Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates
Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie; Journal of Materials Chemistry 13 (2003) 563–; doi:10.1039/b210085c

data_7204544
_publ_section_title
;
 Aerosol-assisted chemical vapour deposition of silver films from
 adducts of functionalised silver carboxylates
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              563
_journal_paper_doi               10.1039/b210085c
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'C39 H32 Ag N O2 P2'
_chemical_formula_weight         716.47
_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
_cell_angle_alpha                65.160(10)
_cell_angle_beta                 61.89(2)
_cell_angle_gamma                72.21(2)
_cell_formula_units_Z            2
_cell_length_a                   12.689(3)
_cell_length_b                   12.850(2)
_cell_length_c                   13.351(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1726.7(7)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0097
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5692
_diffrn_reflns_theta_max         23.93
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_F_000             732
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.222
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       0.0075(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.920
_refine_ls_goodness_of_fit_obs   0.892
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         5415
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_restrained_S_obs      0.892
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_obs          0.0249
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0447P)^2^+1.1845P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0724
_refine_ls_wR_factor_obs         0.0639
_reflns_number_observed          4589
_reflns_number_total             5418
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b210085c.txt
_cod_data_source_block           96dae1
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0447P)^2^+1.1845P] where P=(Fo^2^+2Fc^2^)/3' 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^2^)+(0.0447P)^2^+1.1845P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1726.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7204544