Reactivity of "Eu(OiPr)2" with Phenols: Formation of Linear Eu3, Square Pyramidal Eu5, Cubic Eu8, and Capped Cubic Eu9 Polymetallic Europium Complexes
William J. Evans; Michael A. Greci; Joseph W. Ziller; Inorganic Chemistry 39 (2000) 3213–3220; doi:10.1021/ic9909532

data_4321177
_publ_section_title
;
 Reactivity of "Eu(OiPr)2" with Phenols: Formation of Linear Eu3, Square
 Pyramidal Eu5, Cubic Eu8, and Capped Cubic Eu9 Polymetallic Europium
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3213
_journal_page_last               3220
_journal_paper_doi               10.1021/ic9909532
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C240.5 H338 Eu18 O51'
_chemical_formula_weight         6780.39
_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           SHELXTL
_cell_angle_alpha                89.0460(10)
_cell_angle_beta                 86.6180(10)
_cell_angle_gamma                80.7500(10)
_cell_formula_units_Z            2
_cell_length_a                   14.9535(7)
_cell_length_b                   28.3557(13)
_cell_length_c                   30.0169(14)
_cell_measurement_temperature    158(2)
_cell_volume                     12540.0(10)
_computing_cell_refinement       'Bruker SMART/SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      158(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0858
_diffrn_reflns_av_sigmaI/netI    0.1088
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            96813
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         0.68
_diffrn_standards_decay_%        '< 1.0'
_exptl_absorpt_coefficient_mu    4.495
_exptl_absorpt_correction_T_max  0.7438
_exptl_absorpt_correction_T_min  0.5926
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpiped
_exptl_crystal_F_000             6646
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.893
_refine_diff_density_min         -1.574
_refine_diff_density_rms         0.266
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2381
_refine_ls_number_reflns         41419
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.1540
_refine_ls_R_factor_gt           0.0941
_refine_ls_shift/su_max          0.088
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0001P)^2^+347.8476P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1370
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                26524
_reflns_number_total             41419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9909532_5.cif
_cod_data_source_block           mg46z
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C240.50 H338 Eu18 O51'
_cod_database_code               4321177