Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and biological study in human cell lines
Das, Kuheli; Nandi, Soumendra; Mondal, Sudipa; Askun, Tulin; Cantürk, Zerrin; Celikboyun, Pinar; Massera, Chiara; Garribba, Eugenio; Datta, Amitabha; Sinha, Chittaranjan; Akitsu, Takashiro; New J. Chem. 39 (2015) 1101–; doi:10.1039/C4NJ01464B

data_7054543
_publ_section_title
;
 Triply phenoxo bridged Eu(iii) and Sm(iii) complexes with
 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and
 biological study in human cell lines
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1101
_journal_paper_doi               10.1039/C4NJ01464B
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         '(C69 H51 Eu2 N12 O9),8(H2O)'
_chemical_formula_sum            'C69 H59.33 Eu2 N12 O11.67'
_chemical_formula_weight         1547.20
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 123.5420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   46.333(3)
_cell_length_b                   17.2990(10)
_cell_length_c                   32.343(2)
_cell_measurement_reflns_used    5820
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      1.28
_cell_volume                     21607(2)
_computing_cell_refinement       'APEX-II (2008)'
_computing_data_collection       'APEX-II (2008)'
_computing_data_reduction        'SAINT (2008)'
_computing_molecular_graphics    'Mercury CSD 3.3.1'
_computing_publication_material
'PARST M. Nardelli, J.Appl.Crystallogr.1995,28,659'
_computing_structure_refinement
'SHELXL-97 G.M.Sheldrick,ActaCrystA,2008,A64,112-122'
_computing_structure_solution    'SIR97 (Giacovazzo and co., 1999)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0949
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            129889
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.28
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.791
_exptl_absorpt_correction_T_max  0.7463
_exptl_absorpt_correction_T_min  0.6148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex-II SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             9320
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.333
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1257
_refine_ls_number_reflns         22113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0840P)^2^+44.1510P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1633
_reflns_number_gt                13946
_reflns_number_total             22113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj01464b2.cif
_cod_data_source_block           kd22
_cod_depositor_comments          'Adding full bibliography for 7054543.cif.'
_cod_original_cell_volume        21606(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7054543