Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate and d-penicillaminate regulated by a diphosphine linker.
Hanprasit, Sasikarn; Yoshinari, Nobuto; Saito, Daisuke; Kato, Masako; Konno, Takumi; Dalton transactions (Cambridge, England : 2003) 49 (2020) 3503–3509; doi:10.1039/d0dt00440e

data_7703587
_publ_section_title
;
 Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate
 and d-penicillaminate regulated by a diphosphine linker.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3503
_journal_page_last               3509
_journal_paper_doi               10.1039/d0dt00440e
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C34 H38 Au2 N2 Ni O4 P2 S2, 7[H2 O]'
_chemical_formula_sum            'C34 H52 Au2 N2 Ni O11 P2 S2'
_chemical_formula_weight         1243.48
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
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_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-02-17 deposited with the CCDC.	2020-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                106.128(8)
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_cell_angle_gamma                104.476(7)
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_cell_measurement_temperature    200(2)
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_cell_volume                     2429.8(2)
_computing_cell_refinement       'RAPID AUTO'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.1852
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_diffrn_reflns_limit_l_min       -19
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_diffrn_source                   'Rigaku FR-E SuperBright'
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_exptl_absorpt_correction_T_min  0.4634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            blue
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_exptl_crystal_description       plate
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_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.097(14)
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0785
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0733P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1672
_refine_ls_wR_factor_ref         0.1862
_reflns_Friedel_coverage         0.666
_reflns_Friedel_fraction_full    0.664
_reflns_Friedel_fraction_max     0.664
_reflns_number_gt                8635
_reflns_number_total             14221
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00440e2.cif
_cod_data_source_block           2ni
_cod_depositor_comments
'Adding full bibliography for 7703586--7703589.cif.'
_cod_original_cell_volume        2429.84(16)
_cod_database_code               7703587
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.437
_shelx_estimated_absorpt_t_max   0.937
_shelx_res_checksum              59242
_shelx_fab_checksum              23953