Intermolecular interactions in dictating the self-assembly of halogen derivatives of bis-(N-substituted oxamato)palladate(II) complexes
Fortea-Pérez, Francisco Ramón; Marino, Nadia; De Munno, G.; Armentano, Donatella; Julve, Miguel; Stiriba, Salah-Eddine; RSC Adv.  (2016) –; doi:10.1039/C5RA25136B

data_7223809
_publ_section_title
;
 Intermolecular interactions in dictating the self-assembly of halogen
 derivatives of bis-(N-substituted oxamato)palladate(II) complexes
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA25136B
_journal_year                    2016
_chemical_formula_sum            'C48 H88 Cl2 N4 O10 Pd'
_chemical_formula_weight         1058.52
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-06-24 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;
_cell_angle_alpha                63.551(3)
_cell_angle_beta                 69.815(4)
_cell_angle_gamma                82.697(4)
_cell_formula_units_Z            2
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_cell_length_b                   15.6996(11)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.6
_cell_measurement_theta_min      2.23
_cell_volume                     2830.8(4)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0600
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_diffrn_reflns_laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            54404
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         1.403
_diffrn_source                   'fine-focus sealed tube'
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_description       prism
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: water'
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_refine_ls_extinction_method     none
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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^)+(0.1025P)^2^+1.9766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             11951
_reflns_threshold_expression     'I > 2\s(I)'
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_shelxl_version_number           2013-4
_shelx_res_checksum              31731