N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I, C?H?M, and I?I interactions in the crystal structure of its hexaiododipalladate(II) derivativeElectronic supplementary information (ESI) available: Figure S1, Table S1. See http://www.rsc.org/suppdata/ce/b3/b305804b/
Neve, Francesco; Crispini, Alessandra; CrystEngComm 5 (2003) 265–; doi:10.1039/b305804b

data_7204692
_publ_section_title
;
 N,N?-Dodecamethylene-bis(pyridinium) goes lamellar. Role of C?H?I,
 C?H?M, and I?I interactions in the crystal structure of its
 hexaiododipalladate(II) derivativeElectronic supplementary information
 (ESI) available: Figure S1, Table S1. See
 http://www.rsc.org/suppdata/ce/b3/b305804b/
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              265
_journal_paper_doi               10.1039/b305804b
_journal_volume                  5
_journal_year                    2003
_chemical_formula_moiety         'C22 H34 I6 N2 Pd2'
_chemical_formula_sum            'C22 H34 I6 N2 Pd2'
_chemical_formula_weight         1300.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                93.953(2)
_cell_angle_beta                 107.892(2)
_cell_angle_gamma                92.848(2)
_cell_formula_units_Z            1
_cell_length_a                   8.5038(10)
_cell_length_b                   8.8887(10)
_cell_length_c                   11.5366(13)
_cell_measurement_temperature    293(2)
_cell_volume                     825.57(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device       'Bruker Smart Apex'
_diffrn_measurement_method       \o/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8322
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    6.712
_exptl_absorpt_correction_T_max  0.6508
_exptl_absorpt_correction_T_min  0.1695
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             590
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.886
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       0.0020(4)
_refine_ls_extinction_expression Fc^*^==kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.942
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w==1/[\s^2^(Fo^2^)+(0.0662P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1120
_reflns_number_gt                2879
_reflns_number_total             3935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b305804b.txt
_cod_data_source_block           copmound
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'psi scan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7204692