Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals
Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun; Chemical Communications (Cambridge, United Kingdom) 48 (2012) 12020–12022; doi:10.1039/c2cc36045d

data_7108650
_publ_section_title
;
 Rare-earth metal complexes having an unusual indolyl-1,2-dianion through
 C--H activation with a novel \h1:(\m2--\h1:\h1) bonding with metals
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   98
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              12020
_journal_page_last               12022
_journal_paper_doi               10.1039/c2cc36045d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C49 H70 Cl2 Li N7 O Si2 Y2'
_chemical_formula_weight         1084.96
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.1590(10)
_cell_angle_beta                 64.9450(10)
_cell_angle_gamma                78.9000(10)
_cell_formula_units_Z            2
_cell_length_a                   15.0187(13)
_cell_length_b                   16.0047(14)
_cell_length_c                   16.6926(14)
_cell_measurement_reflns_used    5921
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.84
_cell_measurement_theta_min      2.41
_cell_volume                     3565.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0543
_diffrn_reflns_av_sigmaI/netI    0.1229
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31129
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    1.759
_exptl_absorpt_correction_T_max  0.7542
_exptl_absorpt_correction_T_min  0.6676
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.010
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         1.855
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         16071
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1914
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1983P)^2^+0.6645P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2847
_refine_ls_wR_factor_ref         0.3462
_reflns_number_gt                7134
_reflns_number_total             16071
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc36045d.txt
_cod_data_source_block           101217a_0m
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7108650