Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane]
Soma, Takayoshi; Iwamoto, Toschitake; Acta Crystallographica Section C 53 (1997) 1819–1821; doi:10.1107/S0108270197010196

data_2006752
_publ_contact_author
;
Dr Takayoshi Soma
Department of Chemistry
School of Science
Kitasato University
Sagamihara
Kanagawa 228
Japan
;
_publ_section_title
;
 Doubly Interpenetrating Three-Dimensional Framework Structure of
 <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn =
 1,3-Di(4-pyridyl)propane]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1819
_journal_page_last               1821
_journal_paper_doi               10.1107/S0108270197010196
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Ag2 Cd (C N)4 (C13 H14 N2)2]n'
_chemical_formula_moiety         '[(Cd 2+)(C13 H14 N2)2,(C2 N2 Ag -)2]n'
_chemical_formula_sum            'C30 H28 Ag2 Cd N8'
_chemical_formula_weight         828.57
_chemical_name_systematic
; catena-poly[cadmium(II)-[bis-\m-(1,3-di-(4-pyridyl)propane-N:N')
-\m-cyano-C,N-silver(I)-\m-cyano-C,N]]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 130.134(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.676(5)
_cell_length_b                   12.553(4)
_cell_length_c                   16.657(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.65
_cell_measurement_theta_min      17.89
_cell_volume                     2985.6(14)
_computing_cell_refinement
'      MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction        SHELX76
_computing_molecular_graphics    ORTEPII
_computing_structure_refinement  SHELX76
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_measurement_device       'RIGAKU AFC5S diffractometer'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.007
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            4752
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.02
_exptl_absorpt_correction_T_max  0.665
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.84
_exptl_crystal_density_meas      1.830(10)
_exptl_crystal_density_method    'flotation in mesitylene--bromoform'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.57
_refine_ls_extinction_coef       0.00089(6)
_refine_ls_extinction_method     'SHELX76 (Sheldrick, 1976)'
_refine_ls_goodness_of_fit_obs   0.930
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     188
_refine_ls_number_reflns         2812
_refine_ls_R_factor_obs          .0574
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo)+0.001Fo^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .0488
_reflns_number_observed          2812
_reflns_number_total             3782
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            av1010.cif
_cod_data_source_block           dppn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo)+0.001Fo^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo)+0.001Fo^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2985.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H28 Ag2 Cd1 N8'
_cod_database_code               2006752