A copper(II) paddle-wheel structure of tranexamic acid: di-chloro-tetra-kis-[μ-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-<i>O</i>,<i>O</i>']dicopper(II) dichloride hexa-hydrate.
Altaf, Muhammad; Stoeckli-Evans, Helen; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1421–1425; doi:10.1107/S2056989017012543

data_2311412
_publ_section_title
;
 A copper(II) paddle-wheel structure of tranexamic acid:
 di-chloro-tetra-kis-[\m-4-(ammonio-meth-yl)cyclo-hexane-1-carboxyl-ato-<i>O</i>,<i>O</i>']dicopper(II)
 dichloride hexa-hydrate.
;
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1421
_journal_page_last               1425
_journal_paper_doi               10.1107/S2056989017012543
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu2 Cl2 (C8 H15 N O2)4 ] (Cl2) , 6H2 O'
_chemical_formula_moiety         'C32 H60 Cl2 Cu2 N4 O8, 2(Cl), 6(H2 O)'
_chemical_formula_sum            'C32 H72 Cl4 Cu2 N4 O14'
_chemical_formula_weight         1005.81
_chemical_name_systematic
;
Dichloro-tetrakis[\m-4-(ammoniomethyl)cyclohexane-1-carboxylato-\
<i>O</i>,<i>O</i>']dicopper(II) dichloride hexahydrate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 91.828(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.7100(11)
_cell_length_b                   10.7163(6)
_cell_length_c                   14.9312(12)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.90
_cell_measurement_theta_min      2.25
_cell_volume                     2352.5(3)
_computing_cell_refinement
;
CELL in <i>IPDS-I</i> (Stoe & Cie, 2004)
;
_computing_data_collection
;
EXPOSE in <i>IPDS-I</i> (Stoe & Cie, 2004)
;
_computing_data_reduction
;
INTEGRATE in <i>IPDS-I</i> (Stoe & Cie, 2004)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
<i>SHELXL2016/6</i> (Sheldrick, 2015), PLATON (Spek, 2009) and
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2016/6</i> (Sheldrick, 2015)
;
_computing_structure_solution
;
<i>SHELXS2016/6</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '1 circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 1'
_diffrn_measurement_method       '\f rotation'
_diffrn_radiation_monochromator  'plane graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0907
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18018
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.898
_diffrn_reflns_theta_min         2.340
_exptl_absorpt_coefficient_mu    1.192
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(MULABS; Spek, 2009)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_description       plate
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.797
_refine_diff_density_min         -0.927
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4545
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0666
_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^)+(0.1331P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1846
_refine_ls_wR_factor_ref         0.1964
_reflns_number_gt                3172
_reflns_number_total             4545
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5416sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311412
_shelx_hkl_checksum              19365
_shelx_res_checksum              76319