<i>trans</i>-Diaqua(bipyridyl)(salicylato)manganese(III) Perchlorate Monohydrate
Tan, X.-S.; Chen, J.; Zheng, P.-J.; Tang, W.-X.; Acta Crystallographica Section C 51 (1995) 1268–1269; doi:10.1107/S0108270195000539

data_2003699
_publ_section_title
;
 <i>trans</i>-Diaqua(bipyridyl)(salicylato)manganese(III) Perchlorate
 Monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1268
_journal_page_last               1269
_journal_paper_doi               10.1107/S0108270195000539
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C17 H18 Cl Mn N2 O10'
_chemical_formula_weight         500.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                103.86(1)
_cell_angle_beta                 103.12(1)
_cell_angle_gamma                103.48(1)
_cell_formula_units_Z            2
_cell_length_a                   7.611(2)
_cell_length_b                   11.808(2)
_cell_length_c                   12.609(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294(1)
_cell_measurement_theta_max      13.6
_cell_measurement_theta_min      10.4
_cell_volume                     1020.7(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3751
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.79
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.8085
_exptl_absorpt_correction_T_max  0.9999
_exptl_absorpt_correction_T_min  0.9040
_exptl_absorpt_correction_type   'empirical (\y scans)'
_exptl_crystal_colour            'Deep green'
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_description       Prismatic
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.094
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         2695
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          2695
_reflns_number_total             3373
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1128.cif
_cod_data_source_block           mu1128a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-08-14
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_cod_original_cell_volume        1020.9(4)
_cod_original_formula_sum        'C17 H18 Cl1 Mn1 N2 O10'
_cod_database_code               2003699