Dual Heterogeneous Catalyst Pd-Au@Mn(II)-MOF for One-Pot Tandem Synthesis of Imines from Alcohols and Amines.
Chen, Gong-Jun; Ma, Hui-Chao; Xin, Wen-Ling; Li, Xiao-Bo; Jin, Fa-Zheng; Wang, Jing-Si; Liu, Ming-Yang; Dong, Yu-Bin; Inorganic chemistry 56 (2017) 654–660; doi:10.1021/acs.inorgchem.6b02592

data_4345119
_publ_section_title
;
 Dual Heterogeneous Catalyst Pd-Au@Mn(II)-MOF for One-Pot Tandem Synthesis
 of Imines from Alcohols and Amines.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              654
_journal_page_last               660
_journal_paper_doi               10.1021/acs.inorgchem.6b02592
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C30 H18 F6 Mn N2 O4'
_chemical_formula_weight         639.40
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   22.2003(15)
_cell_length_b                   22.2003(15)
_cell_length_c                   7.7298(4)
_cell_measurement_reflns_used    1654
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      61.3090
_cell_measurement_theta_min      4.607
_cell_volume                     3299.3(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_unetI/netI     0.0701
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -3
_diffrn_reflns_number            7682
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.107
_diffrn_reflns_theta_min         3.982
_exptl_absorpt_coefficient_mu    2.897
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.965
_exptl_crystal_description       block
_exptl_crystal_F_000             969
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.338
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         4275
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.1208
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0969P)^2^+1.1146P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2000
_refine_ls_wR_factor_ref         0.2333
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2398
_reflns_number_total             4173
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02592_si_002.cif
_cod_data_source_block           exp_1328_sq
_cod_original_cell_volume        3299.3(5)
_cod_database_code               4345119
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.547
_shelx_estimated_absorpt_t_max   0.746
_shelx_res_checksum              23178
_shelx_hkl_checksum              77442
_shelx_fab_checksum              65420