Bis[1,4,8,11,15,18,22,25-octa(butyloxyl)phthalocyaninato] rare earth double-decker complexes: synthesis, spectroscopy, and molecular structure.
Gao, Yingning; Li, Renjie; Dong, Shuai; Bian, Yongzhong; Jiang, Jianzhuang; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1321–1327; doi:10.1039/b911178f

data_7024109
_publ_section_title
;
 Bis[1,4,8,11,15,18,22,25-octa(butyloxyl)phthalocyaninato] rare earth
 double-decker complexes: synthesis, spectroscopy, and molecular
 structure.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1321
_journal_page_last               1327
_journal_paper_doi               10.1039/b911178f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C128 H160 Eu N16 O16'
_chemical_formula_sum            'C128 H160 Eu N16 O16'
_chemical_formula_weight         2330.68
_chemical_name_common
;
'homoleptic bis(1,4,8,11,15,18,22,25-
octa(butyloxy)phthalocyaninato) europium do
;
_chemical_name_systematic
;
?
;
_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                 105.039(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.8556(8)
_cell_length_b                   33.6405(14)
_cell_length_c                   22.3824(9)
_cell_measurement_reflns_used    7849
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      17.319
_cell_measurement_theta_min      2.054
_cell_volume                     13711.2(10)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       '\f and \w 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  0.0857
_diffrn_reflns_av_sigmaI/netI    0.1350
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            116108
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    0.519
_exptl_absorpt_correction_T_max  0.8899
_exptl_absorpt_correction_T_min  0.7886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.129
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4924
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.336
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1450
_refine_ls_number_reflns         21336
_refine_ls_number_restraints     163
_refine_ls_restrained_S_all      20.603
_refine_ls_R_factor_all          0.2384
_refine_ls_R_factor_gt           0.0969
_refine_ls_shift/su_max          0.486
_refine_ls_shift/su_mean         0.013
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1866P)^2^+8.6010P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2473
_refine_ls_wR_factor_ref         0.3568
_reflns_number_gt                8034
_reflns_number_total             21336
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911178f.txt
_cod_data_source_block           EuPc2
_cod_original_cell_volume        13711.1(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7024109