Palladium(II)-palladium(II) bonding in two open clamshell dinuclear complexes
Patra, Shanti G.; Shee, Nirmal K.; Drew, Michael G. B.; Datta, Dipankar; New J. Chem. 41 (2017) 7384–7391; doi:10.1039/C7NJ01604B

data_7056371
_publ_section_title
;
 Palladium(II)-palladium(II) bonding in two open clamshell dinuclear
 complexes
;
_journal_issue                   15
_journal_name_full               'New J. Chem.'
_journal_page_first              7384
_journal_page_last               7391
_journal_paper_doi               10.1039/C7NJ01604B
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C52 H44 Cl2 N14 O8 Pd2'
_chemical_formula_weight         1276.71
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2017-06-21 deposited with the CCDC.
2017-06-23 downloaded from the CCDC.
;
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_cell_angle_gamma                89.922(11)
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_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.959
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_diffrn_measurement_method       '321 frames, counting time 10 s.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0157
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_diffrn_reflns_Laue_measured_fraction_full 0.984
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.997
_diffrn_reflns_theta_min         3.208
_diffrn_standards_decay_%        n/a
_diffrn_standards_interval_count n/a
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_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.025(17)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7669
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0316P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.042
_reflns_number_gt                7410
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2
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_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              62867