The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.
Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M.; Inorganic chemistry  (2014) 141126065928000–; doi:10.1021/ic5023054

data_4341799
_publ_section_title
;
 The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is
 Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141126065928000
_journal_paper_doi               10.1021/ic5023054
_journal_year                    2014
_chemical_formula_moiety         'C26 H39 N6 Pd, 3(C F3 O3 S)'
_chemical_formula_sum            'C29 H39 F9 N6 O9 Pd S3'
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_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'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                89.532(4)
_cell_angle_beta                 84.959(4)
_cell_angle_gamma                88.827(4)
_cell_formula_units_Z            4
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_cell_measurement_reflns_used    9105
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.37
_cell_volume                     3936.8(5)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.062
_diffrn_measured_fraction_theta_max 1.062
_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_Laue_measured_fraction_full 1.062
_diffrn_reflns_Laue_measured_fraction_max 1.062
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            94632
_diffrn_reflns_point_group_measured_fraction_full 1.062
_diffrn_reflns_point_group_measured_fraction_max 1.062
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.566
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_correction_T_min  0.7615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2012/1'
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_exptl_crystal_description       rectangular
_exptl_crystal_F_000             2008
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_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1076
_refine_ls_number_reflns         13698
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0846
_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^)+(0.0761P)^2^+77.7871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5023054_si_002.cif
_cod_data_source_block           l3011
_cod_database_code               4341799
_shelx_estimated_absorpt_t_min   0.864
_shelx_estimated_absorpt_t_max   0.915
_shelxl_version_number           2013-3
_shelx_res_checksum              66764
_shelx_hkl_checksum              62423