Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2 N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
Mokolokolo, Pennie P.; Brink, Alice; Visser, Hendrik G.; Zeitschrift für Kristallographie - New Crystal Structures 231 (2016) 613–615; doi:10.1515/ncrs-2015-0210

data_8106954
_publ_section_title
;
 Crystal structure of bis(\m2-2-((3-methylphenyl)imino)methylphenolato-\k2
 N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              613
_journal_page_last               615
_journal_paper_doi               10.1515/ncrs-2015-0210
_journal_volume                  231
_journal_year                    2016
_chemical_formula_moiety         'C34 H24 Mn2 N2 O8'
_chemical_formula_sum            'C34 H24 Mn2 N2 O8'
_chemical_formula_weight         698.43
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.852(15)
_cell_angle_beta                 102.513(15)
_cell_angle_gamma                101.480(15)
_cell_formula_units_Z            1
_cell_length_a                   7.737(4)
_cell_length_b                   9.483(5)
_cell_length_c                   11.309(6)
_cell_measurement_reflns_used    3574
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.27
_cell_measurement_theta_min      2.79
_cell_volume                     766.6(7)
_computing_cell_refinement       'Saint-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND 3.0c (Brandenburg & Putz, 2004)'
_computing_publication_material  'WingGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
;
Bruker X8 ApexII 4K Kappa CCD
;
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15240
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.88
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.6982
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS (Bruker, 2004)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.563
_refine_diff_density_min         -0.845
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3673
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.2786P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1297
_reflns_number_gt                2720
_reflns_number_total             3673
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            suppl_ncrs-2015-0210_suppl.cif
_cod_data_source_block           absx
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_database_code               8106954
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n