The first example of polymeric lanthanide <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.
Burlakova, Maria; Blinnikova, Daria; Volkonovskiy, Gleb; Chai, Haoyang; Grebenyuk, Dimitry; Tsymbarenko, Dmitry; Dalton transactions (Cambridge, England : 2003) 53 (2024) 18183–18192; doi:10.1039/d4dt01114g

data_7717229
_publ_section_title
;
 The first example of polymeric lanthanide
 <i>tetrakis</i>-trifluoroacetates in chemical solution deposition of
 up-converting NaGdF<sub>4</sub>:Yb,Er,Nd thin films.
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18183
_journal_page_last               18192
_journal_paper_doi               10.1039/d4dt01114g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '2(C8 F12 Pr O8), C4 H15 N3'
_chemical_formula_sum            'C20 H15 F24 N3 O16 Pr2'
_chemical_formula_weight         1291.17
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-10-05 deposited with the CCDC.	2024-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.633(3)
_cell_length_b                   23.337(16)
_cell_length_c                   35.961(19)
_cell_measurement_reflns_used    309
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.63
_cell_measurement_theta_min      2.28
_cell_volume                     7245(7)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX4 (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'SHELXTL-2013/1 (Sheldrick, 2013)'
_computing_publication_material  'SHELXTL-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXTL XT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Quest with Photon III detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.3385
_diffrn_reflns_av_unetI/netI     0.2734
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_h_min       -5
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_diffrn_reflns_limit_k_min       -29
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_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            36584
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        27.000
_diffrn_reflns_theta_max         27.226
_diffrn_reflns_theta_min         1.835
_diffrn_source                   'Micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    2.855
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_exptl_absorpt_correction_T_min  0.5037
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            'pale green'
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_exptl_crystal_description       needle
_exptl_crystal_F_000             4944
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.035
_refine_diff_density_max         1.309
_refine_diff_density_min         -1.334
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       0.00056(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         8052
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.918
_refine_ls_R_factor_all          0.2241
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1709
_refine_ls_wR_factor_ref         0.2624
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2761
_reflns_number_total             8052
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01114g2.cif
_cod_data_source_block           Prtfa4detaH
_cod_depositor_comments
'Adding full bibliography for 7717225--7717231.cif.'
_cod_database_code               7717229
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.655
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_shelx_res_checksum              68661
_shelx_hkl_checksum              72540