The CVD of silver selenide films from dichalcogenophosphinato and imidodichalcogenodiphosphinatosilver(I) single-source precursors
Panneerselvam, Arunkumar; Nguyen, Chinh Q.; Malik, Mohammad A.; O'Brien, Paul; Raftery, James; Journal of Materials Chemistry 19 (2009) 419–; doi:10.1039/b812074a

data_7200272
_publ_section_title
;
 The CVD of silver selenide films from dichalcogenophosphinato and
 imidodichalcogenodiphosphinatosilver(I) single-source precursors
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              419
_journal_paper_doi               10.1039/b812074a
_journal_volume                  19
_journal_year                    2009
_chemical_formula_sum            'C43 H92 Ag3 N3 P6 S3 Se3'
_chemical_formula_weight         1493.69
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.657(2)
_cell_angle_beta                 91.134(2)
_cell_angle_gamma                90.768(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4966(10)
_cell_length_b                   16.6904(19)
_cell_length_c                   21.628(3)
_cell_measurement_reflns_used    3360
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.7195
_cell_measurement_theta_min      2.2315
_cell_volume                     3066.0(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0857
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26839
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    3.019
_exptl_absorpt_correction_T_max  0.9149
_exptl_absorpt_correction_T_min  0.4645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.618
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.521
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         13971
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0685
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+11.7669P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1454
_reflns_number_gt                10509
_reflns_number_total             13971
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812074a.txt
_cod_data_source_block           s2860na
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        3066.0(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200272