Geometric Complementarity in Assembly and Guest Recognition of a Bent Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.
Bloch, Witold M.; Abe, Yoko; Holstein, Julian J.; Wandtke, Claudia M.; Dittrich, Birger; Clever, Guido H.; Journal of the American Chemical Society 138 (2016) 13750–; doi:10.1021/jacs.6b08694

data_4125280
_publ_section_title
;
 Geometric Complementarity in Assembly and Guest Recognition of a Bent
 Heteroleptic cis-[Pd2L(A)2L(B)2] Coordination Cage.
;
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13750
_journal_paper_doi               10.1021/jacs.6b08694
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C26 H20 N2 O2'
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_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_length_c                   10.2282(10)
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_computing_data_collection       'Bruker APEX2'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         45.443
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_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0693P)^2^+0.3775P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1366
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_reflns_number_total             16024
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4125280--4125281.cif.'
_cod_database_code               4125280
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_shelx_estimated_absorpt_t_max   0.977
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_shelx_hkl_checksum              65969