A comparative study of Ir(iii) complexes with pyrazino[2,3-f][1,10]phenanthroline and pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting electrochemical cells (LECs).
González, Iván; Dreyse, Paulina; Cortés-Arriagada, Diego; Sundararajan, Mahesh; Morgado, Claudio; Brito, Iván; Roldán-Carmona, Cristina; Bolink, Henk J.; Loeb, Bárbara; Dalton transactions (Cambridge, England : 2003) 44 (2015) 14771–14781; doi:10.1039/c5dt01385b

data_7035776
_publ_section_title
;
 A comparative study of Ir(iii) complexes with
 pyrazino[2,3-f][1,10]phenanthroline and
 pyrazino[2,3-f][4,7]phenanthroline ligands in light-emitting
 electrochemical cells (LECs).
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14771
_journal_page_last               14781
_journal_paper_doi               10.1039/c5dt01385b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C36 H20 F4 Ir N6, F6 P'
_chemical_formula_sum            'C36 H20 F10 Ir N6 P'
_chemical_formula_weight         949.75
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-03-24 deposited with the CCDC.
2015-07-14 downloaded from the CCDC.
;
_cell_angle_alpha                71.872(5)
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_cell_volume                     1700.5(2)
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_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 2008)'
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_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_laue_measured_fraction_full 0.997
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.987
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_diffrn_reflns_theta_max         25.644
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_exptl_crystal_description       plate
_exptl_crystal_F_000             920
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
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_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+0.1646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5863
_reflns_number_total             6358
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt01385b2.cif
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_cod_depositor_comments
'Adding full bibliography for 7035776--7035777.cif.'
_cod_database_code               7035776
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_shelx_estimated_absorpt_t_max   0.764
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