μ-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)} perchlorate
Kani, Yoshiyuki; Ohba, Shigeru; Nishida, Yuzo; Acta Crystallographica Section C 56 (2000) e194–e194; doi:10.1107/S0108270100005552

data_2010956
_publ_section_title
;\m-Acetato-<i>O</i>:<i>O</i>'-bis{[bis(salicylidene)ethylenediaminato]manganese(III)}
 perchlorate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e194
_journal_page_last               e194
_journal_paper_doi               10.1107/S0108270100005552
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Mn2 (C16 H14 N2 O2)2 (C2 H3 O2)] Cl O4'
_chemical_formula_sum            'C34 H31 Cl Mn2 N4 O10'
_chemical_formula_weight         800.97
_chemical_name_systematic
;
\m-acetato-O:O'-bis({2,2'[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato}-
manganese(III)) perchlorate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.52(3)
_cell_angle_beta                 94.31(3)
_cell_angle_gamma                90.79(3)
_cell_formula_units_Z            2
_cell_length_a                   11.990(4)
_cell_length_b                   12.988(4)
_cell_length_c                   11.296(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1680.6(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'DIRDIF94 (Beurskens et al., 1994)'
_diffrn_measured_fraction_theta_full 1.0014
_diffrn_measured_fraction_theta_max 1.0014
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .011
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8092
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .896
_exptl_absorpt_correction_T_max  .789
_exptl_absorpt_correction_T_min  .670
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .3
_refine_diff_density_max         .53
_refine_diff_density_min         -.66
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05(Fo^2^ + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .106
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0274.cif
_cod_data_source_block           I
_cod_original_cell_volume        1680.5(9)
_cod_database_code               2010956