Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films
Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg; RSC Advances 12 (2022) 22974–22983; doi:10.1039/D2RA01338J

data_7245331
_publ_section_title
;
 Fluorinated \b-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn)
 as precursors for the MOCVD growth of metal and metal oxide thin films
;
_journal_issue                   35
_journal_name_full               'RSC Advances'
_journal_page_first              22974
_journal_page_last               22983
_journal_paper_doi               10.1039/D2RA01338J
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C16 H24 F6 N2 O4 Zn'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-07-27 deposited with the CCDC.	2022-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_computing_molecular_graphics    'ORTEP/PLATON (Spek)'
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_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Bruker D8 KAPPA II (APEX II detector)'
_diffrn_measurement_method       'Data collection strategy APEX 2/COSMO'
_diffrn_radiation_monochromator  'Triumph Goebel mirror'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43803
_diffrn_reflns_point_group_measured_fraction_full 0.988
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_exptl_absorpt_coefficient_mu    1.160
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_exptl_absorpt_correction_T_min  0.62
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS
 R.H. Blessing, Acta Cryst. (1995) A51 33-38 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_description       tablet
_exptl_crystal_F_000             1000
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_exptl_crystal_size_mid          0.359
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0475P)^2^+1.6161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1459
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5203
_reflns_number_total             6974
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ra01338j2.cif
_cod_data_source_block           cst_178m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_secondary' value 'diffmap' was
changed to 'difmap'.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        2254(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7245331
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.573
_shelx_estimated_absorpt_t_max   0.810
_shelx_res_checksum              13052