Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?
Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.; New Journal of Chemistry 42 (2018) 6408–; doi:10.1039/C8NJ00494C

data_7057150
_publ_section_title
;
 Exploring the multifunctionality in metal--organic framework materials:
 how do the stilbenedicarboxylate and imidazolyl ligands tune the
 characteristics of coordination polymers?
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              6408
_journal_paper_doi               10.1039/C8NJ00494C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C59 H63 Cd2 N9 O9'
_chemical_formula_weight         1266.98
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_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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;
2017-11-10 deposited with the CCDC.
2018-03-09 downloaded from the CCDC.
;
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_diffrn_measured_fraction_theta_full 0.995
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_diffrn_radiation_source         'fine-focus sealed tube'
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;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.50(7)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0592P)^2^+71.9250P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
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_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                9566
_reflns_number_total             11071
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c8nj00494c2.cif
_cod_data_source_block           cdim6
_cod_depositor_comments
'Adding full bibliography for 7057145--7057150.cif.'
_cod_database_code               7057150
_shelx_shelxl_version_number     2014/7
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