In situ generation of Ph<sub>3</sub>PO in cyanido-bridged heterometallic {Fe<sup>III</sup>Ln<sup>III</sup>}<sub>2</sub> molecular squares (Ln = Eu, Sm).
Alexandru, Maria-Gabriela; Visinescu, Diana; Braun-Cula, Beatrice; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7532–7536; doi:10.1039/c9dt01445d

data_7049857
_publ_section_title
;
 In situ generation of Ph<sub>3</sub>PO in cyanido-bridged heterometallic
 {Fe<sup>III</sup>Ln<sup>III</sup>}<sub>2</sub> molecular squares (Ln =
 Eu, Sm).
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7532
_journal_page_last               7536
_journal_paper_doi               10.1039/c9dt01445d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C76 H64 B2 Eu2 Fe2 N28 O14 P2, 2(C2 H3 N)'
_chemical_formula_sum            'C80 H70 B2 Eu2 Fe2 N30 O14 P2'
_chemical_formula_weight         2174.84
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-04-04 deposited with the CCDC.    2019-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                85.914(3)
_cell_angle_beta                 83.284(3)
_cell_angle_gamma                71.364(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3973(7)
_cell_length_b                   14.5965(11)
_cell_length_c                   17.0615(14)
_cell_measurement_reflns_used    9098
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      2.31
_cell_volume                     2200.9(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0165
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            64408
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.146
_diffrn_reflns_theta_min         2.308
_exptl_absorpt_coefficient_mu    1.846
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_description       plate
_exptl_crystal_F_000             1090
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_recrystallization_method 'slow evaporation'
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.693
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         7812
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0172P)^2^+2.9463P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0468
_refine_ls_wR_factor_ref         0.0470
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7713
_reflns_number_total             7812
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01445d2.cif
_cod_data_source_block           FeEuP
_cod_depositor_comments
'Adding full bibliography for 7049857--7049858.cif.'
_cod_database_code               7049857
_shelx_estimated_absorpt_t_min   0.617
_shelx_estimated_absorpt_t_max   0.866
_shelxl_version_number           2013-4
_shelx_res_checksum              98095