A Transmetalation Reaction Enables the Synthesis of [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human PET Imaging.
Hoover, Andrew J.; Lazari, Mark; Ren, Hong; Narayanam, Maruthi Kumar; Murphy, Jennifer M.; van Dam, R. Michael; Hooker, Jacob M.; Ritter, Tobias; Organometallics 35 (2016) 1008–1014; doi:10.1021/acs.organomet.6b00059

data_4088401
_publ_section_title
;
 A Transmetalation Reaction Enables the Synthesis of
 [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human
 PET Imaging.
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1008
_journal_page_last               1014
_journal_paper_doi               10.1021/acs.organomet.6b00059
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C39 H41 N7 Ni O6 S'
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_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 95.0533(13)
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_cell_formula_units_Z            8
_cell_length_a                   37.9478(15)
_cell_length_b                   9.6576(4)
_cell_length_c                   20.4981(8)
_cell_measurement_reflns_used    9880
_cell_measurement_temperature    100(2)
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_cell_volume                     7483.0(5)
_computing_cell_refinement       'SAINT 8.34C (Bruker-AXS, 2014)'
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_computing_data_reduction        'SAINT 8.34C (Bruker-AXS, 2014)'
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_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Bruker D8 goniometer with CCD area detector  
;
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_process_details   sadabs
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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^)+(0.0333P)^2^+35.3181P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om6b00059_si_004.cif
_cod_data_source_block           AH6-192-4
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_estimated_absorpt_t_max   0.981
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_shelx_hkl_checksum              41969