Synthesis and crystal structure of [Pd{C<sub>6</sub>H<sub>4</sub>(CH<sub>2</sub>NHCH<sub>2</sub>Ph)-2-κ<sup>2</sup><i>C</i>,<i>N</i>}(μ-I)]<sub>2</sub>.
Bautista, Delia; Benitez-Benitez, Sergio J; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1612–1615; doi:10.1107/S2056989017014281

data_2311459
_publ_section_title
;
 Synthesis and crystal structure of
 [Pd{C<sub>6</sub>H<sub>4</sub>(CH<sub>2</sub>NHCH<sub>2</sub>Ph)-2-\k<sup>2</sup><i>C</i>,<i>N</i>}(\m-I)]<sub>2</sub>.
;
_journal_coeditor_code           WM5411
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1612
_journal_page_last               1615
_journal_paper_doi               10.1107/S2056989017014281
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Pd2 I2 (C14 H14 N1)2]'
_chemical_formula_moiety         'C28 H28 I2 N2 Pd2'
_chemical_formula_sum            'C28 H28 I2 N2 Pd2'
_chemical_formula_weight         859.12
_chemical_name_systematic
Di-\m-iodido-bis({2-[(benzylamino-\k<i>N</i>)methyl]phenyl-\k<i>C</i>^1^}palladium(II))
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 90.200(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2201(12)
_cell_length_b                   9.9787(7)
_cell_length_c                   19.4205(13)
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.57
_cell_measurement_theta_min      2.29
_cell_volume                     2755.7(4)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2013 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            70523
_diffrn_reflns_theta_full        26.500
_diffrn_reflns_theta_max         26.605
_diffrn_reflns_theta_min         2.097
_exptl_absorpt_coefficient_mu    3.565
_exptl_absorpt_correction_T_max  0.9281
_exptl_absorpt_correction_T_min  0.7875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.071
_exptl_crystal_description       lath
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.035
_refine_diff_density_max         2.454
_refine_diff_density_min         -0.645
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         5768
_refine_ls_number_restraints     319
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0310
_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^)+(0.0439P)^2^+10.4728P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0836
_reflns_number_gt                5148
_reflns_number_total             5768
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5411sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311459
_shelx_estimated_absorpt_t_min   0.617
_shelx_estimated_absorpt_t_max   0.885
_shelx_hkl_checksum              75924
_shelx_res_checksum              70617