A linear supramolecular array of {[Mn(H~2~O)~2~(15-crown-5)]Br~2~}~<i>n~</i>
Reid, Howard O. N.; Kahwa, Ishenkumba A.; Mague, Joel T.; McPherson, Gary L.; Acta Crystallographica Section E 57 (2001) m3–m4; doi:10.1107/S1600536800018110

data_2200051
_publ_section_title
;
 A linear supramolecular array of
 {[Mn(H~2~O)~2~(15-crown-5)]Br~2~}~<i>n~</i>
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3
_journal_page_last               m4
_journal_paper_doi               10.1107/S1600536800018110
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Mn (C10 H20 O5) (H2 O)2] Br2'
_chemical_formula_moiety         'C10 H24 Mn1 O7 2+, 2Br 1-'
_chemical_formula_sum            'C10 H24 Br2 Mn O7'
_chemical_formula_weight         471.05
_chemical_name_systematic
;
Diaqua(1,4,7,10,14-pentaoxacyclopentadecane)manganese(II) dibromide
;
_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'
_atom_type_scat_source           International_Tables_for_Xray_Crystallography
_cell_angle_alpha                90.000(7)
_cell_angle_beta                 97.936(9)
_cell_angle_gamma                90.000(7)
_cell_formula_units_Z            4
_cell_length_a                   13.687(2)
_cell_length_b                   15.8560(10)
_cell_length_c                   7.7761(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      13
_cell_volume                     1671.4(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'PROCESS in MolEN (Fair, 1990)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'LSFM in MolEN (Fair, 1990)'
_computing_structure_solution    'SIR (Burla et al., 1989)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1780
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.595
_exptl_absorpt_correction_T_max  .196
_exptl_absorpt_correction_T_min  .084
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'via \y scan (North et al., 1968)'
_exptl_crystal_colour            'Pale Brown'
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_description       Column
_exptl_crystal_F_000             940
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .30
_refine_diff_density_max         .25
_refine_diff_density_min         -.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.279
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     92
_refine_ls_number_reflns         1362
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.285
_refine_ls_R_factor_all          .040
_refine_ls_R_factor_gt           .024
_refine_ls_shift/su_max          .004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/[\s^2^(Fo^2^) + 0.0016Fo^4^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .086
_reflns_number_gt                1362
_reflns_number_total             1644
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na6008.cif
_cod_data_source_block           I
_cod_original_cell_volume        1671.4(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H24 Br2 Mn1 O7'
_cod_database_code               2200051