Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers
Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi; Crystal Growth & Design 5 (2005) 661–; doi:10.1021/cg049833h

data_4505034
_publ_section_title
;
 Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and
 Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers
;
_journal_issue                   2
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              661
_journal_paper_doi               10.1021/cg049833h
_journal_volume                  5
_journal_year                    2005
_chemical_formula_sum            'C14 H18 Ag N5 O3'
_chemical_formula_weight         412.20
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 101.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.354(3)
_cell_length_b                   14.127(3)
_cell_length_c                   8.0576(16)
_cell_measurement_reflns_used    6749
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.04
_cell_volume                     1598.7(6)
_computing_cell_refinement       'Rapid Auto(Rigaku 2001)'
_computing_data_collection       'Rapid Auto(Rigaku 2001)'
_computing_data_reduction        'Rapid Auto(Rigaku 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Raxis Rapid IP'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1823
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  1.1908
_exptl_absorpt_correction_T_min  0.5510
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   abscore
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.158
_exptl_crystal_size_min          0.139
_refine_diff_density_max         1.126
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.155
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.13(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1823
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0626P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                1665
_reflns_number_total             1823
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg049833hsi20040523_095753.cif
_cod_data_source_block           a
_cod_original_cell_volume        1598.8(6)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4505034