Reversible switching of the coordination modes of a pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear palladium complexes.
Ghisolfi, Alessio; Waldvogel, Audrey; Routaboul, Lucie; Braunstein, Pierre; Inorganic chemistry 53 (2014) 5515–5526; doi:10.1021/ic500194y

data_4338410
_publ_section_title
;
 Reversible switching of the coordination modes of a
 pyridine-functionalized quinonoid zwitterion; its di- and tetranuclear
 palladium complexes.
;
_journal_issue                   11
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5515
_journal_page_last               5526
_journal_paper_doi               10.1021/ic500194y
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C56 H66 Cl N8 O2 Pd4, F6 P, C H2 Cl2'
_chemical_formula_sum            'C57 H68 Cl3 F6 N8 O2 P Pd4'
_chemical_formula_weight         1574.11
_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'
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_cell_angle_alpha                67.2630(10)
_cell_angle_beta                 72.1790(10)
_cell_angle_gamma                67.7580(10)
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_cell_length_b                   16.4948(10)
_cell_length_c                   16.8929(10)
_cell_measurement_reflns_used    5986
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.25
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_max 0.995
_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_unetI/netI     0.0987
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_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_correction_T_max  0.9617
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_exptl_crystal_colour            green
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_exptl_crystal_description       plate
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_platon_squeeze_details
;
The residual electron density was assigned to one molecule of the
dichloromethane solvent [72/2 = 36 e per asymmetric unit; one molecule
of C1H2Cl2 would give 42 e]. 
;
_refine_diff_density_max         3.302
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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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^)+(0.1380P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2213
_refine_ls_wR_factor_ref         0.2460
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9758
_reflns_number_total             17119
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           6,CH2Cl2
_cod_depositor_comments
'Adding full bibliography for 4338406--4338410.cif.'
_cod_database_code               4338410
_shelx_estimated_absorpt_t_min   0.827
_shelx_estimated_absorpt_t_max   0.962
_shelxl_version_number           2013-4
_shelx_res_checksum              56132
_shelx_hkl_checksum              49177