η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.
Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro; Journal of the American Chemical Society 137 (2015) 1356–1361; doi:10.1021/ja512271p

data_4123323
_publ_section_title
;
 \h(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis,
 Structure, Photophysical Properties, and Application to the Selective
 Monofunctionalization of Cycloparaphenylenes.
;
_journal_issue                   3
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1356
_journal_page_last               1361
_journal_paper_doi               10.1021/ja512271p
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C65 H60 O2 Si'
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_chemical_name_systematic
; 
 ? 
;
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_computing_cell_refinement       'RIGAKU CrystalClear'
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_computing_molecular_graphics    ORTEP-III
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_diffrn_ambient_temperature      103(2)
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_diffrn_measurement_device_type
;
PILATUS 200K with MicroMax-007
;
_diffrn_measurement_method       'profile data from \w-scans'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.124
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             1920
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4452
_refine_ls_wR_factor_ref         0.4715
_reflns_number_gt                10783
_reflns_number_total             18698
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja512271p_si_002.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4123323