Structure and redox behaviour of a paramagnetic Rh-Pt-Cu-Pt-Rh heterometallic-extended metal-atom chain.
Uemura, Kazuhiro; Ikeda, Yuya; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12867–12871; doi:10.1039/d4dt01134a

data_7716685
_publ_section_title
;
 Structure and redox behaviour of a paramagnetic Rh-Pt-Cu-Pt-Rh
 heterometallic-extended metal-atom chain.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12867
_journal_page_last               12871
_journal_paper_doi               10.1039/d4dt01134a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C60 H88 Cl8 Cu N10 O4 P2 Pt2 Rh2'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2024-01-17 deposited with the CCDC.	2024-07-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
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'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
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'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
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_diffrn_ambient_temperature      123(2)
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'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'profile data from \f-scans'
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         27.497
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_diffrn_source                   'fine-focus sealed X-ray tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.53 (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_description       block
_exptl_crystal_F_000             1982
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_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.350
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_refine_diff_density_min         -1.771
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0232
_refine_ls_R_factor_gt           0.0211
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8016
_reflns_number_total             8483
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2
_cod_depositor_comments          'Adding full bibliography for 7716685.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7716685
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.132
_shelx_estimated_absorpt_t_max   0.281
_oxdiff_exptl_absorpt_empirical_full_min 0.648
_oxdiff_exptl_absorpt_empirical_full_max 1.911
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_shelx_res_checksum              97664
_shelx_hkl_checksum              62004