(μ-Ethane-1,2-diamine-κ^2^<i>N</i>:<i>N</i>')bis[bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)] tetrakis(perchlorate)
Ding, Man-Hua; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1356–; doi:10.1107/S1600536810038730

data_2227606
_publ_section_title
;
 (\m-Ethane-1,2-diamine-\k^2^<i>N</i>:<i>N</i>')bis[bis(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')zinc(II)]
 tetrakis(perchlorate)
;
_journal_coeditor_code           HG2718
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1356
_journal_paper_doi               10.1107/S1600536810038730
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn2 (C2 H8 N2)5] (Cl O4)4'
_chemical_formula_moiety         'C10 H40 N10 Zn2 4+, 4(Cl O4 -)'
_chemical_formula_sum            'C10 H40 Cl4 N10 O16 Zn2'
_chemical_formula_weight         829.06
_chemical_name_systematic
;
(\m-Ethane-1,2-diamine-\k^2^<i>N</i>:<i>N</i>')bis[bis(ethane-1,2-diamine-\
\k^2^<i>N</i>,<i>N</i>')zinc(II)] tetrakis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 119.6360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6297(8)
_cell_length_b                   14.3133(7)
_cell_length_c                   15.6811(8)
_cell_measurement_reflns_used    4985
_cell_measurement_temperature    248(2)
_cell_measurement_theta_max      26.9
_cell_measurement_theta_min      2.6
_cell_volume                     3049.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_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      248(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\f and \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  0.0287
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14146
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.006
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7111
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.062
_refine_diff_density_min         -0.833
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         6543
_refine_ls_number_restraints     293
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0558
_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^)+(0.1053P)^2^+3.3033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1600
_refine_ls_wR_factor_ref         0.1860
_reflns_number_gt                4259
_reflns_number_total             6543
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2718.cif
_cod_data_source_block           I
_cod_original_cell_volume        3049.1(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2227606
_cod_database_fobs_code          2227606