Detection of anticoagulant drug warfarin by palladium complexes
Gupta, Rajeev; Kumar, Pramod; Kumar, Vijay; Dalton Trans.  (2017) –; doi:10.1039/C7DT01811H

data_7043607
_publ_section_title
;
 Detection of anticoagulant drug warfarin by palladium complexes
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01811H
_journal_year                    2017
_chemical_formula_moiety         'C37 H24 N4 O2 Pd'
_chemical_formula_sum            'C37 H24 N4 O2 Pd'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-26 deposited with the CCDC.
2017-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    293(2)
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_cell_volume                     6085(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       35
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.843
_exptl_absorpt_coefficient_mu    0.650
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2688
_refine_diff_density_max         1.399
_refine_diff_density_min         -0.361
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10709
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_refine_ls_restrained_S_all      1.017
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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^)+(0.0613P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4717
_reflns_number_total             10709
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01811h2.cif
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_cod_database_code               7043607
_shelx_shelxl_version_number     2014/7
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