Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury
Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei; The Journal of Physical Chemistry C  (2019) –; doi:10.1021/acs.jpcc.9b09239

data_1552861
_publ_section_title
;
 Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal
 473 nm Blue Light without Blue-Light Hazard/Visual Injury
;
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_paper_doi               10.1021/acs.jpcc.9b09239
_journal_year                    2019
_chemical_formula_sum            'C56 H80 Cl16 N16 O16 Zn4'
_chemical_formula_weight         2062.04
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 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                 103.732(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   7.1661(3)
_cell_length_b                   15.0840(6)
_cell_length_c                   19.1836(9)
_cell_measurement_reflns_used    6468
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      30.4290
_cell_measurement_theta_min      2.6030
_cell_volume                     2014.35(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14558
_diffrn_reflns_theta_full        30.98
_diffrn_reflns_theta_max         30.98
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    1.778
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75105
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1048
_refine_diff_density_max         2.450
_refine_diff_density_min         -2.010
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         5027
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.1148
_refine_ls_R_factor_gt           0.1021
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2082
_refine_ls_wR_factor_ref         0.2102
_reflns_number_gt                4184
_reflns_number_total             6299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp9b09239_si_004.cif
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               1552861