Syntheses, crystal structures and photoluminescent properties of two novel Ag(i) coordination polymers with benzoguanamine and pyrazine-carboxylate ligands: From 1D helix to 1D →2D interdigitation
Sun, Di; Hao, Hong-Jun; Liu, Fu-Jing; Su, Hai-Feng; Huang, Rong-Bin; Zheng, Lan-Sun; CrystEngComm 14 (2012) 480–; doi:10.1039/c1ce06089a

data_7207153
_publ_section_title
;
 Syntheses, crystal structures and photoluminescent properties of two
 novel Ag(i) coordination polymers with benzoguanamine and
 pyrazine-carboxylate ligands: From 1D helix to 1D \\rightarrow 2D
 interdigitation
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              480
_journal_paper_doi               10.1039/c1ce06089a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         '2(C14 H12 Ag N7 O2), H2 O'
_chemical_formula_sum            'C28 H26 Ag2 N14 O5'
_chemical_formula_weight         854.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.7130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.8597(8)
_cell_length_b                   7.2670(2)
_cell_length_c                   19.5048(8)
_cell_measurement_reflns_used    8896
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.03
_cell_measurement_theta_min      6.04
_cell_volume                     2993.96(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0341
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8120
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_T_max  0.8747
_exptl_absorpt_correction_T_min  0.8203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.450
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.195
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         2633
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.195
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0223
_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^)+(0.0376P)^2^+5.7693P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0615
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                2453
_reflns_number_total             2633
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce06089a.txt
_cod_data_source_block           p1
_cod_original_sg_symbol_H-M      c2/c
_cod_database_code               7207153