Chiral tectonics toward square planar tetranuclear Pd(ii) complexes: propagation of axial chirality through a long molecular axis.
Goto, Yutaro; Watanabe, Yutaka; Noboriguchi, Aoki; Yoshida, Jun; Mori, Shigeki; Sato, Hisako; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10138–10144; doi:10.1039/c9dt01913h

data_7700133
_publ_section_title
;
 Chiral tectonics toward square planar tetranuclear Pd(ii) complexes:
 propagation of axial chirality through a long molecular axis.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10138
_journal_page_last               10144
_journal_paper_doi               10.1039/c9dt01913h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C64 H66 O16 Pd4, 2(C7 H8)'
_chemical_formula_sum            'C78 H82 O16 Pd4'
_chemical_formula_weight         1701.03
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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-2018/3
_audit_update_record
;
2019-04-15 deposited with the CCDC.    2019-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                104.707(2)
_cell_angle_beta                 100.001(2)
_cell_angle_gamma                108.914(2)
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_cell_length_b                   14.8370(3)
_cell_length_c                   19.9949(4)
_cell_measurement_reflns_used    27569
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.23
_cell_measurement_theta_min      1.74
_cell_volume                     3629.76(16)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3.1 (Rigaku, 2018)'
_computing_publication_material  'CrystalStructure 4.3.1 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Varimax with Saturn'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0632
_diffrn_reflns_av_unetI/netI     0.0696
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            62108
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
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_diffrn_source                   'rotating anode X-ray generator'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1724
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.010
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_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         17525
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_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+4.6901P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.1026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12506
_reflns_number_total             17525
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7700133--7700134.cif.'
_cod_original_cell_volume        3629.76(14)
_cod_database_code               7700133
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.766
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              97342