Photochemical Formation of Ferrimagnetic Chains from a Pair of Polymeric Complexes Made of Octahedral Bis(hexafluoroacetylacetonato)manganese(II) with Diazodi(4-pyridyl)methane in the Cis and Trans Configurations as Repeating Units
Satoru Karasawa; Yoko Sano; Takeyuki Akita; Noboru Koga; Tetsuji Itoh; Hiizu Iwamura; Pierre Rabu; Marc Drillon; Journal of the American Chemical Society 120 (1998) 10080–10087; doi:10.1021/ja981293n

data_4116843
_publ_section_title
;
 Photochemical Formation of Ferrimagnetic Chains from a Pair of Polymeric
 Complexes Made of Octahedral Bis(hexafluoroacetylacetonato)manganese(II)
 with Diazodi(4-pyridyl)methane in the Cis and Trans Configurations as
 Repeating Units
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10080
_journal_page_last               10087
_journal_paper_doi               10.1021/ja981293n
_journal_volume                  120
_journal_year                    1998
_chemical_formula_moiety         'C21 H10 F12 N4 Mn O4 '
_chemical_formula_sum            'C21 H10 F12 Mn N4 O4'
_chemical_formula_weight         665.25
_chemical_name_common            cis-complex
_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'
_audit_creation_date             'Sat Apr 18 10:46:10 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   21.792(2)
_cell_length_b                   18.511(5)
_cell_length_c                   13.358(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     5389(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    MULTAN88
_diffrn_ambient_temperature      173.2
_diffrn_measurement_device       'Rigaku RAXISIV'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_av_sigmaI/netI    0.077
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.607
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_description       cubic
_exptl_crystal_F_000             2632.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.74
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.154
_refine_ls_goodness_of_fit_obs   2.559
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     380
_refine_ls_number_reflns         2276
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1259
_refine_ls_R_factor_obs          0.0616
_refine_ls_shift/esd_max         0.2970
_refine_ls_shift/esd_mean        0.0500
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0716
_refine_ls_wR_factor_obs         0.0615
_reflns_number_observed          2276
_reflns_number_total             4146
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ja981293n.cif
_cod_data_source_block           complex-a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00010|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5388(3)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C21 H10 F12 N4 Mn O4 '
_cod_database_code               4116843