Vanadyl calix[6]arene complexes: synthesis, structural studies and ethylene homo-(co-)polymerization capability.
Redshaw, Carl; Walton, Mark; Michiue, Kenji; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Jiang, Chengying; Elsegood, Mark R. J.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12292–12303; doi:10.1039/c5dt00376h

data_7034264
_publ_section_title
;
 Vanadyl calix[6]arene complexes: synthesis, structural studies and
 ethylene homo-(co-)polymerization capability.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12292
_journal_page_last               12303
_journal_paper_doi               10.1039/c5dt00376h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'C134 H163 Li N O14 V2 1-, C8 H12 Li N4 1+, 9.67(C2 H3 N)'
_chemical_formula_sum            'C161.34 H204.02 Li2 N14.67 O14 V2'
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; 
 ? 
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
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;
2014-10-07 deposited with the CCDC.
2015-03-03 downloaded from the CCDC.
;
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CrystalClear-SM Expert 3.1 b13a (Rigaku, 20112)
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_computing_data_collection
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CrystalClear-SM Expert 3.1 b13a (Rigaku, 20112)
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CrystalClear-SM Expert 3.1 b13a (Rigaku, 20112)
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_diffrn_ambient_temperature      100(2)
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;
Rigaku Saturn724+ (2x2 bin mode)
;
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_diffrn_source                   'Rotating Anode'
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'Re-crystallisation from solvent: acetonitrile'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0604P)^2^+399.4820P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3211
_refine_ls_wR_factor_ref         0.3445
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14644
_reflns_number_total             20718
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00376h2.cif
_cod_data_source_block           2.9.67(MeCN)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 3086 2015-02-26 13:12:21Z robertas 

 Adding full bibliography for 7034263--7034265.cif.
;
_cod_original_cell_volume        31716(43)
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_shelx_estimated_absorpt_t_min   0.982
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_shelxl_version_number           2014/6
_shelx_res_checksum              15382