Red-light activated photoCORMs of Mn(i) species bearing electron deficient 2,2'-azopyridines.
Kottelat, E.; Ruggi, A.; Zobi, F.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6920–6927; doi:10.1039/c6dt00858e

data_7038687
_publ_section_title
;
 Red-light activated photoCORMs of Mn(i) species bearing electron
 deficient 2,2'-azopyridines.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6920
_journal_page_last               6927
_journal_paper_doi               10.1039/c6dt00858e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C10 H6 Br2 N4'
_chemical_formula_sum            'C10 H6 Br2 N4'
_chemical_formula_weight         342.01
_chemical_name_systematic        (E)-1,2-bis(4-bromopyridin-2-yl)diazene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc1kk9s6
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_audit_update_record
;
2016-01-11 deposited with the CCDC.
2016-03-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   14.9310(14)
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_cell_measurement_temperature    300(2)
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_cell_measurement_theta_min      2.20
_cell_volume                     545.69(9)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      300(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1061
_diffrn_reflns_av_unetI/netI     0.0480
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6662
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.985
_diffrn_reflns_theta_max         24.985
_diffrn_reflns_theta_min         2.595
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    7.402
_exptl_absorpt_correction_T_max  0.8404
_exptl_absorpt_correction_T_min  0.1446
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Stoe & Cie (2002). X-SHAPE. Stoe & Cie, Darmstadt, Germany
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_description       needle
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_exptl_crystal_size_max          0.420
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_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0200P)^2^+0.1933P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0732
_reflns_Friedel_coverage         0.000
_reflns_number_gt                803
_reflns_number_total             952
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00858e2.cif
_cod_data_source_block           EK210
_cod_depositor_comments
'Adding full bibliography for 7038683--7038687.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7038687
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              3678