Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks
Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar; Crystal Growth & Design 14 (2014) 5164–; doi:10.1021/cg500898c

data_4511933
_publ_section_title
;
 Design, Synthesis, and Photoluminescence Properties of One-, Two-, and
 Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic
 Interactions as Building Blocks
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5164
_journal_paper_doi               10.1021/cg500898c
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C44 H42 Ag2 N4 O12 S2'
_chemical_formula_weight         1098.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.401(10)
_cell_angle_beta                 101.842(9)
_cell_angle_gamma                106.290(9)
_cell_formula_units_Z            1
_cell_length_a                   8.496(3)
_cell_length_b                   11.529(4)
_cell_length_c                   12.340(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1086.7(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0911
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12913
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.066
_exptl_crystal_colour            'Deep Yellow'
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.640
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.862
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3992
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.867
_refine_ls_R_factor_all          0.1417
_refine_ls_R_factor_gt           0.0787
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1593
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                2396
_reflns_number_total             3992
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500898c_si_002.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4511930--4511934.cif.
;
_cod_original_cell_volume        1086.7(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4511933