Tuning Interchain Interactions in Two-Dimensional Networks of Mn(III) Schiff-Base Complexes and Dicarboxylic Acids by Varying the Linker.
Aono, Yoshitaka; Yoshida, Hiroki; Katoh, Keiichi; Breedlove, Brian K.; Kagesawa, Koichi; Yamashita, Masahiro; Inorganic chemistry  (2015) 150707110127002–; doi:10.1021/acs.inorgchem.5b01154

data_4343615
_publ_section_title
;
 Tuning Interchain Interactions in Two-Dimensional Networks of Mn(III)
 Schiff-Base Complexes and Dicarboxylic Acids by Varying the Linker.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              150707110127002
_journal_paper_doi               10.1021/acs.inorgchem.5b01154
_journal_year                    2015
_chemical_formula_moiety         'C37 H38 F6 Mn2 N4 O8 P '
_chemical_formula_sum            'C37 H38 F6 Mn2 N4 O8 P'
_chemical_formula_weight         921.57
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                63.277(10)
_cell_angle_beta                 73.805(12)
_cell_angle_gamma                72.054(11)
_cell_formula_units_Z            2
_cell_length_a                   12.012(2)
_cell_length_b                   13.716(3)
_cell_length_c                   14.273(2)
_cell_measurement_reflns_used    5661
_cell_measurement_temperature    108.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1970.8(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      108.1
_diffrn_detector_area_resol_mean 29.26
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15833
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             942.00
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     524
_refine_ls_number_reflns         8630
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0700P)^2^+1.3963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1404
_reflns_number_gt                6229
_reflns_number_total             8630
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic5b01154_si_002.cif
_cod_data_source_block           '___150106_74'''
_cod_original_formula_sum        'C37 H38 F6 Mn2 N4 O8 P '
_cod_database_code               4343615