Electrical conductivity and luminescence properties of two silver(I) coordination polymers with heterocyclic nitrogen ligands
Rana, Abhinandan; Kumar Jana, Swapan; Pal, Tanusri; Puschmann, Horst; Zangrando, Ennio; Dalai, Sudipta; Journal of Solid State Chemistry 216 (2014) 49–55; doi:10.1016/j.jssc.2014.04.026

data_1562319
_publ_section_title
;
 Electrical conductivity and luminescence properties of two silver(I)
 coordination polymers with heterocyclic nitrogen ligands
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              49
_journal_page_last               55
_journal_paper_doi               10.1016/j.jssc.2014.04.026
_journal_volume                  216
_journal_year                    2014
_chemical_formula_moiety         '(C29 H24 Ag8 N2 O28), 3(H2 O)'
_chemical_formula_sum            'C29 H34 Ag8 N2 O31'
_chemical_formula_weight         1769.54
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                96.4983(19)
_cell_angle_beta                 96.444(2)
_cell_angle_gamma                110.913(2)
_cell_formula_units_Z            1
_cell_length_a                   7.9407(2)
_cell_length_b                   10.2061(2)
_cell_length_c                   13.7769(3)
_cell_measurement_reflns_used    18215
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      29.1683
_cell_measurement_theta_min      2.7783
_cell_volume                     1022.17(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
'olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard, H. Puschmann, in preparation, 2011)'
_computing_structure_solution
'olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard, H. Puschmann, in preparation, 2011)'
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 16.1511
_diffrn_measured_fraction_theta_full 0.999254
_diffrn_measurement_details
;
  1 omega   -2.00   24.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -15.0000   18.0000 26

  2 omega  -88.00    9.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  -30.0000 97

  3 omega  -46.00   45.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000   90.0000 91

  4 omega  -46.00   14.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000 -120.0000 60

  5 omega  -84.00  -39.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -15.0000   18.0000 45

  6 omega   -8.00   19.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616   77.0000 -150.0000 27

  7 omega  -52.00   -7.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -38.0000 -180.0000 45

  8 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000 -120.0000 62

  9 omega  -90.00    8.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -38.0000 -180.0000 98

 10 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  150.0000 100

 11 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000   60.0000 62

 12 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000   30.0000 100

 13 omega  -54.00   28.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -38.0000 -120.0000 82

 14 omega  -48.00   52.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366   77.0000  -60.0000 100

 15 omega  -94.00  -32.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  179.0000    0.0000 62

 16 omega  -88.00   12.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -      -17.9366  -77.0000  -90.0000 100

 17 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000 -120.0000 101

 18 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000 -180.0000 101

 19 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000   30.0000 101

 20 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000  -60.0000 101

 21 omega  -54.00   40.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616    0.0000 -180.0000 94

 22 omega  -52.00   49.00   1.0000    8.1000
omega____ theta____ kappa____ phi______ frames
    -       18.5616  -77.0000   90.0000 101
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0816101000
_diffrn_orient_matrix_UB_12      -0.0128551000
_diffrn_orient_matrix_UB_13      -0.0025261000
_diffrn_orient_matrix_UB_21      0.0436262000
_diffrn_orient_matrix_UB_22      0.0696932000
_diffrn_orient_matrix_UB_23      -0.0101671000
_diffrn_orient_matrix_UB_31      0.0288894000
_diffrn_orient_matrix_UB_32      0.0258418000
_diffrn_orient_matrix_UB_33      0.0514776000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0448
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            36280
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         2.78
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.862
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.38 (release 10-08-2010 CrysAlis171 .NET)
(compiled Aug 10 2010,17:59:35)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.875
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             846.0
_exptl_crystal_size_max          0.1865
_exptl_crystal_size_mid          0.1024
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.247304
_refine_diff_density_min         -1.012034
_refine_diff_density_rms         0.214871
_refine_ls_d_res_high            0.727671
_refine_ls_d_res_low             7.316629
_refine_ls_goodness_of_fit_ref   1.051453
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    33
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5152
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.049599
_refine_ls_R_factor_all          0.033823
_refine_ls_R_factor_gt           0.024750
_refine_ls_shift/su_max          0.0013
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0175P)^2^+2.0117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.051347
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              13
_reflns_limit_k_min              -14
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4471
_reflns_number_total             5152
_reflns_threshold_expression     I>2u(I)
_cod_data_source_file            JSSC-2014-216-49.cif
_cod_data_source_block           2
_cod_original_cell_volume        1022.17(5)
_cod_database_code               1562319
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 0
_reflns_odcompleteness_theta     26.32