Sandwich rare earth complexes simultaneously involving aromatic phthalocyanine and antiaromatic hemiporphyrazine ligands showing a predominantly aromatic nature.
Liu, Wenbo; Pan, Houhe; Wang, Ziqian; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang; Chemical communications (Cambridge, England) 53 (2017) 3765–3768; doi:10.1039/c7cc01279a

data_7119815
_publ_section_title
;
 Sandwich rare earth complexes simultaneously involving aromatic
 phthalocyanine and antiaromatic hemiporphyrazine ligands showing a
 predominantly aromatic nature.
;
_journal_issue                   26
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3765
_journal_page_last               3768
_journal_paper_doi               10.1039/c7cc01279a
_journal_volume                  53
_journal_year                    2017
_chemical_formula_sum            'C60 H38 Eu N16 O2'
_chemical_formula_weight         1167.02
_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
_audit_update_record
;
2016-05-18 deposited with the CCDC.
2017-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.792(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4769(2)
_cell_length_b                   24.0061(4)
_cell_length_c                   21.6073(3)
_cell_measurement_reflns_used    7129
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      66.8897
_cell_measurement_theta_min      3.6794
_cell_volume                     4828.79(15)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13941
_diffrn_reflns_theta_full        62.49
_diffrn_reflns_theta_max         62.49
_diffrn_reflns_theta_min         3.68
_exptl_absorpt_coefficient_mu    9.841
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44331
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2356
_refine_diff_density_max         1.057
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         7651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0638P)^2^+4.3950P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0997
_refine_ls_wR_factor_ref         0.1038
_reflns_number_gt                6871
_reflns_number_total             7651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc01279a2.cif
_cod_data_source_block           160513a
_cod_depositor_comments
'Adding full bibliography for 7119815--7119816.cif.'
_cod_database_code               7119815