The first example of Tb3-containing metallopolymer-type hybrid materials with efficient and high color-purity green luminescence.
Zhang, Zhao; Feng, Heini; Liu, Lin; Yu, Chao; Lü, Xingqiang; Zhu, Xunjin; Wong, Wai-Kwok; Jones, Richard A.; Pan, Mei; Su, Chengyong; Dalton transactions (Cambridge, England : 2003) 44 (2015) 6229–6241; doi:10.1039/c5dt00141b

data_7034126
_publ_section_title
;
 The first example of Tb3-containing metallopolymer-type hybrid materials
 with efficient and high color-purity green luminescence.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6229
_journal_page_last               6241
_journal_paper_doi               10.1039/c5dt00141b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C71 H82 Cl5 N8 O16 Tb3'
_chemical_formula_weight         1957.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-20 deposited with the CCDC.
2015-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                71.523(16)
_cell_angle_beta                 80.787(19)
_cell_angle_gamma                62.199(15)
_cell_formula_units_Z            2
_cell_length_a                   16.089(15)
_cell_length_b                   17.155(17)
_cell_length_c                   18.684(19)
_cell_measurement_temperature    296(2)
_cell_volume                     4326(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0678
_diffrn_reflns_av_sigmaI/netI    0.1602
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21420
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    2.641
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1944
_refine_diff_density_max         2.393
_refine_diff_density_min         -3.853
_refine_diff_density_rms         0.381
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     908
_refine_ls_number_reflns         15042
_refine_ls_number_restraints     53
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1798
_refine_ls_R_factor_gt           0.0975
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1859P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2480
_refine_ls_wR_factor_ref         0.3223
_reflns_number_gt                7303
_reflns_number_total             15042
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00141b2.cif
_cod_data_source_block           zz
_cod_depositor_comments          'Adding full bibliography for 7034126.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7034126