Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular square and a molecular tetrahedron.
Behnia, Ava; Boyle, Paul D.; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 19485–19490; doi:10.1039/c6dt04264c

data_7041231
_publ_section_title
;
 Pincer-plus-one ligands in self-assembly with palladium(ii): a molecular
 square and a molecular tetrahedron.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19485
_journal_page_last               19490
_journal_paper_doi               10.1039/c6dt04264c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C13 H10 Cl4 N2 O Pd'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc1mfb9p
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-02 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
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_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Axis Apex2'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'sealed tube'
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'Re-crystallisation from solvent: chloroform'
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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^)+(0.0596P)^2^+1.6631P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0727
_refine_ls_wR_factor_ref         0.0748
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2373
_reflns_number_total             2574
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt04264c1.cif
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_cod_depositor_comments
'Adding full bibliography for 7041229--7041231.cif.'
_cod_database_code               7041231
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.604
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_shelx_res_checksum              18570