An unusual 1D ladder-like silver(i) coordination polymer involving novel 1D →3D five-folded interpenetrated and [3 + 2] catenaned features generated by Ag⋯O interactions
Yang, Guo-Ping; Zhou, Jun-Hong; Wang, Yao-Yu; Liu, Ping; Shi, Chun-Cheng; Fu, Ai-Yun; Shi, Qi-Zhen; CrystEngComm 13 (2011) 33–; doi:10.1039/c0ce00601g

data_7205475
_publ_section_title
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 An unusual 1D ladder-like silver(i) coordination polymer involving
 novel 1D \\rightarrow 3D five-folded interpenetrated and [3 + 2]
 catenaned features generated by Ag&#x22EF;O interactions
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_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              33
_journal_paper_doi               10.1039/c0ce00601g
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C45 H36 Ag3 N6 O6, 5(H2O)'
_chemical_formula_sum            'C45 H46 Ag3 N6 O11'
_chemical_formula_weight         1170.49
_chemical_name_systematic
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?
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_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                 120.120(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   39.052(6)
_cell_length_b                   9.8693(13)
_cell_length_c                   26.197(4)
_cell_measurement_reflns_used    3765
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.141
_cell_measurement_theta_min      2.412
_cell_volume                     8733(2)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    APEX2
_computing_publication_material  APEX2
_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  'Bruker APEX SMART II'
_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  0.0587
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            21186
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.402
_exptl_absorpt_correction_T_max  0.8842
_exptl_absorpt_correction_T_min  0.7865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4696
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.083
_refine_diff_density_min         -1.790
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         7687
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1255
_refine_ls_R_factor_gt           0.0678
_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^)+(0.1370P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1953
_refine_ls_wR_factor_ref         0.2236
_reflns_number_gt                4410
_reflns_number_total             7687
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00601G.TXT
_cod_data_source_block           1
_cod_depositor_comments
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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 1555 2011-01-17 13:19:09Z saulius 
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_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7205475