Ag(I)-based high-energy metal organic frameworks (HE-MOFs) incorporating the coordinated moieties in channels: Synthesis, structure and physicochemical properties
Song, Xiaxia; zhang, sheng; Zhao, Guowei; Zhang, Wendou; Chen, Dongpo; Yang, Qi; Wei, Qing; Xie, Gang; Yang, Desuo; Chen, Sanping; Gao, Sheng-li; RSC Adv.  (2016) –; doi:10.1039/C6RA21132A

data_7226650
_publ_section_title
;
 Ag(I)-based high-energy metal organic frameworks (HE-MOFs) incorporating
 the coordinated moieties in channels: Synthesis, structure and
 physicochemical properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA21132A
_journal_year                    2016
_chemical_formula_sum            'C14 H15 Ag3 N26 O14'
_chemical_formula_weight         1095.13
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_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
_audit_update_record
;
2016-03-16 deposited with the CCDC.
2016-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 110.477(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.235(5)
_cell_length_b                   6.3778(15)
_cell_length_c                   25.095(6)
_cell_measurement_temperature    296(2)
_cell_volume                     3034.0(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0663
_diffrn_reflns_av_sigmaI/netI    0.0824
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            7380
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    2.032
_exptl_crystal_density_diffrn    2.397
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2136
_refine_diff_density_max         1.091
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         2726
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0522
_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^)+(0.0800P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1648
_reflns_number_gt                1765
_reflns_number_total             2726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra21132a2.cif
_cod_data_source_block           xb8866_0m
_cod_original_cell_volume        3034.0(12)
_cod_database_code               7226650