Sequential metal ion assembly in cyclic phenylazomethine.
Higuchi, Masayoshi; Shomura, Ryo; Ohtsuka, Yuhki; Hayashi, Akari; Yamamoto, Kimihisa; Kurth, Dirk G.; Organic letters 8 (2006) 4723–4726; doi:10.1021/ol061758b

data_1506189
_publ_section_title
;
 Sequential metal ion assembly in cyclic phenylazomethine.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              4723
_journal_page_last               4726
_journal_paper_doi               10.1021/ol061758b
_journal_volume                  8
_journal_year                    2006
_chemical_formula_moiety         'C69 H51 Cl9 N4 '
_chemical_formula_sum            'C69 H51 Cl9 N4'
_chemical_formula_weight         1255.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2005-11-18
_audit_creation_method           'by CrystalStructure 3.7.0'
_cell_angle_alpha                90.0000
_cell_angle_beta                 103.915(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   14.298(3)
_cell_length_b                   9.036(2)
_cell_length_c                   24.098(6)
_cell_measurement_temperature    120.1
_cell_volume                     3022.0(12)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.585
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.077
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            23179
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.35
_exptl_absorpt_coefficient_mu    0.463
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NONE
_exptl_crystal_F_000             1292.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.67
_refine_ls_extinction_coef       0.0056(12)
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     390
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_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1104P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           CPAMe4mer
_cod_original_cell_volume        3022.2(12)
_cod_original_formula_sum        'C69 H51 Cl9 N4 '
_cod_database_code               1506189