Tetrakis(μ~2~-1,8-naphthyridine)-1:2κ^4^<i>N</i>:<i>N</i>';3:4κ^4^<i>N</i>:<i>N</i>'-bis(μ~2~-salicylato)-1:4κ^2^<i>O</i>:<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>'-tetrakis(salicylic acid)-1κ<i>O</i>,2κ<i>O</i>,3κ<i>O</i>,4κ<i>O</i>-tetrasilver(I)(4<i>Ag{—</i>Ag})
Wang, Yue; Okabe, Nobuo; Acta Crystallographica Section C 61 (2005) m263–m265; doi:10.1107/S0108270105010498

data_2014805
_publ_section_title
;Tetrakis(\m~2~-1,8-naphthyridine)-1:2\k^4^<i>N</i>:<i>N</i>';3:4\k^4^<i>N</i>:<i>N</i>'-bis(\m~2~-salicylato)-1:4\k^2^<i>O</i>:<i>O</i>';2:3\k^2^<i>O</i>:<i>O</i>'-tetrakis(salicylic
 acid)-1\k<i>O</i>,2\k<i>O</i>,3\k<i>O</i>,4\k<i>O</i>-tetrasilver(I)(4<i>Ag{---</i>Ag})
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m263
_journal_page_last               m265
_journal_paper_doi               10.1107/S0108270105010498
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Ag4 (C7 H5 O3)4 (C7 H6 O3)2 (C8 H6 N2)4]'
_chemical_formula_moiety         'C74 H56 Ag4 N8 O18'
_chemical_formula_sum            'C74 H56 Ag4 N8 O18'
_chemical_formula_weight         1776.75
_chemical_name_systematic
;
Tetrakis(\m~2~-1,8-naphthyridine-1:2\k^2^N:N';3:4\k^2^N:N')-
bis(\m~2~-salicylato-1:4\k^2^O:O';2:3\k^2^O:O')-
tetrakis(salicylato-1\kO;2\kO;3\kO;4\kO)tetrasilver(I)(4 Ag---Ag)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.26(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.205(12)
_cell_length_b                   13.129(10)
_cell_length_c                   25.82(2)
_cell_measurement_reflns_used    21592
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3414(5)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 2003)'
_computing_data_reduction
;
CrystalStructure (Rigaku/MSC, 2004) and CRYSTALS (Watkin <i>et al.</i>,
1996)
;
_computing_molecular_graphics
'ORTEPIII (Farrugia, 1997) and PLATON (Spek, 2003)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
;
SIR97 (Altomare <i>et al.</i>, 1999) and DIRDIF99 (Beurskens <i>et
al.</i>,  1999)
;
_diffrn_ambient_temperature      296.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            32278
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    1.211
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1776.0
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.464
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.803
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7793
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.803
_refine_ls_R_factor_all          0.0500
_refine_ls_R_factor_gt           0.0267
_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^)+(0.0275P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0538
_reflns_number_gt                4718
_reflns_number_total             7793
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fg1829.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2014805
_cod_database_fobs_code          2014805