Unexpected isomerism in "[Pd(2,9-dimethylphenanthroline)X(2)]" (X = Cl, Br, I) complexes: a neutral and an ionic form exist.
Rimoldi, Martino; Ragaini, Fabio; Gallo, Emma; Ferretti, Francesco; Macchi, Piero; Casati, Nicola; Dalton transactions (Cambridge, England : 2003) 41 (2012) 3648–3658; doi:10.1039/c2dt11979j

data_7018423
_publ_section_title
;
 Unexpected isomerism in &quot;[Pd(2,9-dimethylphenanthroline)X(2)]&quot;
 (X = Cl, Br, I) complexes: a neutral and an ionic form exist.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3648
_journal_page_last               3658
_journal_paper_doi               10.1039/c2dt11979j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C29 H26 Cl6 N4 Pd2'
_chemical_formula_weight         856.04
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2011-09-05T17:14:13-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 102.442(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.897(4)
_cell_length_b                   21.440(8)
_cell_length_c                   15.012(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3111(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_max 0.935
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_unetI/netI     0.0215
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            34573
_diffrn_reflns_theta_max         30.71
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.85
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.761
_refine_diff_density_min         -0.468
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.04
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         9042
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.04
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0316P)^2^+1.6121P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                7434
_reflns_number_total             9042
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c2dt11979j.txt
_cod_data_source_block           1a
_cod_database_code               7018423