Reactivity of (C5Me5)Lu(CH2SiMe3)2(THF) with Pyridine Ring Systems: Synthesis and Structural Characterization of an η2-(N,C)-Pyridyl (Mono)pentamethylcyclopentadienyl Lutetium(III) Complex
Jantunen, Kimberly C.; Scott, Brian L.; Gordon, John C.; Kiplinger, Jaqueline L.; Organometallics 26 (2007) 2777–; doi:10.1021/om0702330

data_4073308
_publ_section_title
;
 Reactivity of (C5Me5)Lu(CH2SiMe3)2(THF) with Pyridine Ring
 Systems:&#x00A0; Synthesis and Structural Characterization of an
 \h2-(N,C)-Pyridyl (Mono)pentamethylcyclopentadienyl Lutetium(III) Complex
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2777
_journal_paper_doi               10.1021/om0702330
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C24 H35 Lu N2 Si'
_chemical_formula_weight         554.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 102.850(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.734(3)
_cell_length_b                   7.955(2)
_cell_length_c                   15.068(5)
_cell_measurement_temperature    203(2)
_cell_volume                     1254.4(6)
_computing_cell_refinement       'Bruker SAINT (v. 5.00, Bruker 1998)'
_computing_data_collection       'Siemens SMART (v. 4.202, Siemens 1996)'
_computing_data_reduction        'Bruker SAINT (v. 5.00, Bruker 1998)'
_computing_molecular_graphics    'Ortep-3 (Farrugia 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Bruker P4/CCD'
_diffrn_measurement_method       '\f 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  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0543
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8803
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        '< 2'
_exptl_absorpt_coefficient_mu    3.994
_exptl_absorpt_correction_T_max  0.5022
_exptl_absorpt_correction_T_min  0.3804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'multifaceted block'
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.477
_refine_diff_density_min         -2.842
_refine_diff_density_rms         0.134
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.004(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         5322
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.066
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+4.6075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0957
_refine_ls_wR_factor_ref         0.1012
_reflns_number_gt                4688
_reflns_number_total             5322
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0702330si20070310_050238.cif
_cod_data_source_block           kjLuCHpya
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4073308