Synthesis and structure of a series of new luminescent Ag‒Ln coordination polymers and the influence of the introduction of an Ag(i) ion on NIR luminescence from the Ln(iii) centre
Jin, Jing; Niu, Shuyun; Han, Qian; Chi, Yuxian; New Journal of Chemistry 34 (2010) 1176–; doi:10.1039/b9nj00565j

data_7053373
_publ_section_title
;
 Synthesis and structure of a series of new luminescent Ag--Ln
 coordination polymers and the influence of the introduction of an Ag(i)
 ion on NIR luminescence from the Ln(iii) centre
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1176
_journal_paper_doi               10.1039/b9nj00565j
_journal_volume                  34
_journal_year                    2010
_chemical_formula_sum            'C32 H16 Ag5 Er O16'
_chemical_formula_weight         1363.06
_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                63.69(3)
_cell_angle_beta                 81.53(3)
_cell_angle_gamma                81.41(3)
_cell_formula_units_Z            2
_cell_length_a                   7.8516(16)
_cell_length_b                   14.938(3)
_cell_length_c                   15.208(3)
_cell_measurement_reflns_used    10667
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.98
_cell_measurement_theta_min      6.00
_cell_volume                     1574.4(7)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'omega scan'
_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  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0834
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12942
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    5.767
_exptl_absorpt_correction_T_max  0.7733
_exptl_absorpt_correction_T_min  0.5695
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    2.875
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1278
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.841
_refine_diff_density_min         -1.765
_refine_diff_density_rms         0.345
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         5829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1084P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1652
_refine_ls_wR_factor_ref         0.1843
_reflns_number_gt                4336
_reflns_number_total             5829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b9nj00565j.txt
_cod_data_source_block           h07327
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1574.3(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053373