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_4311041
_publ_contact_author_address
;
   Dept. of Chemistry, NCSU
;
_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 Cl4 N2 O2 H12 '
_chemical_formula_sum            'Cl4 H12 Mn N2 O2'
_chemical_formula_weight         268.85
_chemical_name_systematic        ?
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.5250(5)
_cell_length_b                   7.5250(5)
_cell_length_c                   8.2760(17)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.50
_cell_measurement_theta_min      11.50
_cell_volume                     468.63(11)
_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    'from literature'
_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  .050
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            250
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        3.7
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.49
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.905
_exptl_crystal_description       prism
_exptl_crystal_F_000             271.95
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .10
_refine_diff_density_max         .70
_refine_diff_density_min         -.41
_refine_ls_goodness_of_fit_obs   1.47
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         120
_refine_ls_R_factor_all          .055
_refine_ls_R_factor_obs          .040
_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         .049
_refine_ls_wR_factor_obs         .049
_reflns_number_observed          120
_reflns_number_total             139
_reflns_observed_criterion       'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic049881rsi20040128_044152.cif
_cod_data_source_block           x95018
_cod_original_cell_volume        468.63(10)
_cod_original_formula_sum        'Mn Cl4 N2 O2 H12 '
_cod_database_code               4311041