A copper‒polyol complex: [Na~2~(C~2~H~6~O~2~)~6~][Cu(C~2~H~4~O~2~)~2~]
Rivers, Joseph H.; Carroll, Kyler J.; Jones, Richard A.; Carpenter, Everett E.; Acta Crystallographica Section C 66 (2010) m83–m85; doi:10.1107/S0108270110006311

data_2017553
_publ_section_title
;
 A copper--polyol complex:
 [Na~2~(C~2~H~6~O~2~)~6~][Cu(C~2~H~4~O~2~)~2~]
;
_journal_coeditor_code           FG3156
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m83
_journal_page_last               m85
_journal_paper_doi               10.1107/S0108270110006311
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Na2 (C2 H6 O2)6] [Cu (C2 H4 O2)2]'
_chemical_formula_moiety         '[C12 H36 Na2 O12]2+, [C4 H8 Cu O4]2-'
_chemical_formula_sum            'C16 H44 Cu Na2 O16'
_chemical_formula_weight         602.03
_chemical_melting_point          386
_chemical_name_common
;
hexakis(ethylene glycol)disodium bis(ethyleneglycolato)-copper(II)
;
_chemical_name_systematic
;
bis(\m-ethylene
glycol)-\k^3^<i>O</i>,<i>O</i>':<i>O</i>';\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-
bis[(ethylene
glycol-\k^2^<i>O</i>,<i>O</i>')(ethylene glycol-\k<i>O</i>)sodium]
bis(ethylene glycolato-\k<i>O</i>,<i>O</i>')copper(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           <i>SHELXL97</i>
_cell_angle_alpha                99.152(4)
_cell_angle_beta                 101.983(4)
_cell_angle_gamma                113.910(4)
_cell_formula_units_Z            1
_cell_length_a                   8.7666(12)
_cell_length_b                   9.5089(13)
_cell_length_c                   9.7804(13)
_cell_measurement_reflns_used    5829
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      54.84
_cell_measurement_theta_min      6.76
_cell_volume                     701.61(17)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CIFTAB (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7103
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.9
_exptl_absorpt_correction_T_min  0.57312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>ABSCOR</i>; Higashi, 1995)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             319
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.395
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3177
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0230P)^2^+0.6667P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0797
_reflns_number_gt                2863
_reflns_number_total             3177
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fg3156.cif
_cod_data_source_block           I
_cod_original_cell_volume        701.61(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2017553
_cod_database_fobs_code          2017553