Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand
Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K.; Pol.J.Chem. 82 (2008) 547–557; doi:

data_1500040
_publ_contact_author_address
;Atomic Energy Commission of Syria (AECS), 
Damascus,
P. O. Box 6091,
Syrian Arab Republic
;
_publ_contact_author_email       malktaifani@aec.org.sy
_publ_contact_author_fax         +963-11-6112289
_publ_contact_author_name        'M. M. Al-Ktaifani'
_publ_contact_author_phone       +963-11-2132580
_publ_section_title
;
 Synthesis and Solid State Characterization of Organometallic Polymer of
 Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand
;
_journal_coden_Cambridge         456
_journal_name_full               Pol.J.Chem.
_journal_page_first              547
_journal_page_last               557
_journal_volume                  82
_journal_year                    2008
_chemical_formula_moiety         'C7 H10 Ag Cl N2'
_chemical_formula_sum            'C7 H10 Ag Cl N2'
_chemical_formula_weight         265.49
_chemical_name_systematic
' Silver(I) complex of 2,2-Dimethyl-1,3-Diisocyano Propane'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   16.33228(18)
_cell_length_b                   16.2155(3)
_cell_length_c                   7.24228(9)
_cell_measurement_temperature    295
_cell_volume                     1918.02(5)
_computing_data_collection       WinXPOW
_computing_molecular_graphics    ORTEP
_computing_publication_material  FULLPROF
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_ambient_temperature      295
_diffrn_detector                 'linear PSD'
_diffrn_detector_type            'Stoe transmission STADI P'
_diffrn_measurement_device_type  'transmission geometry (horizontal set-up)'
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54060
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              C-Tech
_exptl_absorpt_coefficient_mu    18.945
_exptl_absorpt_process_details
; FullProf Absorption/surface roughness correction
No correction is applied ?.
;
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_F_000             1040
_pd_calc_method                  ' Rietveld Refinement'
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.010000
_pd_meas_2theta_range_max        99.99000
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        9500
_pd_meas_scan_method             cont
_pd_proc_ls_background_function  ' FullProf Background function number'
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_profile_function
;
;
_pd_proc_ls_prof_R_factor        3.0100
_pd_proc_ls_prof_wR_expected     2.0911
_pd_proc_ls_prof_wR_factor       3.8635
_pd_spec_mounting
;
drifted powder on two foils of Mylar
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              7.0
_pd_spec_size_equat              7.0
_pd_spec_size_thick              0.1
_refine_ls_goodness_of_fit_all   1.85
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1026
_refine_ls_number_restraints     17
_refine_ls_R_I_factor            2.9758
_cod_data_source_file            665676.cif
_cod_data_source_block           Ag(C7H10N2)Cl
_cod_depositor_comments
;
 Changing the _atom_site_label data item values to match the ones in
 the related data items (e. g. _geom_angle_atom_site_label_*).

 Antanas Vaitkus,
 2017-01-11

 Changing the _atom_type_symbol and _atom_site_type_symbol data
 item values to match each other.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_diffrn_radiation_probe' tag value 'x-rays' was replaced with
'x-ray' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1918.01(4)
_cod_original_sg_symbol_H-M      'P B C A'
_cod_database_code               1500040
_pd_proc_ls_prof_cr_factor       8.0553
_pd_proc_ls_prof_cwr_factor      7.8356
_pd_proc_ls_prof_cwr_expected    4.2409
_pd_proc_ls_prof_chi2            3.4137
_pd_proc_ls_prof_echi2           3.4738