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_7024484
_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         'C18 H7 Ag5 F12 N2 O10'
_chemical_formula_sum            'C18 H7 Ag5 F12 N2 O10'
_chemical_formula_weight         1178.61
_chemical_name_common            'Compound 1'
_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                100.291(8)
_cell_angle_beta                 91.633(10)
_cell_angle_gamma                100.111(8)
_cell_formula_units_Z            2
_cell_length_a                   10.549(5)
_cell_length_b                   11.224(5)
_cell_length_c                   12.845(6)
_cell_measurement_reflns_used    285
_cell_measurement_temperature    296(2)
_cell_volume                     1470.4(12)
_computing_cell_refinement       'BrukerAXS APEX2 Suite 2.1.4'
_computing_data_collection       'BrukerAXS APEX2 Suite 2.1.4'
_computing_data_reduction        'BrukerAXS APEX2 Suite 2.1.4'
_computing_molecular_graphics    'BrukerAXS APEX2 Suite 2.1.4'
_computing_publication_material  'BrukerAXS 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 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BrukerAXS Kappa APEX2 CCD'
_diffrn_measurement_method       'Phi scan and 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  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0106
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            77417
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    3.400
_exptl_absorpt_correction_T_max  0.3433
_exptl_absorpt_correction_T_min  0.2812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.650
_refine_diff_density_rms         0.069
_refine_ls_extinction_coef       0.0172(3)
_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   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         5775
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+2.6027P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0620
_reflns_number_gt                5306
_reflns_number_total             5775
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917789b.txt
_cod_data_source_block           729718
_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.

'_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        1470.4(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024484