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_7034265
_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         'C37 H46 Li N2 O5 V, C2 H3 N'
_chemical_formula_sum            'C39 H49 Li N3 O5 V'
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2014-10-07 deposited with the CCDC.
2015-03-03 downloaded from the CCDC.
;
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;
CrystalClear-SM Expert 3.1 b10 (Rigaku, 20112)
;
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;
CrystalClear-SM Expert 3.1 b10 (Rigaku, 20112)
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;
CrystalClear-SM Expert 3.1 b10 (Rigaku, 20112)
;
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;
AFC12 (Right): Kappa 3 circle
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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_R_factor_all          0.1180
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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^)+(0.0956P)^2^+1.7325P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1815
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_reflns_number_gt                4354
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00376h2.cif
_cod_data_source_block           3.2MeCN
_cod_depositor_comments
;Adding full bibliography for 7034263--7034265.cif.

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1925.9(2)
_cod_database_code               7034265
_shelx_estimated_absorpt_t_min   0.973
_shelx_estimated_absorpt_t_max   0.997
_diffrn_reflns_sigmai/neti       0.1097
_shelxl_version_number           2012-4