Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime.
Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian; Dalton transactions (Cambridge, England : 2003) 48 (2019) 9916–9919; doi:10.1039/c9dt02032b

data_1551222
_publ_section_title
;
 Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>}
 building blocks stabilized by dimethylglyoxime.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9916
_journal_page_last               9919
_journal_paper_doi               10.1039/c9dt02032b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C96 H198 N4 O46 Ti12'
_chemical_formula_sum            'C96 H198 N4 O46 Ti12'
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_space_group_name_Hall           '-P 1'
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;
2019-05-29 deposited with the CCDC.    2019-06-04 downloaded from the CCDC.
;
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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            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1910P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3081
_refine_ls_wR_factor_ref         0.3594
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6247
_reflns_number_total             11911
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02032b2.cif
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_cod_depositor_comments
'Adding full bibliography for 1551215--1551222.cif.'
_cod_database_code               1551222
_oxdiff_exptl_absorpt_empirical_full_min 0.599
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_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelxl_version_number           2014-3
_shelx_res_checksum              53685
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