Steric hindrance of phenanthroline diamides enables a hundredfold increase in Am(III) extraction efficiency.
Avagyan, Nane A.; Zonov, Roman V.; Lemport, Pavel S.; Evsiunina, Mariia V.; Matveev, Petr I.; Roznyatovsky, Vitaly A.; Averin, Alexei D.; Kalle, Paulina; Tafeenko, Victor A.; Soloveva, Svetlana A.; Nelyubina, Yulia V.; Petrov, Vladimir G.; Ustynyuk, Yuri A.; Nenajdenko, Valentine G.; Dalton transactions (Cambridge, England : 2003) 54 (2025) 5425–5437; doi:10.1039/d5dt00076a

data_7718113
_publ_section_title
;
 Steric hindrance of phenanthroline diamides enables a hundredfold
 increase in Am(III) extraction efficiency.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5425
_journal_page_last               5437
_journal_paper_doi               10.1039/d5dt00076a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C42 H50 Lu N7 O11, C2 H3 N'
_chemical_formula_sum            'C44 H53 Lu N8 O11'
_chemical_formula_weight         1044.91
_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           SHELXL-2016/6
_audit_update_record
;
2025-02-06 deposited with the CCDC.	2025-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.583(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8453(5)
_cell_length_b                   19.8533(9)
_cell_length_c                   17.3265(6)
_cell_measurement_reflns_used    7264
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      66.87
_cell_measurement_theta_min      3.41
_cell_volume                     4709.3(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics
;
Brandenburg, K. DIAMOND, Release 2.1d; 
Crystal Impact GbR: Bonn, Germany, 2000.'
;
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2016)'
_diffrn_ambient_temperature      295
_diffrn_detector                 Pilatus100K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            STOE
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_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  none
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_av_unetI/netI     0.2156
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31763
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.361
_diffrn_reflns_theta_max         67.361
_diffrn_reflns_theta_min         3.407
_diffrn_source                   'Cu GeniX 3D'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    4.563
_exptl_absorpt_correction_T_max  0.608
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_description       block
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .11
_refine_diff_density_max         1.076
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.699
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     591
_refine_ls_number_reflns         8255
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.700
_refine_ls_R_factor_all          0.1659
_refine_ls_R_factor_gt           0.0483
_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^)+(0.0299P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.1169
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3064
_reflns_number_total             8255
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00076a2.cif
_cod_data_source_block           ana370
_cod_depositor_comments
'Adding full bibliography for 7718113--7718120.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7718113
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              85579
_shelx_hkl_checksum              10157