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_7013726
_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 H7 N5)2 Co)2 Na2 (C36 H30 N P2) (O H) (C H4 O) (H2 O)2
;
_chemical_formula_sum            'C81 H67 Co2 N21 Na2 O4 P2'
_chemical_formula_weight         1624.4
_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
_audit_conform_dict_version      2.0.1
_audit_creation_date             2000-11-23
_audit_creation_method           from_xtal_archive_file_using_CIFIO
_audit_update_record             2003-10-10
_cell_angle_alpha                90.00000
_cell_angle_beta                 93.896(8)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   12.6715(7)
_cell_length_b                   13.8632(6)
_cell_length_c                   21.7372(15)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    200
_cell_measurement_theta_max      26.
_cell_measurement_theta_min      3.75
_cell_volume                     3809.7(4)
_computing_cell_refinement       'CELL (Stoe & Cie, 1999)'
_computing_data_collection       'EXPOSE (Stoe & Cie, 1999)'
_computing_data_reduction        'XRED (Stoe & Cie, 1999)'
_computing_molecular_graphics    xtal_gx3
_computing_publication_material  xtal_CIFIO
_computing_structure_refinement  xtal_CRYLSQ
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 6
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Stoe Ipds'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .047
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            30394
_diffrn_reflns_theta_full        26.
_diffrn_reflns_theta_max         26.
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .555
_exptl_absorpt_correction_T_max  .9450
_exptl_absorpt_correction_T_min  .8924
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'XRED; Stoe & Cie, 1999'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          .21
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         .638
_refine_diff_density_min         -.764
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.66(1)
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     524
_refine_ls_number_reflns         4949
_refine_ls_R_factor_gt           .049
_refine_ls_shift/su_max          .0009
_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         .051
_reflns_number_gt                4735
_reflns_number_total             7439
_reflns_threshold_expression     'refl observed if Fo > 3.99 \s(Fo)'
_cod_data_source_file            b313440g.txt
_cod_data_source_block           GUP3
_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_sg_symbol_H-M      'P 21/n'
_cod_database_code               7013726