SFX as a low-cost ‘Spiro’ hole-transport material for efficient perovskite solar cells
Maciejczyk, Michal; Ivaturi, Aruna; Robertson, Neil; Journal of Materials Chemistry A 4 (2016) 4855–; doi:10.1039/C6TA00110F

data_7236292
_publ_section_title
;
 &#x000D; SFX as a low-cost &#x2018;Spiro&#x2019; hole-transport material
 for efficient perovskite solar cells
;
_journal_issue                   13
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              4855
_journal_paper_doi               10.1039/C6TA00110F
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C81 H68 N4 O9'
_chemical_formula_sum            'C81 H68 N4 O9'
_chemical_formula_weight         1241.39
_chemical_melting_point          510
_chemical_name_common            SFX-MeOTAD
_chemical_name_systematic
'2, 2?, 7, 7?-Tetrakis (N, N-di(4-methoxyphenyl)amino) - spiro (fluorene-9, 9?-xanthene)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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2015-12-17 deposited with the CCDC.
2016-03-01 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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omega____ theta____ kappa____ phi______ frames
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  8 omega   36.00   91.00   1.0000   10.0000
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  9 omega   30.00  109.00   1.0000   10.0000
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 10 omega   30.00  109.00   1.0000   10.0000
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 11 omega   37.00  142.00   1.0000   10.0000
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 12 omega   39.00  121.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000    0.0000 82

 13 omega   30.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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 14 omega   31.00  156.00   1.0000   10.0000
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 16 omega   36.00   91.00   1.0000   10.0000
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    -      111.0000  -30.0000  120.0000 55

 17 omega   40.00   99.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000 -150.0000 59

 18 omega   30.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000  -30.0000 79

 19 omega   31.00  156.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -15.0000    0.0000 125

 20 omega   39.00  121.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000 -180.0000 82

 21 omega   87.00  178.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000   45.0000 -180.0000 91

 22 omega   40.00   99.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -45.0000   30.0000 59

 23 omega   30.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000   60.0000 79

 24 omega   39.00  121.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000 -150.0000 82

 25 omega   39.00  121.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000 -125.0000   30.0000 82

 26 omega   30.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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 27 omega   41.00  139.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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 28 omega   30.00  109.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  -94.0000    0.0000 79

 29 omega   36.00   91.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
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 31 omega   94.00  178.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      111.0000  125.0000   30.0000 84
;
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CrysAlisPro, Agilent Technologies,
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Numerical absorption correction based on gaussian integration over
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Empirical absorption correction using spherical harmonics,
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'w=1/[\s^2^(Fo^2^)+(0.0877P)^2^+1.2167P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           nr15010
_cod_original_cell_volume        3171.31(16)
_cod_database_code               7236292
_chemical_oxdiff_formula         'C81 H68 N4 O9'
_chemical_oxdiff_usercomment     '@ 120 K M18'
_reflns_odcompleteness_completeness 99.99
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_olex2_refinement_description
;
;
_shelx_res_checksum              47939
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_olex2_date_sample_data_collection 2015-08-20
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_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems Cryostream 700+'
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a MITIGEN holder in Paratone oil'
_olex2_submission_original_sample_id M18
_olex2_submission_special_instructions 'No special instructions were received'