Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.
Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 11984–11996; doi:10.1039/c5dt01529d

data_7035300
_publ_section_title
;
 Photophysical tuning of the aggregation-induced emission of a series of
 para-substituted aryl bis(imino)acenaphthene zinc complexes.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11984
_journal_page_last               11996
_journal_paper_doi               10.1039/c5dt01529d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C26 H14 Cl2 F6 N2 O2 Zn, C H2 Cl2'
_chemical_formula_sum            'C27 H16 Cl4 F6 N2 O2 Zn'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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;
2015-04-22 deposited with the CCDC.
2015-06-02 downloaded from the CCDC.
;
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
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_computing_structure_solution
;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Agilent SuperNova with AtlasS2 detector'
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
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
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1204P)^2^+14.1177P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2289
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_reflns_number_gt                13336
_reflns_number_total             17297
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01529d2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
Adding full bibliography for 7035288--7035302.cif.

2017-03-09
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C54 H32 Cl8 F12 N4 O4 Zn2'
_cod_original_formula_weight         1443.17
_cod_original_formula_units_Z            2
_cod_database_code               7035300
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              23884