Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.
Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai; Journal of the American Chemical Society 137 (2015) 3177–3180; doi:10.1021/ja512762r

data_4123487
_publ_section_title
;
 Sequential linker installation: precise placement of functional groups in
 multivariate metal-organic frameworks.
;
_journal_issue                   9
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3177
_journal_page_last               3180
_journal_paper_doi               10.1021/ja512762r
_journal_volume                  137
_journal_year                    2015
_chemical_formula_moiety         '[Zr6O4(OH)4] [(C16 H12 O4)4] [O4(OH)4]'
_chemical_formula_sum            'C64 H56 O32 Zr6'
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_chemical_name_systematic
; 
 ? 
;
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            Colorless
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_exptl_crystal_density_meas      ?
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_platon_squeeze_details
;
;
_refine_diff_density_max         0.544
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         4753
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0644
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+9.2000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0910
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_reflns_number_gt                3542
_reflns_number_total             4753
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512762r_si_002.cif
_cod_data_source_block           aaa_pcn700_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 4123486--4123490.cif.
;
_cod_original_sg_symbol_H-M      P4(2)/mmc
_cod_database_code               4123487