A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal Helical Metal Complexes.
Nakamura, Takashi; Kimura, Hikaru; Okuhara, Takashi; Yamamura, Masaki; Nabeshima, Tatsuya; Journal of the American Chemical Society 138 (2016) 794–797; doi:10.1021/jacs.5b12752

data_4130015
_publ_section_title
;
 A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal
 Helical Metal Complexes.
;
_journal_issue                   3
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              794
_journal_page_last               797
_journal_paper_doi               10.1021/jacs.5b12752
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C89 H67 F12 N11 O6 P2 Ru'
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 72.336(3)
_cell_angle_gamma                62.544(3)
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_cell_length_c                   22.163(7)
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_cell_measurement_temperature    120(2)
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_diffrn_ambient_temperature      120(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0830
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_l_min       -28
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_diffrn_reflns_theta_min         0.978
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_exptl_absorpt_correction_T_min  0.3198
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_exptl_absorpt_process_details
;    
 SADABS-2014/4 - Bruker AXS area detector scaling and absorption correction 
;
_exptl_crystal_colour            red
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_exptl_crystal_description       block
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_exptl_crystal_size_max          0.150
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_exptl_crystal_size_min          0.070
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_refine_diff_density_rms         0.115
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.1065
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2001
_refine_ls_wR_factor_ref         0.2208
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12674
_reflns_number_total             17615
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja5b12752_si_002.cif
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_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.977
_shelx_res_checksum              46724
_shelx_hkl_checksum              5028