meso-Phenyltetrabenzotriazaporphyrin based double-decker lanthanide(iii) complexes: synthesis, structure, spectral properties and electrochemistry.
Pushkarev, Victor E.; Kalashnikov, Valery V.; Tolbin, Alexander Yu; Trashin, Stanislav A.; Borisova, Nataliya E.; Simonov, Sergey V.; Rybakov, Victor B.; Tomilova, Larisa G.; Zefirov, Nikolay S.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 16553–16564; doi:10.1039/c5dt01933h

data_7035866
_publ_section_title
;
 meso-Phenyltetrabenzotriazaporphyrin based double-decker lanthanide(iii)
 complexes: synthesis, structure, spectral properties and
 electrochemistry.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16553
_journal_page_last               16564
_journal_paper_doi               10.1039/c5dt01933h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C78 H42 Eu N14'
_chemical_formula_sum            'C78 H42 Eu N14'
_chemical_formula_weight         1327.21
_chemical_name_systematic
; 
 Bis[27--phenyltetrabenzo[b,g,l,q][5,10,15]triazaporphyrinato] europium(III)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-06-16 deposited with the CCDC.
2015-07-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 122.4170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.7080(6)
_cell_length_b                   13.4864(2)
_cell_length_c                   36.4446(7)
_cell_measurement_reflns_used    31462
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      69.32
_cell_measurement_theta_min      3.58
_cell_volume                     13571.0(4)
_computing_cell_refinement       'X-AREA (STOE & CIE, 2012)'
_computing_data_collection       'X-AREA (STOE & CIE, 2012)'
_computing_data_reduction        'X-AREA (STOE & CIE, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 Pilatus100K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            STOE
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_details      '3691 frames, detector distance = 60 mm'
_diffrn_measurement_device_type  'Stoe STADI VARI'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  none
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_unetI/netI     0.3656
_diffrn_reflns_laue_measured_fraction_max 0.931
_diffrn_reflns_number            23609
_diffrn_reflns_point_group_measured_fraction_max 0.931
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         69.255
_diffrn_reflns_theta_min         3.592
_diffrn_source                   'Cu GeniX 3D'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    7.042
_exptl_absorpt_correction_T_max  0.4945
_exptl_absorpt_correction_T_min  0.0334
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
 Walker & Stuart (1983). Acta. Cryst. A<b>39</b>, 158--166.
;
_exptl_crystal_colour            'Dark green'
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_description       Prism
_exptl_crystal_F_000             5368
_exptl_crystal_preparation       'diethyl ether--THF (9:1)'
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.585
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1627
_refine_ls_number_reflns         23609
_refine_ls_number_restraints     1314
_refine_ls_restrained_S_all      0.583
_refine_ls_R_factor_all          0.2168
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0025P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0252
_refine_ls_wR_factor_ref         0.0360
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6142
_reflns_number_total             23609
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01933h2.cif
_cod_data_source_block           lt56313_symm
_cod_depositor_comments          'Adding full bibliography for 7035866.cif.'
_cod_database_code               7035866
_shelx_res_checksum              99905