measurement_temperature    200
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      21.6
_cell_volume                     3580.0(6)
_computing_cell_refinement       xtal_latcon
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_computing_molecular_graphics    xtal_ORTEP
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_computing_structure_solution    SIR-97
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  Stoe_Stadi-4_4-circle_diffractometer
_diffrn_measurement_method       \w-2\q_scans
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  .092
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_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4749
_diffrn_reflns_theta_full        54.15
_diffrn_reflns_theta_max         54.15
_diffrn_standards_decay_%        0.
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.907
_exptl_absorpt_correction_T_max  .4020
_exptl_absorpt_correction_T_min  .2951
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'xtal_lsabs (Flack & al. 1992)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .24
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_refine_diff_density_max         .544
_refine_diff_density_min         -.66
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     \w=1/[\s^2^(Fo)+0.0002(Fo^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .058
_reflns_number_gt                3281
_reflns_number_total             4359
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            b313440g.txt
_cod_data_source_block           STUP
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3580.0(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7013724