First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.
Reis, Samira G.; Briganti, Matteo; Martins, Daniel O. T. A.; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P.; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A. A.; Lahti, Paul M.; Totti, Federico; Vaz, Maria G. F.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2936–2944; doi:10.1039/c5dt04469c

data_7037767
_publ_section_title
;
 First coordination compounds based on a bis(imino nitroxide) biradical
 and 4f metal ions: synthesis, crystal structures and magnetic properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2936
_journal_page_last               2944
_journal_paper_doi               10.1039/c5dt04469c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C35 H32 Dy F18 I N4 O9'
_chemical_formula_sum            'C35 H32 Dy F18 I N4 O9'
_chemical_formula_weight         1284.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-03-10T14:49:28-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-09-15 deposited with the CCDC.
2015-12-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.137(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.2921(9)
_cell_length_b                   12.4066(8)
_cell_length_c                   26.1003(17)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.70
_cell_volume                     4889.0(5)
_computing_cell_refinement       'APEX2 v2014.5-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v4.2.2'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       '\f and \w scans'
_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  0.031
_diffrn_reflns_av_unetI/netI     0.0322
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            42345
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    2.279
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2492
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: n-heptane/chloroform'
_exptl_crystal_size_max          0.530
_exptl_crystal_size_mid          0.490
_exptl_crystal_size_min          0.334
_refine_diff_density_max         8.899
_refine_diff_density_min         -4.198
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         8618
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1352
_refine_ls_R_factor_gt           0.1244
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0759P)^2^+123.3064P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.272
_refine_ls_wR_factor_ref         0.2794
_reflns_number_gt                7619
_reflns_number_total             8653
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04469c2.cif
_cod_data_source_block           dyinn_laranja
_cod_depositor_comments
'Adding full bibliography for 7037764--7037767.cif.'
_cod_database_code               7037767