[μ-2,10,15,23-Tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28-dodecaazatricyclo[22.2.1.1^11,14^]hexacosa-1(26),2,9,11(28),13,15,22,24(27)-octaene-12,25-diido-1κ^5^<i>N</i>^13^,<i>N</i>^16^,<i>N</i>^19^,<i>N</i>^22^,<i>N</i>^25^:2κ^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^26^]bis[diaquamanganese(II)] dichloride hexahydrate
Liang Shen; Yi-Jian Zhang; Guo-Ding Sheng; Acta Crystallographica Section E 62 (2006) m3098–m3100; doi:10.1107/S1600536806043790

data_2210865
_publ_section_title
;[\m-2,10,15,23-Tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28-dodecaazatricyclo[22.2.1.1^11,14^]hexacosa-1(26),2,9,11(28),13,15,22,24(27)-octaene-12,25-diido-1\k^5^<i>N</i>^13^,<i>N</i>^16^,<i>N</i>^19^,<i>N</i>^22^,<i>N</i>^25^:2\k^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^26^]bis[diaquamanganese(II)]
 dichloride hexahydrate
;
_journal_coeditor_code           AT2138
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3098
_journal_page_last               m3100
_journal_paper_doi               10.1107/S1600536806043790
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Mn2 (C20 H30 N12) (H2 O)4] Cl2 , 6H2 O'
_chemical_formula_moiety         'C20 H38 Mn2 N12 O4 2+ , 2Cl - , 6H2 O'
_chemical_formula_sum            'C20 H50 Cl2 Mn2 N12 O10'
_chemical_formula_weight         799.47
_chemical_name_systematic
;
(\m-2,10,15,23-tetramethyl-3,6,9,12,13,16,19,22,25,26,27,28-
dodecaazatricyclo[22.2.1.1^11,14^]hexacosa-1(26),2,9,11(28),13,15,22,24(27)-
octaene-12,25-diido-
1\k^5^<i>N</i>^13^,<i>N</i>^16^,<i>N</i>^19^,<i>N</i>^22^,<i>N</i>^25^:
2\k^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>N</i>^12^,<i>N</i>^26^)
bis[diaquamanganese(II)] dichloride hexahydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.801(14)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   8.710(3)
_cell_length_b                   14.720(5)
_cell_length_c                   14.301(5)
_cell_measurement_reflns_used    14252
_cell_measurement_temperature    298.0(10)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.1
_cell_volume                     1764.3(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP3 for windows (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  1996)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16973
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.931
_exptl_absorpt_correction_T_max  0.749
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             836.00
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     208
_refine_ls_number_reflns         4039
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0045Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1755
_reflns_number_gt                3219
_reflns_number_total             4039
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            at2138.cif
_cod_data_source_block           I
_cod_original_cell_volume        1764.4(10)
_cod_database_code               2210865
_cod_database_fobs_code          2210865