Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials
Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.; Chemistry of Materials 28 (2016) 368–; doi:10.1021/acs.chemmater.5b04306

data_4002645
_publ_section_title
;
 Multicomponent Metal--Organic Frameworks as Defect-Tolerant Materials
;
_journal_issue                   1
_journal_name_full               'Chemistry of Materials'
_journal_page_first              368
_journal_paper_doi               10.1021/acs.chemmater.5b04306
_journal_volume                  28
_journal_year                    2016
_chemical_formula_sum            'C60 H43 N6 O14 Zn3'
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_chemical_name_systematic
;
 ?
;
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_atom_sites_solution_hydrogens   mixed
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_computing_cell_refinement       'FSProcess in Process-Auto (Rigaku, 1998)'
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_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Spider'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_av_R_equivalents  0.0576
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_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_point_group_measured_fraction_full 0.543
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_diffrn_source                   'Rigaku MM007 rotating anode'
_exptl_absorpt_coefficient_mu    1.173
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_exptl_absorpt_correction_T_min  0.524510
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    0.835
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
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_exptl_crystal_size_max          0.658
_exptl_crystal_size_mid          0.246
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.878
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_refine_ls_number_reflns         9926
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0779
_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^)+(0.1724P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2361
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6673
_reflns_number_total             9926
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           MUF-21
_cod_depositor_comments
'Adding full bibliography for 4002645--4002648.cif.'
_cod_original_cell_volume        5044.8(4)
_cod_database_code               4002645
_shelxl_version_number           2013-2
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