Coordination networks constructed with the multinuclear silver-ethynide supramolecular synthon 4-nitrophenyl-C[triple bond]C subset Ag(n) (n = 3, 4, 5).
Wang, Siegfried M. J.; Zhao, Liang; Mak, Thomas C. W.; Dalton transactions (Cambridge, England : 2003) 39 (2010) 2108–2121; doi:10.1039/b917789b

data_7024486
_publ_section_title
;
 Coordination networks constructed with the multinuclear silver-ethynide
 supramolecular synthon 4-nitrophenyl-C[triple bond]C subset Ag(n) (n = 3,
 4, 5).
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2108
_journal_page_last               2121
_journal_paper_doi               10.1039/b917789b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C36 H18 Ag7 F12 N5 O14'
_chemical_formula_sum            'C36 H18 Ag7 F12 N5 O14'
_chemical_formula_weight         1727.64
_chemical_name_common            'Compound 3'
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.404(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4567(11)
_cell_length_b                   23.258(2)
_cell_length_c                   16.2432(14)
_cell_measurement_reflns_used    499
_cell_measurement_temperature    296(2)
_cell_volume                     4697.6(7)
_computing_cell_refinement       'APEX2 Suite 2.1.4'
_computing_data_collection       'APEX2 Suite 2.1.4'
_computing_data_reduction        'APEX2 Suite 2.1.4'
_computing_molecular_graphics    'APEX2 Suite 2.1.4'
_computing_publication_material  'APEX2 Suite 2.1.4'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Kappa Duo APEX2 CCD'
_diffrn_measurement_method       'Omega scan and Phi 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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0090
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            164974
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    2.973
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.723464
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3272
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.37
_refine_diff_density_max         1.520
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       0.00097(4)
_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_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     693
_refine_ls_number_reflns         8282
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+15.9524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                6579
_reflns_number_total             8282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917789b.txt
_cod_data_source_block           729720
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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        4697.7(7)
_cod_original_sg_symbol_H-M      'P2(1)/n '
_cod_database_code               7024486