Rare-Earth-Containing Magnetic Liquid Crystals
Koen Binnemans; Yury G. Galyametdinov; Rik Van Deun; Duncan W. Bruce; Simon R. Collinson; Arkadiy P. Polishchuk; Ildar Bikchantaev; Wolfgang Haase; Andrey V. Prosvirin; Larisa Tinchurina; Igor Litvinov; Ajdar Gubajdullin; Ajdar Rakhmatullin; Koen Uytterhoeven; Luc Van Meervelt; Journal of the American Chemical Society 122 (2000) 4335–4344; doi:10.1021/ja993351q

data_4115991
_publ_section_title
;
 Rare-Earth-Containing Magnetic Liquid Crystals
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4335
_journal_page_last               4344
_journal_paper_doi               10.1021/ja993351q
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C36 H51 Dy N6 O15'
_chemical_formula_weight         970.33
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           PLATON
_cell_angle_alpha                98.70(3)
_cell_angle_beta                 98.15(2)
_cell_angle_gamma                92.67(2)
_cell_formula_units_Z            2
_cell_length_a                   11.380(1)
_cell_length_b                   13.800(5)
_cell_length_c                   14.030(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      14
_cell_volume                     2150.8(11)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1977)
_computing_data_collection       CAD4_(Enraf-Nonius,_1977)
_computing_data_reduction        process_MolEN_(Fair,_1990)
_computing_molecular_graphics    ORTEP_(Johnson,_1976)
_computing_publication_material  BTABLE_PTABLE_CIF_IN_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      294(2)
_diffrn_measurement_device_type  Enraf_Nonius_CAD4
_diffrn_measurement_method       '\w\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13477
_diffrn_reflns_theta_max         30.41
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_time  7200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.81
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8418
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             990
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.07
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.995
_refine_ls_hydrogen_treatment    refined_isotropically
_refine_ls_number_parameters     727
_refine_ls_number_reflns         9711
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.025
_refine_ls_shift/esd_max         0.100
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '4Fo^2^/ (\s^2^(Fo^2^) + 0.0016 Fo^4^)'
_refine_ls_wR_factor_obs         0.030
_reflns_number_gt                10305
_reflns_number_total             10305
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            ja993351q_2.cif
_cod_data_source_block           Dy
_cod_original_cell_volume        2150.76
_cod_database_code               4115991