(Aceto-nitrile-κ<i>N</i>)aqua-[<i>N</i>,<i>N</i>'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate.
Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1568–1571; doi:10.1107/S2056989017013603

data_2311448
_publ_section_title
;
 (Aceto-nitrile-\k<i>N</i>)aqua-[<i>N</i>,<i>N</i>'-bis-(pyridin-2-yl-methyl)ethane-1,2-di-amine-\k<sup>4</sup><i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II)
 perchlorate.
;
_journal_coeditor_code           IM2479
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1568
_journal_page_last               1571
_journal_paper_doi               10.1107/S2056989017013603
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Zn (C14 H18 N4) (C2 H3 N) (H2 O1)] (Cl O4)2'
_chemical_formula_moiety         'C16 H23 N5 O Zn 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C16 H23 Cl2 N5 O9 Zn'
_chemical_formula_weight         565.66
_chemical_name_systematic
'(Acetonitrile-\k<i>N</i>)aqua[<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']zinc(II) perchlorate'
_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                92.9690(10)
_cell_angle_beta                 98.2410(10)
_cell_angle_gamma                109.6200(10)
_cell_formula_units_Z            4
_cell_length_a                   8.2959(3)
_cell_length_b                   10.3169(4)
_cell_length_c                   27.7884(9)
_cell_measurement_reflns_used    9442
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      61.869
_cell_measurement_theta_min      3.239
_cell_volume                     2204.36(14)
_computing_cell_refinement
;
SAINT (Bruker, 2002)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2002)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_device_type  'Bruker Quest CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            37729
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         49.238
_diffrn_reflns_theta_min         2.310
_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_T_max  0.7528
_exptl_absorpt_correction_T_min  0.4527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.410
_exptl_crystal_size_min          0.290
_refine_diff_density_max         2.235
_refine_diff_density_min         -1.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     636
_refine_ls_number_reflns         37729
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0391P)^2^+1.0144P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                31022
_reflns_number_total             37729
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            im2479sup1.cif
_cod_data_source_block           I
_cod_database_code               2311448
_shelx_estimated_absorpt_t_min   0.247
_shelx_estimated_absorpt_t_max   0.367
_shelx_hkl_checksum              11106
_shelx_res_checksum              44063