A new class of thermotropic lanthanidomesogens: Eu(iii) nitrate complexes with mesogenic 4-pyridone ligands.
Pană, Amalia; Chiriac, Florentina L.; Secu, Mihail; Pasuk, Iuliana; Ferbinteanu, Marilena; Micutz, Marin; Cîrcu, Viorel; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14196–14199; doi:10.1039/c5dt01197c

data_7035732
_publ_section_title
;
 A new class of thermotropic lanthanidomesogens: Eu(iii) nitrate complexes
 with mesogenic 4-pyridone ligands.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14196
_journal_page_last               14199
_journal_paper_doi               10.1039/c5dt01197c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C36 H33 Eu N6 O12, 2(C2 H3 N)'
_chemical_formula_sum            'C40 H39 Eu N8 O12'
_chemical_formula_weight         975.75
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-06-12T09:13:05-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-06-16 deposited with the CCDC.
2015-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                78.952(6)
_cell_angle_beta                 80.569(6)
_cell_angle_gamma                61.141(4)
_cell_formula_units_Z            2
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_cell_length_c                   14.6520(10)
_cell_measurement_reflns_used    23923
_cell_measurement_temperature    293(2)
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_cell_volume                     2234.9(2)
_computing_cell_refinement
;
        CrystalClear-SM Expert 2.0 r14 (Rigaku, 2011)
;
_computing_data_collection
;
        CrystalClear-SM Expert 2.0 r14 (Rigaku, 2011)
;
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;
        CrystalClear-SM Expert 2.0 r14 (Rigaku, 2011)
;
_computing_molecular_graphics    WinGX
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'imaging plate'
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device
;
        three-circle diffractometer
;
_diffrn_measurement_device_type
;
        Rigaku RAXIS Rapid II
;
_diffrn_measurement_method       'profile data from \w-scans'
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_diffrn_orient_matrix_UB_13      -0.010609
_diffrn_orient_matrix_UB_21      -0.078742
_diffrn_orient_matrix_UB_22      0.005862
_diffrn_orient_matrix_UB_23      0.015638
_diffrn_orient_matrix_UB_31      0.005362
_diffrn_orient_matrix_UB_32      0.000546
_diffrn_orient_matrix_UB_33      0.067172
_diffrn_radiation_monochromator  'bent graphite'
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 0.965
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_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.003
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.47
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.784
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.45
_exptl_crystal_description       Prism
_exptl_crystal_F_000             988
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
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_refine_diff_density_max         1.156
_refine_diff_density_min         -0.64
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+0.8077P+1.0000sin\q/\l]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.069
_refine_ls_wR_factor_ref         0.0738
_reflns_Friedel_coverage         0
_reflns_number_gt                8664
_reflns_number_total             9808
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01197c2.cif
_cod_data_source_block           mf1s12pa
_cod_depositor_comments          'Adding full bibliography for 7035732.cif.'
_cod_database_code               7035732
_shelx_estimated_absorpt_t_min   0.667
_shelx_estimated_absorpt_t_max   0.81