Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.
Fatila, Elisabeth M.; Maahs, Adam C.; Mills, Michelle B.; Rouzières, Mathieu; Soldatov, Dmitriy V.; Clérac, Rodolphe; Preuss, Kathryn E.; Chemical communications (Cambridge, England) 52 (2016) 5414–5417; doi:10.1039/c6cc01548d

data_7124602
_publ_section_title
;
 Ferromagnetic ordering of -[Sm(iii)-radical]n- coordination polymers.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5414
_journal_page_last               5417
_journal_paper_doi               10.1039/c6cc01548d
_journal_volume                  52
_journal_year                    2016
_chemical_formula_moiety         'C23 H7 F18 N3 O7 S2 Sm'
_chemical_formula_sum            'C23 H7 F18 N3 O7 S2 Sm'
_chemical_formula_weight         993.79
_chemical_name_common            '[Sm(hfac)3(boaDTDA)]n'
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-07-20 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.1162(2)
_cell_length_b                   15.14532(19)
_cell_length_c                   21.5437(2)
_cell_measurement_reflns_used    35438
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      28.5500
_cell_measurement_theta_min      3.0320
_cell_volume                     6563.64(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 10.3693
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0603
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            135461
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.699
_diffrn_reflns_theta_min         2.608
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.065
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.34427
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_description       prism
_exptl_crystal_F_000             3824
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method Sublimation
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.573
_refine_diff_density_min         -0.786
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         8465
_refine_ls_number_restraints     87
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_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0409
_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^)+(0.0525P)^2^+8.8351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1222
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5946
_reflns_number_total             8465
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6cc01548d2.cif
_cod_data_source_block           shelx
_cod_database_code               7124602
_shelx_estimated_absorpt_t_min   0.326
_shelx_estimated_absorpt_t_max   0.683
_shelxl_version_number           2013-4
_shelx_res_checksum              97265