First Halogen Anion-Bridged (MMX)n-Type One-Dimensional Coordination Polymer Built upon d10-d10 Dimers
Tianle Zhang; Changpeng Ji; Kaili Wang; Daniel Fortin; Pierre D. Harvey; Inorganic Chemistry 49 (2010) 11069–11076; doi:10.1021/ic101619y

data_4317165
_publ_section_title
;
 First Halogen Anion-Bridged (MMX)n-Type One-Dimensional Coordination
 Polymer Built upon d10-d10 Dimers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11069
_journal_page_last               11076
_journal_paper_doi               10.1021/ic101619y
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C32 H26 Ag2 Cl2 N4 O4 P2'
_chemical_formula_weight         879.15
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 100.237(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.263(4)
_cell_length_b                   13.911(3)
_cell_length_c                   8.236(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2059.1(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            7423
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    1.197
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.765
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.122
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.258
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         2108
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.293
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0491
_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^)+(0.1083P)^2^+1.5714P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1610
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                1981
_reflns_number_total             2108
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101619y_si_002.cif
_cod_data_source_block           070116am
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2059.1(9)
_cod_database_code               4317165