Pure white-light and colour-tuning of Eu(3+)-Gd(3+)-containing metallopolymer.
Zhang, Zhao; He, Ya-Ni; Liu, Lin; Lü, Xing-Qiang; Zhu, Xun-Jin; Wong, Wai-Kwok; Pan, Mei; Su, Cheng-Yong; Chemical communications (Cambridge, England) 52 (2016) 3713–3716; doi:10.1039/c5cc09946c

data_7118708
_publ_section_title
;
 Pure white-light and colour-tuning of Eu(3+)-Gd(3+)-containing
 metallopolymer.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3713
_journal_page_last               3716
_journal_paper_doi               10.1039/c5cc09946c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C65.5 H54 N3 O7.75 Tb'
_chemical_formula_weight         1166.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_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
_audit_update_record
;
2015-11-26 deposited with the CCDC.
2016-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 95.2480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.8876(3)
_cell_length_b                   16.8644(2)
_cell_length_c                   25.0129(3)
_cell_measurement_temperature    293(2)
_cell_volume                     11294.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42853
_diffrn_reflns_theta_full        24.70
_diffrn_reflns_theta_max         24.70
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.310
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4760
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.148
_refine_diff_density_min         -1.469
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1352
_refine_ls_number_reflns         18774
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1544P)^2^+58.1942P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2335
_refine_ls_wR_factor_ref         0.2577
_reflns_number_gt                13772
_reflns_number_total             18774
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc09946c2.cif
_cod_data_source_block           zz
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118708.cif.
;
_cod_original_sg_symbol_H-M      P2/c
_cod_original_formula_sum        'C65.50 H54 N3 O7.75 Tb'
_cod_database_code               7118708