Synthesis of [NH4]MnCl2(OAc) and [NH4]2MnCl4(H2O)2 by Solvothermal Dehydration and Structure/Property Correlations in a One-Dimensional Antiferromagnet
James D. Martin; Ryan F. Hess; Paul D. Boyle; Inorganic Chemistry 43 (2004) 3242–3247; doi:10.1021/ic049881r

data_4311040
_publ_contact_author_address
;
   Dept. of Chemistry, NCSU
;
_publ_contact_author_email       jdmartin@ncsu.edu
_publ_contact_author_name        'James D. Martin'
_publ_section_title
;
 Synthesis of [NH4]MnCl2(OAc) and [NH4]2MnCl4(H2O)2 by Solvothermal
 Dehydration and Structure/Property Correlations in a One-Dimensional
 Antiferromagnet
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3242
_journal_page_last               3247
_journal_paper_doi               10.1021/ic049881r
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'Mn C2 O2 Cl2 H7 N '
_chemical_formula_sum            'C2 H7 Cl2 Mn N O2'
_chemical_formula_weight         202.92
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.31(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   15.191(6)
_cell_length_b                   7.044(2)
_cell_length_c                   13.603(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      31.50
_cell_measurement_theta_min      15.00
_cell_volume                     1389.7(10)
_computing_cell_refinement       'Nonius CAD4 Argus'
_computing_data_collection       'Nonius CAD4 Argus'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD4     '
_diffrn_measurement_method       'Omega scan b/P/b        '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .039
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2440
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        .7
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.52
_exptl_absorpt_correction_T_max  .9978
_exptl_absorpt_correction_T_min  .6975
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'NRCVAX ABSORP'
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_description       prism
_exptl_crystal_F_000             812.76
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .15
_refine_diff_density_max         .62
_refine_diff_density_min         -.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.65
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1022
_refine_ls_R_factor_all          .051
_refine_ls_R_factor_obs          .041
_refine_ls_shift/esd_max         .000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0005F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .048
_refine_ls_wR_factor_obs         .047
_reflns_number_observed          1025
_reflns_number_total             1213
_reflns_observed_criterion       'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic049881rsi20040128_044122.cif
_cod_data_source_block           jdm9506
_cod_original_cell_volume        1389.7(9)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Mn C2 O2 Cl2 H7 N '
_cod_database_code               4311040