Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly Efficient and Tandem Catalytic Organic Transformations via Directed C-H Activation.
Manna, Kuntal; Zhang, Teng; Greene, Francis X.; Lin, Wenbin; Journal of the American Chemical Society 137 (2015) 2665–2673; doi:10.1021/ja512478y

data_4123442
_publ_section_title
;
 Bipyridine- and Phenanthroline-Based Metal-Organic Frameworks for Highly
 Efficient and Tandem Catalytic Organic Transformations via Directed C-H
 Activation.
;
_journal_issue                   7
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2665
_journal_page_last               2673
_journal_paper_doi               10.1021/ja512478y
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C108 H76 O32 Zr6'
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;
 ?
;
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_wavelength     0.41328
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_refine_ls_abs_structure_details
;
 Flack x determined using 1872 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.489(13)
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7004
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_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0739
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_Friedel_fraction_full    0.432
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_reflns_number_gt                4689
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 4123441--4123442.cif.'
_cod_original_cell_volume        17743(9)
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