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_4073307
_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            'C28 H47 Lu N2 Si2'
_chemical_formula_weight         642.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 97.654(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.225(3)
_cell_length_b                   11.999(3)
_cell_length_c                   32.866(6)
_cell_measurement_temperature    203(1)
_cell_volume                     6341(2)
_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(1)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.866
_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  0.0914
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            62084
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.34
_diffrn_standards_decay_%        '< 2'
_exptl_absorpt_coefficient_mu    3.206
_exptl_absorpt_correction_T_max  0.7399
_exptl_absorpt_correction_T_min  0.2971
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'multifaceted block'
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.888
_refine_diff_density_min         -1.821
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         13658
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.279
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0688
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0579P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1498
_reflns_number_gt                8988
_reflns_number_total             13658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0702330si20070310_050238.cif
_cod_data_source_block           kj2101c1
_cod_original_cell_volume        6342(2)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4073307