Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order NLO building blocks for long lasting highly active SHG polymeric films.
Senthilkumar, Kabali; Thirumoorthy, Krishnan; Dragonetti, Claudia; Marinotto, Daniele; Righetto, Stefania; Colombo, Alessia; Haukka, Matti; Palanisami, Nallasamy; Dalton transactions (Cambridge, England : 2003) 45 (2016) 11939–11943; doi:10.1039/c6dt01590e

data_7039761
_publ_section_title
;
 Ferrocene-quinoxaline Y-shaped chromophores as fascinating second-order
 NLO building blocks for long lasting highly active SHG polymeric films.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11939
_journal_page_last               11943
_journal_paper_doi               10.1039/c6dt01590e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C33 H25 F3 Fe2 N2'
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_audit_update_record
;
2015-12-03 deposited with the CCDC.
2016-07-01 downloaded from the CCDC.
;
_cell_angle_alpha                82.439(8)
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_cell_angle_gamma                73.278(8)
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_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.91
_cell_volume                     1306.6(3)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
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_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_diffrn_radiation_monochromator  graphite
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_exptl_crystal_colour            brown
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_exptl_crystal_size_max          0.300
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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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^)+(0.0290P)^2^+33.8841P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2791
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_reflns_Friedel_coverage         0.000
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_reflns_number_total             20285
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt01590e2.cif
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_cod_depositor_comments
'Adding full bibliography for 7039760--7039761.cif.'
_cod_database_code               7039761
_shelx_shelxl_version_number     2014/7
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