Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.
Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.; Journal of the American Chemical Society  (2020) –; doi:10.1021/jacs.0c03063

data_4134898
_publ_section_title
;
 Visible Light Driven Rotation of Molecular Motors in a Dual-Function
 Metal Organic Framework Enabled by Energy Transfer.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c03063
_journal_year                    2020
_chemical_formula_sum            'C48 H24 N6 O8 Pd Zn2'
_chemical_formula_weight         1049.87
_space_group_crystal_system      tetragonal
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_space_group_name_Hall           '-P 4 2'
_space_group_name_H-M_alt        'P 4/m m m'
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_cell_angle_beta                 90
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_cell_measurement_theta_min      2.66
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         53.386
_diffrn_reflns_theta_min         3.756
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_exptl_absorpt_correction_T_max  0.7526
_exptl_absorpt_correction_T_min  0.4869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            clear_dark_red
_exptl_crystal_density_diffrn    0.391
_exptl_crystal_description       plate
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_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1040P)^2^+7.8451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1850
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1288
_reflns_number_total             1588
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja0c03063_si_002.cif
_cod_data_source_block           cu_lp18017_0m_c_pl_sq
_cod_original_cell_volume        4463.1(6)
_cod_database_code               4134898
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_shelx_res_checksum              35365
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_shelx_fab_checksum              54054