A new class of rare earth tetrapyrrole sandwich complexes containing corrole and phthalocyanine macrocycles: synthesis, physicochemical characterization and X-ray analysis
Guifen Lu; Sen Yan; Mengying Shi; Wenhan Yu; Jing Li; Weihua Zhu; Zhongping Ou; Karl M. Kadish; Chem.Commun. 51 (2015) 2411–; doi:10.1039/C4cc09755F

data_7116457
_publ_section_title
;
 A new class of rare earth tetrapyrrole sandwich complexes containing
 corrole and phthalocyanine macrocycles: synthesis, physicochemical
 characterization and X-ray analysis
;
_journal_name_full               Chem.Commun.
_journal_page_first              2411
_journal_paper_doi               10.1039/C4cc09755F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C229 H308 Cl3 Eu2 N20 O16'
_chemical_formula_weight         4007.26
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/cc139g73
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_audit_update_record
;
2014-09-01 deposited with the CCDC.
2014-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                99.59(3)
_cell_angle_beta                 106.63(3)
_cell_angle_gamma                106.33(3)
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_cell_length_b                   24.158(5)
_cell_length_c                   25.212(5)
_cell_measurement_reflns_used    6783
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.45
_cell_measurement_theta_min      2.12
_cell_volume                     10710(5)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      120(2)
_diffrn_detector_area_resol_mean 16.2141
_diffrn_measured_fraction_theta_full 0.945
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_l_min       -30
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_diffrn_standards_interval_count 0
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_exptl_absorpt_coefficient_mu    0.683
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_exptl_absorpt_correction_T_min  0.884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Oxford Diffraction Ltd., 
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET) 
(compiled Aug 27 2010,11:50:40) 
Empirical absorption correction using spherical harmonics, 
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             12648
_exptl_crystal_size_max          0.20
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         39812
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.3804
_reflns_number_gt                26978
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc09755f2.cif
_cod_data_source_block           123
_cod_original_cell_volume        10710(4)
_cod_database_code               7116457