Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains
Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong; CrystEngComm 11 (2009) 1006–; doi:10.1039/b823457d

data_7200882
_publ_section_title
;
 Metal-directed assembly of two 2-D 4d--4f coordination polymers based
 on elliptical triple-deck cylinders hinged by meso-double helical
 chains
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1006
_journal_paper_doi               10.1039/b823457d
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C48 H52 Ag4 N8 O26 Sm2, 2(N O3), 4(H2 O)'
_chemical_formula_sum            'C48 H60 Ag4 N10 O36 Sm2'
_chemical_formula_weight         2085.24
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.189(13)
_cell_angle_beta                 92.502(15)
_cell_angle_gamma                100.548(12)
_cell_formula_units_Z            1
_cell_length_a                   7.5461(15)
_cell_length_b                   13.0618(8)
_cell_length_c                   17.320(5)
_cell_measurement_reflns_used    3216
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.67
_cell_measurement_theta_min      2.31
_cell_volume                     1661.2(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detectorr'
_diffrn_measurement_method       'phi and omga scan'
_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  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            9369
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    2.998
_exptl_absorpt_correction_T_max  0.6011
_exptl_absorpt_correction_T_min  0.5117
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1018
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.367
_refine_diff_density_min         -1.854
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         7628
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0584P)^2^+4.4590P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                5754
_reflns_number_total             7628
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b823457d.txt
_cod_data_source_block           compound_3a
_cod_original_cell_volume        1661.5(6)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7200882