Synthesis of cyclic carbonates from epoxides and carbon dioxide catalyzed by an easy-to-handle ionic iron(III) complex.
Fuchs, M A; Zevaco, T A; Ember, E; Walter, O; Held, I; Dinjus, E; Döring, M; Dalton transactions (Cambridge, England : 2003) 42 (2013) 5322–5329; doi:10.1039/c3dt32961e

data_7021220
_publ_section_title
;
 Synthesis of cyclic carbonates from epoxides and carbon dioxide catalyzed
 by an easy-to-handle ionic iron(III) complex.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5322
_journal_page_last               5329
_journal_paper_doi               10.1039/c3dt32961e
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C29 H35 Fe N9 O5'
_chemical_formula_weight         645.51
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.4530(10)
_cell_angle_beta                 97.6860(10)
_cell_angle_gamma                91.2450(10)
_cell_formula_units_Z            2
_cell_length_a                   9.6875(7)
_cell_length_b                   10.7398(8)
_cell_length_c                   15.2491(11)
_cell_measurement_reflns_used    6499
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.115
_cell_measurement_theta_min      2.567
_cell_volume                     1544.5(2)
_computing_cell_refinement       'APEX II (Bruker, 2007)'
_computing_data_collection       'APEX II (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'WINRAY (Soltek, 1997), ORTEP (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 66
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'Bruker Apex II Quazar'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23122
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    0.542
_exptl_absorpt_correction_T_max  0.9656
_exptl_absorpt_correction_T_min  0.8453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs)
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       quader
_exptl_crystal_F_000             676
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.798
_refine_diff_density_min         -0.580
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         7165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+0.8614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                5947
_reflns_number_total             7165
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt32961e.txt
_cod_data_source_block           mait3
_cod_depositor_comments          'Adding full bibliography for 7021220.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021220