Volatile Donor-Functionalized Alkoxy Derivatives of Lutetium and Their Structural Characterization1
Reiner Anwander; Florian C. Munck; Thomas Priermeier; Wolfgang Scherer; Oliver Runte; Wolfgang A. Herrmann; Inorganic Chemistry 36 (1997) 3545–3552; doi:10.1021/ic9700157

data_4323512
_publ_contact_author
;                                                                               
       Dr. Reiner Anwander                                                      
       Institute of Chemical Technology I                                       
       University of Stuttgart                                                  
       Pfaffenwaldring 55                                                       
       D-70569 Stuttgart                                                        
;
_publ_contact_author_email       ' reiner.anwander@po.uni-stuttgart.de '
_publ_contact_author_fax         ' 0711 685 4065 '
_publ_contact_author_phone       ' 0711 685 4148 '
_publ_section_title
;
 Volatile Donor-Functionalized Alkoxy Derivatives of Lutetium and Their
 Structural Characterization1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3545
_journal_page_last               3552
_journal_paper_doi               10.1021/ic9700157
_journal_volume                  36
_journal_year                    1997
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C30 H66 Lu2 O12 '
_chemical_formula_sum            'C30 H66 Lu2 O12'
_chemical_formula_weight         968.78
_chemical_name_systematic
;
[Lu(OCMe2CH2OMe)3]2
Hexakis(1-methoxy-2-methyl-propan-2-olato)dilutetium
;
_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_date             96-02-19
_audit_creation_method           CRYSTALS
_audit_update_record
;                                                                               
  96-08-09         Updated by Author Thomas Priermeier                          
  96-09-25         Updated by Author Thomas Priermeier                          
;
_cell_angle_alpha                90.000
_cell_angle_beta                 93.11(4)
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   13.510(1)
_cell_length_b                   15.130(1)
_cell_length_c                   38.953(4)
_cell_measurement_reflns_used    1942
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      1.51
_cell_volume                     7950.5(12)
_computing_cell_refinement       'IPDS Operating system (STOE)'
_computing_data_collection       'IPDS Operating system (STOE)'
_computing_data_reduction
;
'IPDS Operating system (STOE)'
'CRYSTALS (Watkin, Carruthers & Betteridge, 1985) '
;
_computing_molecular_graphics    'PLATON (Spek, 1995) '
_computing_publication_material  'CRYSTALS '
_computing_structure_refinement  'CRYSTALS '
_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
_diffrn_ambient_temperature      213.2
_diffrn_measurement_device       'IPDS (STOE)'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf-Nonius Mo rotating anode FR591'
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.091
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            130852
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         0.95
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.95
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Program DECAY, IPDS Operating System (STOE 1996)
;
_exptl_crystal_colour            'colourless '
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_description       'flat irregular fragment'
_exptl_crystal_F_000             3872.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.91
_refine_diff_density_min         -1.35
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   1.0196
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     793
_refine_ls_number_reflns         11747
_refine_ls_R_factor_obs          0.0354
_refine_ls_shift/esd_max         0.00032
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0360
_reflns_limit_h_max              16
_reflns_limit_h_min              -16
_reflns_limit_k_max              17
_reflns_limit_k_min              0
_reflns_limit_l_max              46
_reflns_limit_l_min              0
_reflns_number_observed          13860
_reflns_number_total             13860
_reflns_observed_criterion       >2.00sigma(I)
_cod_data_source_file            ic9700157_2.cif
_cod_data_source_block           global
_cod_original_cell_volume        7950.0
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_original_formula_sum        ' C30 H66 Lu2 O12 '
_cod_database_code               4323512