A first oxalamidino complex of samarium via reduction-coupling of carbodiimine: synthesis and molecular structure of [eta4-C2(NR)4][(MeC5H4)2Sm(HMPA)]2.2THF (R = Pr i, Cy).
Deng, Mingyu; Yao, Yingmin; Zhang, Yong; Shen, Qi; Chemical communications (Cambridge, England)  (2004) 2742–2743; doi:10.1039/b410599k

data_7113389
_publ_section_title
;
 A first oxalamidino complex of samarium via reduction-coupling of
 carbodiimine: synthesis and molecular structure of
 [eta4-C2(NR)4][(MeC5H4)2Sm(HMPA)]2.2THF (R = Pr i, Cy).
;
_journal_issue                   23
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2742
_journal_page_last               2743
_journal_paper_doi               10.1039/b410599k
_journal_year                    2004
_chemical_formula_moiety         'C62 H108 N10 O2 P2 Sm2, 2(C4 H8 O)'
_chemical_formula_sum            'C70 H124 N10 O4 P2 Sm2'
_chemical_formula_weight         1532.43
_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                 114.29(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.679(5)
_cell_length_b                   15.220(2)
_cell_length_c                   21.545(4)
_cell_measurement_reflns_used    10568
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     7974(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      193(2)
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_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  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31467
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.546
_exptl_absorpt_correction_T_max  0.7577
_exptl_absorpt_correction_T_min  0.5002
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3200
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.168
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         8903
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.226
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0627P)^2^+60.4763P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.1573
_reflns_number_gt                8006
_reflns_number_total             8903
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b410599k.txt
_cod_data_source_block           shelxl
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'c 2/c'
_cod_database_code               7113389