The chelate-to-bridging shift of phosphane dipalladacycles: convenient synthesis of double A-frame tetranuclear complexes.
Frieiro-Gomis, Pablo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Ortigueira, Juan M.; Pereira, M. Teresa; Polo-Ces, Paula; Vázquez-García, Digna; Vila, José M; Chemical communications (Cambridge, England) 54 (2018) 2662–2665; doi:10.1039/c8cc01046c

data_7121303
_publ_section_title
;
 The chelate-to-bridging shift of phosphane dipalladacycles: convenient
 synthesis of double A-frame tetranuclear complexes.
;
_journal_issue                   21
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2662
_journal_page_last               2665
_journal_paper_doi               10.1039/c8cc01046c
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety
' C164 H148 Br2 N4 O14 P8 Pd4, 2(F6 P),2(C3 H6 O) [+ solvent]'
_chemical_formula_sum            'C85 H80 Br F6 N2 O8 P5 Pd2'
_chemical_formula_weight         1819.07
_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
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_audit_update_record
;
2018-01-26 deposited with the CCDC.
2018-02-19 downloaded from the CCDC.
;
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_cell_angle_gamma                75.228(7)
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_cell_length_c                   17.1294(19)
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_cell_measurement_theta_min      2.57
_cell_volume                     4299.7(8)
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0595
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_diffrn_reflns_theta_max         25.000
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.265
_refine_ls_R_factor_all          0.0547
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0647P)^2^+0.5620P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             15141
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7121301--7121303.cif.'
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_platon_squeeze_void_probe_radius 1.20