Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals
Zeckert, Kornelia; Organometallics 32 (2013) 1387–; doi:10.1021/om301032x

data_4080254
_publ_section_title
;
 Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for
 Lanthanide Metals
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1387
_journal_paper_doi               10.1021/om301032x
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C28 H33 N3 Sn Yb'
_chemical_formula_sum            'C28 H33 N3 Sn Yb'
_chemical_formula_weight         703.3
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2010-06-24T13:55:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.3800(8)
_cell_length_b                   14.6367(6)
_cell_length_c                   8.4907(4)
_cell_measurement_reflns_used    8828
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.3052
_cell_measurement_theta_min      2.9269
_cell_volume                     2657.02(19)
_computing_cell_refinement
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.58 (release 29-01-2010 CrysAlis171 .NET)
        (compiled Jan 29 2010,16:49:25)
;
_computing_data_collection
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.58 (release 29-01-2010 CrysAlis171 .NET)
        (compiled Jan 29 2010,16:49:25)
;
_computing_data_reduction
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.58 (release 29-01-2010 CrysAlis171 .NET)
        (compiled Jan 29 2010,16:49:25)
;
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution
;
     SHELXS-97
     Program for Crystal Structure Analysis (Release 97-2)
     G. M. Sheldrick, Institut f\"ur Anorganische Chemie der Universit\"at,
     Tammanstrasse 4, D-3400 G\"ottingen, Germany, 1998.
;
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0146207
_diffrn_orient_matrix_UB_12      -0.0708217
_diffrn_orient_matrix_UB_13      0.0142091
_diffrn_orient_matrix_UB_21      -0.0162125
_diffrn_orient_matrix_UB_22      0.0038761
_diffrn_orient_matrix_UB_23      0.0421703
_diffrn_orient_matrix_UB_31      -0.0249459
_diffrn_orient_matrix_UB_32      -0.0443642
_diffrn_orient_matrix_UB_33      -0.0191078
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0493
_diffrn_reflns_av_unetI/netI     0.0499
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            27124
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    4.458
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.73756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.58 (release 29-01-2010 CrysAlis171 .NET)
        (compiled Jan 29 2010,16:49:25)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'green brown'
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'big plates'
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.692
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.873
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     173
_refine_ls_number_reflns         4184
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.873
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0243
_refine_ls_shift/su_max          0.099
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0211P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0443
_refine_ls_wR_factor_ref         0.0463
_reflns_number_gt                3047
_reflns_number_total             4184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om301032x_si_001.cif
_cod_data_source_block           x1066
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4080254