Mn(ii) complexes of different nuclearity: synthesis, characterization and catecholase-like activity.
Chakraborty, Prateeti; Majumder, Ishani; Banu, Kazi Sabnam; Ghosh, Bipinbihari; Kara, Hulya; Zangrando, Ennio; Das, Debasis; Dalton transactions (Cambridge, England : 2003) 45 (2015) 742–752; doi:10.1039/c5dt03659c

data_7037313
_publ_section_title
;
 Mn(ii) complexes of different nuclearity: synthesis, characterization and
 catecholase-like activity.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              742
_journal_page_last               752
_journal_paper_doi               10.1039/c5dt03659c
_journal_volume                  45
_journal_year                    2015
_chemical_formula_moiety         'C27 H37 Mn2 N7 O5'
_chemical_formula_sum            'C27 H37 Mn2 N7 O5'
_chemical_formula_weight         649.52
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-05 deposited with the CCDC.
2015-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                78.53(2)
_cell_angle_beta                 84.51(3)
_cell_angle_gamma                70.55(2)
_cell_formula_units_Z            2
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_cell_length_b                   12.348(3)
_cell_length_c                   13.366(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1533.2(8)
_computing_cell_refinement       'Denzo (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Xpress'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.70.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'image plate dip1030'
_diffrn_measurement_method       'laser scanner'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0779
_diffrn_reflns_av_sigmaI/netI    0.1811
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_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
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_exptl_absorpt_coefficient_mu    0.870
_exptl_absorpt_correction_T_max  1.3661
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_exptl_absorpt_process_details
;
Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
Quadratic fit to sin(theta)/lambda - 18 parameters
;
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
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_refine_ls_R_factor_all          0.1500
_refine_ls_R_factor_gt           0.0731
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0770P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1953
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03659c2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7037311--7037313.cif.'
_cod_original_cell_volume        1533.3(7)
_cod_database_code               7037313