Co6(μ3-OH)6 cluster based coordination polymer as an effective heterogeneous catalyst for aerobic epoxidation of alkenes.
Gao, Junkuo; Bai, Linlu; Zhang, Qian; Li, Yongxin; Rakesh, Ganguly; Lee, Jong-Min; Yang, Yanhui; Zhang, Qichun; Dalton transactions (Cambridge, England : 2003) 43 (2014) 2559–2565; doi:10.1039/c3dt52562g

data_7028762
_publ_section_title
;
 Co6(\m3-OH)6 cluster based coordination polymer as an effective
 heterogeneous catalyst for aerobic epoxidation of alkenes.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2559
_journal_page_last               2565
_journal_paper_doi               10.1039/c3dt52562g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C1.17 H2.39 Co O3'
_chemical_formula_weight         123.35
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   11.77382(13)
_cell_length_b                   11.77382(13)
_cell_length_c                   11.6202(2)
_cell_measurement_reflns_used    9949
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      31.0482
_cell_measurement_theta_min      2.6576
_cell_volume                     1395.02(3)
_computing_cell_refinement       'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            21784
_diffrn_reflns_theta_full        31.05
_diffrn_reflns_theta_max         31.05
_diffrn_reflns_theta_min         3.46
_exptl_absorpt_coefficient_mu    5.319
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.70
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1087
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     83
_refine_ls_number_reflns         976
_refine_ls_number_restraints     84
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0164
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0250P)^2^+0.8145P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0391
_refine_ls_wR_factor_ref         0.0408
_reflns_number_gt                877
_reflns_number_total             976
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3dt52562g.txt
_cod_data_source_block           I
_cod_original_cell_volume        1395.02(4)
_cod_database_code               7028762
_shelx_res_checksum              40658
_shelx_hkl_checksum              7381