Electrostatically-driven assembly of MWCNTs with a europium complex
Laura Maggini; Hassan Traboulsi; K.Yoosaf; John Mohanraj; Johan Wouters; Oksana Pietraszkiewicz; Marek Pietraszkiewicz; Nicola Armaroli; Davide Bonifazi; Chem.Commun. 47 (2011) 1625–; doi:10.1039/c0cc02874f

data_7105874
_publ_section_title
;
 Electrostatically-driven assembly of MWCNTs with a europium complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              1625
_journal_paper_doi               10.1039/c0cc02874f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C56 H32 Eu F12 O8, C8 H20 N'
_chemical_formula_sum            'C64 H52 Eu F12 N O8'
_chemical_formula_weight         1343.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 117.955(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.1252(10)
_cell_length_b                   21.996(2)
_cell_length_c                   12.8415(10)
_cell_measurement_reflns_used    3975
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.6139
_cell_measurement_theta_min      3.3018
_cell_volume                     3025.3(5)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    shelxs86
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.3712
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.779
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_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
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.2738
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19343
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.69
_diffrn_reflns_theta_min         3.31
_exptl_absorpt_coefficient_mu    1.128
_exptl_absorpt_correction_T_max  0.9778
_exptl_absorpt_correction_T_min  0.7141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.474
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plaquet
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.424
_refine_diff_density_min         -0.957
_refine_diff_density_rms         0.141
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.818
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         14328
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      0.820
_refine_ls_R_factor_all          0.2155
_refine_ls_R_factor_gt           0.0903
_refine_ls_shift/su_max          0.081
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1316P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2174
_refine_ls_wR_factor_ref         0.2500
_reflns_number_gt                4801
_reflns_number_total             14328
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC02874F.TXT
_cod_data_source_block           bn_dln-ipc022-eur
_cod_original_cell_volume        3025.3(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7105874