A copper complex of an unusual hydroxy–carboxylate ligand: [Cu(bpy)(C~4~H~4~O~6~)]
Gao, Sen; Fronczek, Frank R.; Maverick, Andrew W.; Acta Crystallographica Section E 77 (2021) 282–285; doi:10.1107/S2056989021001286

data_2243753
_publ_section_title
;
 A copper complex of an unusual hydroxy--carboxylate ligand:
 [Cu(bpy)(C~4~H~4~O~6~)]
;
_journal_coeditor_code           PK2655
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              282
_journal_page_last               285
_journal_paper_doi               10.1107/S2056989021001286
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Cu (C4 H4 O6) (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H8 N2, Cu, C4 H4 O6'
_chemical_formula_sum            'C14 H12 Cu N2 O6'
_chemical_formula_weight         367.80
_chemical_name_common            (bpy)Cu(2-(hydroxymethyl)tartronate)
_chemical_name_systematic
'[(2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')[2-hydroxy-2-(hydroxymethyl-\k<i>O</i>)propanedioato-\k^2^<i>O</i>^1^,<i>O</i>^3^]copper(II)]'
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                95.204(4)
_cell_angle_beta                 107.729(4)
_cell_angle_gamma                111.462(4)
_cell_formula_units_Z            2
_cell_length_a                   7.6516(5)
_cell_length_b                   9.9272(6)
_cell_length_c                   10.0722(6)
_cell_measurement_reflns_used    3354
_cell_measurement_temperature    90.0(5)
_cell_measurement_theta_max      29.26
_cell_measurement_theta_min      2.18
_cell_volume                     660.34(8)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
Mercury (Macrae et al., 2020)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2014/7</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT2014/5</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      90.0(5)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa APEXII DUO CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'TRIUMPH curved graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_av_unetI/netI     0.0827
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18442
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         30.564
_diffrn_reflns_theta_min         2.180
_exptl_absorpt_coefficient_mu    1.691
_exptl_absorpt_correction_T_max  0.891
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause <i>et al.</i>, 2015)
;
_exptl_crystal_colour            'light blue'
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_description       fragment
_exptl_crystal_F_000             374
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.735
_refine_diff_density_min         -0.559
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         4041
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0489
_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^)+(0.0436P)^2^+0.3982P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                2675
_reflns_number_total             4041
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2655sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        660.34(7)
_cod_database_code               2243753
_cod_database_fobs_code          2243753
_shelx_estimated_absorpt_t_min   0.786
_shelx_estimated_absorpt_t_max   0.891
_shelx_hkl_checksum              367
_shelx_res_checksum              2229