Di-μ-acetato-1:2κ^2^<i>O</i>:<i>O</i>';2:3κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-1κ^4^<i>N</i>,3κ^4^<i>N</i>-bis(perchlorato-2κ^2^<i>O</i>,<i>O</i>')-2-sodium-1,3-dizinc perchlorate
Ou, Guang-Chuan; Ng, Seik Weng; Acta Crystallographica Section E 67 (2011) m1664–; doi:10.1107/S1600536811045363

data_2233000
_publ_section_title
;
 Di-\m-acetato-1:2\k^2^<i>O</i>:<i>O</i>';2:3\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-1\k^4^<i>N</i>,3\k^4^<i>N</i>-bis(perchlorato-2\k^2^<i>O</i>,<i>O</i>')-2-sodium-1,3-dizinc
 perchlorate
;
_journal_coeditor_code           XU5351
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1664
_journal_paper_doi               10.1107/S1600536811045363
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Na Zn2 (C2 H3 O2)2 (Cl O4)2 (C16 H36 N4)2] Cl O4'
_chemical_formula_moiety         'C36 H77 Cl2 N8 Na O12 Zn2 +, Cl O4 -'
_chemical_formula_sum            'C36 H77 Cl3 N8 Na O16 Zn2'
_chemical_formula_weight         1138.14
_chemical_name_systematic
;
Di-\m-acetato-1:2\k^2^<i>O</i>:<i>O</i>';2:3\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-
bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-
1\k^4^<i>N</i>,3\k^4^<i>N</i>-bis(perchlorato-2\k^2^<i>O</i>,<i>O</i>')-
2-sodium-1,3-dizinc perchlorate
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.113(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   39.151(3)
_cell_length_b                   10.7100(7)
_cell_length_c                   12.7446(9)
_cell_measurement_reflns_used    3129
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      23.75
_cell_measurement_theta_min      2.34
_cell_volume                     5134.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            10438
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.08
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_T_max  0.8441
_exptl_absorpt_correction_T_min  0.6212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.917
_refine_ls_abs_structure_details 'Flack (1983), 2251 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.07(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         7701
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0933P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                5450
_reflns_number_total             7701
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5351.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2233000
_cod_database_fobs_code          2233000