Grafting of peralkylated Ln(II)Al(III) heterobimetallic complexes onto periodic mesoporous silica KIT-6.
Le Roux, Erwan; Michel, Olaf; Sommerfeldt, Hanne-Marthe; Liang, Yucang; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner; Dalton transactions (Cambridge, England : 2003) 39 (2010) 8552–8559; doi:10.1039/c002734k

data_7025678
_publ_section_title
;
 Grafting of peralkylated Ln(II)Al(III) heterobimetallic complexes onto
 periodic mesoporous silica KIT-6.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8552
_journal_page_last               8559
_journal_paper_doi               10.1039/c002734k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C36 H84 Al2 O8 Si2 Sm'
_chemical_formula_sum            'C36 H84 Al2 O8 Si2 Sm'
_chemical_formula_weight         905.53
_chemical_name_systematic
;
?
;
_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                107.012(6)
_cell_angle_beta                 91.657(6)
_cell_angle_gamma                90.249(7)
_cell_formula_units_Z            2
_cell_length_a                   11.6518(10)
_cell_length_b                   14.4834(12)
_cell_length_c                   15.4372(12)
_cell_measurement_temperature    173(2)
_cell_volume                     2489.9(4)
_computing_cell_refinement       X-AREA
_computing_data_collection       X-AREA
_computing_data_reduction        X-AREA
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       omega
_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  0.0814
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            45946
_diffrn_reflns_theta_full        29.21
_diffrn_reflns_theta_max         29.21
_diffrn_reflns_theta_min         3.20
_exptl_absorpt_coefficient_mu    1.302
_exptl_absorpt_correction_T_max  0.8690
_exptl_absorpt_correction_T_min  0.5710
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Stoe & Cie (2002). X-AREA and X-RED32. Stoe & Cie,
Darmstadt, Germany
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.454
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         13376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0470
_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^)+(0.0253P)^2^+2.1172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                10855
_reflns_number_total             13376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002734k.txt
_cod_data_source_block           Compound2b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025678