Blue and orange oxygen responsive emissions in the solid state based on copper(i) complexes bearing dodecafluorinated diphosphine and 1,10-phenanthroline derivative ligands
Washimi, Masaya; Nishikawa, Michihiro; Shimoda, Naohiro; Satokawa, Shigeo; Tsubomura, Taro; Inorganic Chemistry Frontiers 4 (2017) 639–; doi:10.1039/C6QI00577B

data_4349659
_publ_section_title
;
 Blue and orange oxygen responsive emissions in the solid state based on
 copper(i) complexes bearing dodecafluorinated diphosphine and
 1,10-phenanthroline derivative ligands
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              639
_journal_paper_doi               10.1039/C6QI00577B
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C43 H22 Cu F26 N2 O P3'
_chemical_formula_weight         1233.09
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2016-09-16T13:55:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-01-17 deposited with the CCDC.
2017-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.75(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.522(9)
_cell_length_b                   18.331(12)
_cell_length_c                   20.77(1)
_cell_measurement_reflns_used    9168
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      5.2821
_cell_volume                     4515(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device
;
        Saturn70 CCD (4x4 bin mode)
;
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0806
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40998
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         5.28
_exptl_absorpt_coefficient_mu    0.732
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.931
_refine_diff_density_min         -0.761
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     665
_refine_ls_number_reflns         9884
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_gt           0.1016
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1140P)^2^+13.6113P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2582
_reflns_number_gt                7766
_reflns_number_total             9884
_reflns_threshold_expression     >2sigma(I)
_publcif_datablock.id            {222be196-6af3-4987-b42a-30df4c7d350f}
_cod_data_source_file            c6qi00577b2.cif
_cod_data_source_block           new
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4349659