A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.
Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13549–13556; doi:10.1039/d0dt02601h

data_7705317
_publ_section_title
;
 A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and
 coordination chemistry.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13549
_journal_page_last               13556
_journal_paper_doi               10.1039/d0dt02601h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C14 H27 K N O6, C34 H39 Cu N3 O3 P2, 0.5(C6 H6), C2 H3 N'
_chemical_formula_sum            'C53 H72 Cu K N5 O9 P2'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-I 2ya'
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_audit_update_record
;
2020-06-19 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.587
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_refine_ls_number_restraints     111
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0440
_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^)+(0.0669P)^2^+18.0984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1358
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9315
_reflns_number_total             12649
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02601h2.cif
_cod_data_source_block           l0981a
_cod_depositor_comments
'Adding full bibliography for 7705312--7705317.cif.'
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_database_code               7705317
_shelx_shelxl_version_number     2018/1
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