Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls
Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen; Journal of the American Chemical Society 128 (2006) 34–35; doi:10.1021/ja0567337

data_4110345
_publ_section_title
;
 Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via
 Sharing the Single-Layer Walls
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              34
_journal_page_last               35
_journal_paper_doi               10.1021/ja0567337
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C46 H54 Cd7 K3 N13 O30'
_chemical_formula_weight         2173.12
_chemical_name_common            '[Cd7(C5HN2O4)6].K3.(H2O)6.(C16H36N)'
_chemical_name_systematic
; 
 ? 
;
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_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '8.33 mm^-1^'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Brucker SMART 1000'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_correction_T_max  0.7234
_exptl_absorpt_correction_T_min  0.6137
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       'hexangular bipyramid'
_exptl_crystal_F_000             2108
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_refine_diff_density_max         3.842
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.45(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2870
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1183P)^2^+6.0351P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2452
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0567337si20051124_083837.cif
_cod_data_source_block           1
_cod_original_cell_volume        3807.7(6)
_cod_database_code               4110345