A non-interpenetrating 2D coordination polymer from a (CH2)8 spacer-based highly flexible linear ligand and AgCF3CO2Electronic supplementary information (ESI) available: 1H NMR spectra and data for C8TQ and complex 1 and the 3-D structure of complex 1. See http://www.rsc.org/suppdata/nj/b3/b301777j
Chen, Chun-Long; Su, Cheng-Yong; Cai, Yue-Peng; Zhang, Hua-Xin; Xu, An-Wu; Kang, Bei-Sheng; New Journal of Chemistry 27 (2003) 790–; doi:10.1039/b301777j

data_7050576
_publ_section_title
;
 A non-interpenetrating 2D coordination polymer from a (CH2)8
 spacer-based highly flexible linear ligand and AgCF3CO2Electronic
 supplementary information (ESI) available: 1H NMR spectra and data for
 C8TQ and complex 1 and the 3-D structure of complex 1. See
 http://www.rsc.org/suppdata/nj/b3/b301777j
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              790
_journal_paper_doi               10.1039/b301777j
_journal_volume                  27
_journal_year                    2003
_chemical_formula_sum            'C15 H14 Ag F3 N O2 S'
_chemical_formula_weight         437.20
_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                 100.736(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.888(6)
_cell_length_b                   7.870(4)
_cell_length_c                   17.378(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1597.4(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9516
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.430
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.837
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3472
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.059
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0655P)^2^+2.1002P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1295
_reflns_number_gt                2666
_reflns_number_total             3472
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b301777j.txt
_cod_data_source_block           07011m
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7050576