"Click" labeling strategy for M(CO)(3) (M = Re, (99m)Tc) prostate cancer targeted flutamide agents.
Moore, Adam L.; Bucar, Dejan-Kresimir; Macgillivray, Leonard R.; Benny, Paul D.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1926–1928; doi:10.1039/b921413e

data_7024801
_publ_section_title
;
 &quot;Click&quot; labeling strategy for M(CO)(3) (M = Re, (99m)Tc)
 prostate cancer targeted flutamide agents.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1926
_journal_page_last               1928
_journal_paper_doi               10.1039/b921413e
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C27 H21 F3 N8 O6 Re, Cl'
_chemical_formula_sum            'C27 H21 Cl F3 N8 O6 Re'
_chemical_formula_weight         832.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2009-02-05T01:15:28-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90.604(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   31.824(4)
_cell_length_b                   11.2317(12)
_cell_length_c                   16.0096(17)
_cell_measurement_reflns_used    9853
_cell_measurement_temperature    210(1)
_cell_measurement_theta_max      25.33
_cell_measurement_theta_min      1.00
_cell_volume                     5722.1(11)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo, Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL v6.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL v6.1 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXTL v6.1 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL v6.1 (Sheldrick, 1997)'
_diffrn_ambient_temperature      210(1)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_R_equivalents  0.116
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_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17938
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_meas      1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3248
_exptl_crystal_size_max          0.10
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_exptl_crystal_size_min          0.035
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_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5011
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.96
_refine_ls_R_factor_all          0.0936
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0240P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3229
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            b921413e.txt
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7024801