Tetranuclear Manganese Complexes with Dimer-of-Dimer and Ladder Structures from the Use of a Bis-Bipyridyl Ligand
E. Carolina Sañudo; Vincent A. Grillo; Michael J. Knapp; John C. Bollinger; John C. Huffman; David N. Hendrickson; George Christou; Inorganic Chemistry 41 (2002) 2441–2450; doi:10.1021/ic011262k

data_5000354
_publ_section_title
;
Tetranuclear Manganese Complexes with Dimer-of-Dimer and Ladder Structures
from the Use of a Bis-Bipyridyl Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2441
_journal_page_last               2450
_journal_paper_doi               10.1021/ic011262k
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         ?
_chemical_formula_sum            'C65 H72 Cl2 Mn4 N8 O22'
_chemical_formula_weight         1607.98
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.7132(12)
_cell_angle_beta                 83.7498(12)
_cell_angle_gamma                68.7370(12)
_cell_formula_units_Z            3
_cell_length_a                   14.2186(6)
_cell_length_b                   19.1159(8)
_cell_length_c                   20.9052(9)
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    113
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_cell_volume                     5107.3(4)
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37089
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         27.5719
_diffrn_reflns_theta_min         3.43435
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    0.8864
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2484
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .25
_refine_diff_density_max         1.56
_refine_diff_density_min         -1.37
_refine_ls_abs_structure_details none
_refine_ls_abs_structure_Flack   ?
_refine_ls_extinction_coef       -0.000000227(12)
_refine_ls_extinction_expression
;
Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)
;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.6685
_refine_ls_hydrogen_treatment    ?
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1266
_refine_ls_number_reflns         12290
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.059
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w^-1^=\s^2^(F)+(.07F)^2^
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0511
_reflns_number_gt                11311
_reflns_number_total             23180
_reflns_threshold_expression     F^2^>2.33\s(F^2^)
_cod_database_code               5000354