Crystal structure and synthesis of the bis(anthracene)dicuprate dianion as the dipotassium salt, [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-η<sup>2</sup>-anthracene)}<sub>2</sub>], the first anionic arene complex of copper.
Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.; Acta crystallographica. Section C, Structural chemistry 79 (2023) 456–463; doi:10.1107/S2053229623008367

data_2312316
_publ_section_title
;
 Crystal structure and synthesis of the bis(anthracene)dicuprate dianion
 as the dipotassium salt,
 [K(tetrahydrofuran)<sub>2</sub>]<sub>2</sub>[{Cu(9,10-&#x3b7;<sup>2</sup>-anthracene)}<sub>2</sub>],
 the first anionic arene complex of copper.
;
_journal_coeditor_code           EQ3012
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section C, Structural chemistry'
_journal_page_first              456
_journal_page_last               463
_journal_paper_doi               10.1107/S2053229623008367
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[K (C4 H8 O1)2]2 [Cu (C14 H10)2]'
_chemical_formula_moiety         '2(C8 H16 K O2 +), C28 H20 Cu2 2-'
_chemical_formula_sum            'C44 H52 Cu2 K2 O4'
_chemical_formula_weight         850.13
_chemical_name_systematic
;
Bis(\m-anthracene-\k^2^<i>C</i>^9^:<i>C</i>^10^)dicopper
bis[bis(tetrahydrofuran-\k<i>O</i>)potassium]
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_b                   10.484(2)
_cell_length_c                   10.658(2)
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.523
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_computing_cell_refinement
;
SAINT (Bruker, 2003)
;
_computing_data_collection
;
SMART (Bruker, 2003)
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_computing_data_reduction
;
SAINT (Bruker, 2003)
;
_computing_molecular_graphics
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SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2019 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2018 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART platform CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11455
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_diffrn_reflns_theta_max         27.523
_diffrn_reflns_theta_min         2.091
_diffrn_source                   'normal-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.400
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4459
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0287
_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^)+(0.0327P)^2^+0.3478P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0726
_reflns_number_gt                3853
_reflns_number_total             4459
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            eq3012sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 2312316.cif.'
_cod_original_cell_volume        981.2(4)
_cod_database_code               2312316
_cod_database_fobs_code          2312316
_shelx_estimated_absorpt_t_min   0.617
_shelx_estimated_absorpt_t_max   0.776
_shelx_hkl_checksum              83203
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