Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and their application in CO<sub>2</sub> transformation into cyclic carbonates.
Rios Yepes, Yersica; Martínez, Javier; Rangel Sánchez, Hiram; Quintero, Celso; Ortega-Alfaro, M Carmen; López-Cortés, José G; Daniliuc, Constantin G.; Antiñolo, Antonio; Ramos, Alberto; Rojas, René S; Dalton transactions (Cambridge, England : 2003) 49 (2020) 1124–1134; doi:10.1039/c9dt03808f

data_7702982
_publ_section_title
;
 Aluminum complexes with new non-symmetric ferrocenyl amidine ligands and
 their application in CO<sub>2</sub> transformation into cyclic
 carbonates.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1124
_journal_page_last               1134
_journal_paper_doi               10.1039/c9dt03808f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C49 H61 Al Fe2 N4'
_chemical_formula_weight         844.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           'APEX3 v2016.1-0'
_audit_update_record
;
2019-06-15 deposited with the CCDC.	2019-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.0800(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.7132(4)
_cell_length_b                   15.7957(3)
_cell_length_c                   28.5412(7)
_cell_measurement_reflns_used    18704
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      3.57
_cell_volume                     8887.3(3)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection
;

Collect (Nonius B.V., 1998)
;
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173.(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'rotating anode Nonius FR591'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'Montel mirror'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1390
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            119095
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.60
_diffrn_source                   'Mo rotating anode'
_diffrn_source_type              'Mo rotating anode'
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.90
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.184
_exptl_crystal_size_min          0.148
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.454
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1010
_refine_ls_number_reflns         18070
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1012
_refine_ls_R_factor_gt           0.0659
_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^)+(0.0635P)^2^+14.2440P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1458
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                13041
_reflns_number_total             18070
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt03808f2.cif
_cod_data_source_block           dan9083
_cod_depositor_comments
'Adding full bibliography for 7702981--7702983.cif.'
_cod_database_code               7702982
_shelx_res_checksum              97605