Versatile Control of Directed Supramolecular Assembly via Subtle Changes of the Rhodium(I) Pincer Building Blocks.
Chan, Alan Kwun-Wa; Ng, Maggie; Low, Kam-Hung; Yam, Vivian Wing-Wah; Journal of the American Chemical Society 140 (2018) 8321–8329; doi:10.1021/jacs.8b04687

data_4132533
_publ_section_title
;
 Versatile Control of Directed Supramolecular Assembly via Subtle Changes
 of the Rhodium(I) Pincer Building Blocks.
;
_journal_issue                   26
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8321
_journal_page_last               8329
_journal_paper_doi               10.1021/jacs.8b04687
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C23 H14 F3 N3 O Rh, C F3 O3 S'
_chemical_formula_sum            'C24 H14 F6 N3 O4 Rh S'
_chemical_formula_weight         657.35
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 101.468(2)
_cell_angle_gamma                90
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_cell_length_b                   20.1172(10)
_cell_length_c                   13.4385(6)
_cell_measurement_reflns_used    423
_cell_measurement_temperature    100(2)
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_cell_measurement_theta_min      3
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 1024
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type
;
'Bruker D8 VENTURE KAPPA goniometer PHOTON II CMOS'
;
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           GaK\a
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_diffrn_reflns_av_unetI/netI     0.0796
_diffrn_reflns_Laue_measured_fraction_full 0.983
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_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
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_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            15097
_diffrn_reflns_point_group_measured_fraction_full 0.983
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_diffrn_reflns_theta_full        52.953
_diffrn_reflns_theta_max         52.953
_diffrn_reflns_theta_min         2.941
_diffrn_source                   'Excillum MetalJet D2'
_exptl_absorpt_coefficient_mu    5.099
_exptl_absorpt_correction_T_max  0.4065
_exptl_absorpt_correction_T_min  0.2194
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5 (Sheldrick, 2014)'
_exptl_crystal_colour            red
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_exptl_crystal_description       needle
_exptl_crystal_F_000             2608
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.005
_refine_diff_density_max         1.090
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     377
_refine_ls_number_reflns         4028
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+2.2457P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1024
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2998
_reflns_number_total             4028
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b04687_si_002.cif
_cod_data_source_block           ga_CHEM0301.
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4132533
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.975
_shelx_res_checksum              28496
_shelx_hkl_checksum              39120