Crosslinking a palladium(ii) polymer gives a laminated sheet structure
Qin, Zengquan; Jennings, Michael C.; Puddephatt, Richard J.; Chemical Communications  (2002) 354–; doi:10.1039/b110307e

data_7114107
_publ_section_title
;
 Crosslinking a palladium(ii) polymer gives a laminated sheet structure
;
_journal_issue                   4
_journal_name_full               'Chemical Communications'
_journal_page_first              354
_journal_paper_doi               10.1039/b110307e
_journal_year                    2002
_chemical_formula_sum            'C100.75 H95.5 F12 N10 O20.25 P4 Pd2 S4'
_chemical_formula_weight         2463.29
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.1810(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.0823(2)
_cell_length_b                   18.8209(2)
_cell_length_c                   29.9815(5)
_cell_measurement_temperature    200(2)
_cell_volume                     11329.6(3)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'phi/omega scans'
_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  0.090
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            98561
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.8889
_exptl_absorpt_correction_T_min  0.7393
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       shoebox
_exptl_crystal_F_000             5024
_exptl_crystal_size_max          0.625
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.275
_refine_diff_density_max         5.169
_refine_diff_density_min         -1.419
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     1309
_refine_ls_number_reflns         25914
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1618
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_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+262.6234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3370
_refine_ls_wR_factor_ref         0.3467
_reflns_number_gt                19203
_reflns_number_total             25914
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b110307e.txt
_cod_data_source_block           01040
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C100.75 H95.50 F12 N10 O20.25 P4 Pd2 S4'
_cod_database_code               7114107