Aluminium complexes of N2O2-type dipyrrins: the first hetero-multinuclear complexes of metallo-dipyrrins with high fluorescence quantum yields.
Ikeda, Chusaku; Ueda, Satoko; Nabeshima, Tatsuya; Chemical communications (Cambridge, England) 34 (2009) 2544–2546; doi:10.1039/b820141b

data_7104375
_publ_section_title
;
 Aluminium complexes of N2O2-type dipyrrins: the first
 hetero-multinuclear complexes of metallo-dipyrrins with high
 fluorescence quantum yields.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2544
_journal_page_last               2546
_journal_paper_doi               10.1039/b820141b
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C63 H55 Al2 Cl3 N4 O12 Zn'
_chemical_formula_weight         1285.79
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                70.594(2)
_cell_angle_beta                 89.998(2)
_cell_angle_gamma                87.1542(18)
_cell_formula_units_Z            2
_cell_length_a                   11.2352(7)
_cell_length_b                   14.0083(10)
_cell_length_c                   19.4195(13)
_cell_measurement_temperature    120(2)
_cell_volume                     2878.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1202
_diffrn_reflns_av_sigmaI/netI    0.1728
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28385
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.666
_exptl_absorpt_correction_T_max  0.9868
_exptl_absorpt_correction_T_min  0.8784
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.096
_refine_diff_density_min         -1.409
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     777
_refine_ls_number_reflns         12999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.1942
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0634P)^2^+4.9557P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1492
_refine_ls_wR_factor_ref         0.2200
_reflns_number_gt                5850
_reflns_number_total             12999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820141b.txt
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104375