Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes
Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja; Chemical Science 13 (2022) 8274–8288; doi:10.1039/D2SC02910C

data_1567286
_publ_section_title
;
 Manipulating electron transfer -- the influence of substituents on novel
 copper guanidine quinolinyl complexes
;
_journal_issue                   28
_journal_name_full               'Chemical Science'
_journal_page_first              8274
_journal_page_last               8288
_journal_paper_doi               10.1039/D2SC02910C
_journal_volume                  13
_journal_year                    2022
_chemical_formula_moiety         'C31 H40 Cu F3 N8 O3 S, C F3 O3 S'
_chemical_formula_sum            'C32 H40 Cu F6 N8 O6 S2'
_chemical_formula_weight         874.38
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-06 deposited with the CCDC.	2022-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                98.43(3)
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_cell_measurement_theta_min      2.35
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_computing_data_collection       'SMART (Bruker, 2001)'
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_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  multilayer-optics
_diffrn_radiation_source         microsource
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_diffrn_reflns_Laue_measured_fraction_full 0.979
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_theta_max         25.497
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_exptl_absorpt_correction_T_min  0.5588
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'SADABS-2008/1 - Bruker AXS area detector scaling and absorption correction'
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_refine_ls_R_factor_all          0.1122
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_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^)+(0.1346P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6766
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2sc02910c2.cif
_cod_data_source_block           C4b
_cod_original_cell_volume        1855.7(8)
_cod_database_code               1567286
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_shelx_estimated_absorpt_t_min   0.709
_shelx_estimated_absorpt_t_max   0.918
_shelx_res_checksum              35018