Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven by Substituted Glutarate and Malonate Building Blocks: Self-Assembly Synthesis, Structural Features, and Antimicrobial Properties.
Jaros, Sabina W.; Guedes da Silva, M Fátima C; Florek, Magdalena; Smoleński, Piotr; Pombeiro, Armando J. L.; Kirillov, Alexander M.; Inorganic chemistry 55 (2016) 5886–5894; doi:10.1021/acs.inorgchem.6b00186

data_4347461
_publ_section_title
;
 Silver(I) 1,3,5-Triaza-7-phosphaadamantane Coordination Polymers Driven
 by Substituted Glutarate and Malonate Building Blocks: Self-Assembly
 Synthesis, Structural Features, and Antimicrobial Properties.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5886
_journal_page_last               5894
_journal_paper_doi               10.1021/acs.inorgchem.6b00186
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C30 H42 Ag2 N6 O10 P2'
_chemical_formula_sum            'C30 H42 Ag2 N6 O10 P2'
_chemical_formula_weight         924.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 115.066(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.425(2)
_cell_length_b                   31.106(7)
_cell_length_c                   11.865(3)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.94
_cell_measurement_theta_min      2.28
_cell_volume                     3485.2(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0692
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       -49
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            106133
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         34.711
_diffrn_reflns_theta_min         2.254
_exptl_absorpt_coefficient_mu    1.280
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.948
_refine_diff_density_min         -0.846
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         14969
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0259P)^2^+2.5358P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0770
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12045
_reflns_number_total             14969
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b00186_si_001.cif
_cod_data_source_block           JAR389N3
_cod_original_cell_volume        3485.4(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4347461
_shelx_estimated_absorpt_t_min   0.821
_shelx_estimated_absorpt_t_max   0.862
_shelxl_version_number           2013-4
_shelx_res_checksum              85522
_shelx_hkl_checksum              94119