Multiple linker half-squarylium dyes for dye-sensitized solar cells; are two linkers better than one?
Connell, Arthur; Holliman, Peter J.; Jones, Eurig W.; Furnell, Leo; Kershaw, Christopher; Davies, Matthew L.; Gwenin, Christopher D.; Pitak, Mateusz B.; Coles, Simon J.; Cooke, Graeme; Journal of Materials Chemistry A 3 (2015) 2883–; doi:10.1039/C4TA06896C

data_7235851
_publ_section_title
;
 Multiple linker half-squarylium dyes for dye-sensitized solar cells; are
 two linkers better than one?
;
_journal_issue                   6
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              2883
_journal_paper_doi               10.1039/C4TA06896C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C30 H41 N O5'
_chemical_formula_sum            'C30 H41 N O5'
_chemical_formula_weight         495.64
_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2014-10-22 deposited with the CCDC.
2014-12-19 downloaded from the CCDC.
;
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_cell_angle_gamma                74.709(9)
_cell_formula_units_Z            4
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'WinGX, ver.2013.3 (L.J. Farrugia, J.App.Cryst.(2012),45,849-854)'
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_computing_structure_solution
'SUPERFLIP (Palatinus, L. & Chapuis, G. (2007). J. Appl. Cryst. 40, 786-790)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device
;
AFC12 (Right): Kappa 3 circle
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;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from \w-scans'
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_diffrn_reflns_av_R_equivalents  0.1004
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_diffrn_source                   'Rotating Anode'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1072
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_refine_diff_density_max         0.446
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.886
_refine_ls_R_factor_all          0.1022
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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^)+(0.0760P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4ta06896c2.cif
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_cod_database_code               7235851
_shelx_estimated_absorpt_t_min   0.987
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_shelxl_version_number           2013-3
_shelx_res_checksum              9849
_shelx_hkl_checksum              79606