Synthesis and molecular structure of piperazidine-bridged bis(phenolate) samarium(ii) complex and its reactivity to carbodiimides.
Du, Zhu; Zhang, Yong; Yao, Yingming; Shen, Qi; Dalton transactions (Cambridge, England : 2003) 40 (2011) 7639–7644; doi:10.1039/c1dt10081e

data_7016041
_publ_section_title
;
 Synthesis and molecular structure of piperazidine-bridged
 bis(phenolate) samarium(ii) complex and its reactivity to
 carbodiimides.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7639
_journal_page_last               7644
_journal_paper_doi               10.1039/c1dt10081e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C160 H304 N32 O16 P8 Sm4, 8(C4 H8 O)'
_chemical_formula_sum            'C192 H368 N32 O24 P8 Sm4'
_chemical_formula_weight         4358.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.620(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.120(2)
_cell_length_b                   18.3460(11)
_cell_length_c                   41.000(3)
_cell_measurement_reflns_used    46648
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     23160(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0920
_diffrn_reflns_av_sigmaI/netI    0.1251
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            58744
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    1.118
_exptl_absorpt_correction_T_max  0.898
_exptl_absorpt_correction_T_min  0.631
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             9216
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.980
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1132
_refine_ls_number_reflns         21432
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.1525
_refine_ls_R_factor_gt           0.0982
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0493P)^2^+121.5860P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1745
_refine_ls_wR_factor_ref         0.2048
_reflns_number_gt                13964
_reflns_number_total             21432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10081e.txt
_cod_data_source_block           complexl
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7016041