Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities
Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu; Inorganic Chemistry 52 (2013) 9549–9556; doi:10.1021/ic401515q

data_4335796
_publ_section_title
;
 Synthesis, Structure, and Reactivity of Lanthanide Complexes
 Incorporating Indolyl Ligands in Novel Hapticities
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9549
_journal_page_last               9556
_journal_paper_doi               10.1021/ic401515q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C84 H100 Eu2 N8 O2'
_chemical_formula_weight         1557.64
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.5680(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.1270(11)
_cell_length_b                   15.5956(10)
_cell_length_c                   35.030(2)
_cell_measurement_temperature    293(2)
_cell_volume                     9226.6(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16255
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    1.389
_exptl_absorpt_correction_T_max  0.8622
_exptl_absorpt_correction_T_min  0.8292
_exptl_crystal_density_diffrn    1.121
_exptl_crystal_F_000             3208
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     881
_refine_ls_number_reflns         16255
_refine_ls_number_restraints     125
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0479
_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^)+(0.0300P)^2^+0.6600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0974
_reflns_number_gt                8726
_reflns_number_total             16255
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401515q_si_002_3.cif
_cod_data_source_block           4
_cod_original_cell_volume        9226.7(10)
_cod_database_code               4335796