A single tripodal ligand stabilizing three different oxidation states (II, III, and IV) of manganese.
Sunatsuki, Yukinari; Kishima, Yukana; Kobayashi, Tamami; Yamaguchi, Tomoka; Suzuki, Takayoshi; Kojima, Masaaki; Krzystek, J.; Sundberg, Markku R.; Chemical communications (Cambridge, England) 47 (2011) 9149–9151; doi:10.1039/c1cc12418h

data_7112712
_publ_section_title
;
 A single tripodal ligand stabilizing three different oxidation states
 (II, III, and IV) of manganese.
;
_journal_issue                   32
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9149
_journal_page_last               9151
_journal_paper_doi               10.1039/c1cc12418h
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C29 H30 Mn N3 O6, 2(C H4 O), H4 N '
_chemical_formula_sum            'C31 H42 Mn N4 O8'
_chemical_formula_weight         653.63
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   10.8867(10)
_cell_length_b                   25.958(2)
_cell_length_c                   22.332(2)
_cell_measurement_reflns_used    57244
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      3.0
_cell_volume                     6311.0(9)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      193.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            90736
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.474
_exptl_absorpt_correction_T_max  0.867
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2760.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.75
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     398
_refine_ls_number_reflns         7231
_refine_ls_R_factor_gt           0.0569
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0935P)^2^+7.8323P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1756
_reflns_number_gt                5976
_reflns_number_total             7231
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c1cc12418h.txt
_cod_data_source_block           '_100110k'
_cod_original_cell_volume        6310.8(9)
_cod_original_formula_sum        'C31 H42 Mn N4 O8 '
_cod_database_code               7112712