Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing Coordinatively-Bound Cargo Enables Molecular Separation.
Grancha, Thais; Carne-Sanchez, Arnau; Hernández-López, Laura; Albalad, Jorge; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel; Journal of the American Chemical Society  (2019) –; doi:10.1021/jacs.9b10403

data_4129073
_publ_section_title
;
 Phase Transfer of Rhodium(II)-Based Metal-Organic Polyhedra Bearing
 Coordinatively-Bound Cargo Enables Molecular Separation.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b10403
_journal_year                    2019
_chemical_formula_moiety         'C63 H36 N6 O33 Rh6'
_chemical_formula_sum            'C63 H36 N6 O33 Rh6'
_chemical_formula_weight         2022.44
_space_group_crystal_system      tetragonal
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_space_group_name_Hall           '-I 4'
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_cell_measurement_temperature    100(2)
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_computing_structure_solution    'SHELXT2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'PILATUS DECTRIS'
_diffrn_measurement_method       'profile data from \fi-scans'
_diffrn_radiation_type           synchrotron
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_diffrn_reflns_av_unetI/netI     0.0218
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_diffrn_reflns_limit_l_min       -40
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_diffrn_reflns_theta_min         2.132
_diffrn_source                   synchrotron
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    0.746
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_exptl_crystal_size_max          0.04
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
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_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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3583
_refine_ls_wR_factor_ref         0.3806
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8436
_reflns_number_total             9449
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b10403_si_004.cif
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