(Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}(perchlorato-κ<i>O</i>)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}zinc tris(perchlorate)
Åstrand, Ove Alexander Høgmoen; Görbitz, Carl Henrik; Kristoffersen, Kenneth Aase; Rongved, Pål; Acta Crystallographica Section E 69 (2013) m112–m113; doi:10.1107/S1600536813001396

data_2237318
_publ_section_title
;
 (Acetonitrile){2-[bis(pyridin-2-ylmethyl-\k^2^<i>N</i>)amino-\k<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-\k<i>O</i>}(perchlorato-\k<i>O</i>)zinc
 (acetonitrile){2-[bis(pyridin-2-ylmethyl-\k^2^<i>N</i>)amino-\k<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-\k<i>O</i>}zinc
 tris(perchlorate)
;
_journal_coeditor_code           HB6972
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m112
_journal_page_last               m113
_journal_paper_doi               10.1107/S1600536813001396
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac
'[Zn (C22 H24 N4 O) (C2 H3 N)] [Zn (Cl O4) (C22 H24 N4 O) (C2 H3 N)] (Cl O4)3'
_chemical_formula_moiety
'C24 H27 Cl N5 O5 Zn +, C24 H27 N5 O Zn 2+, 3(Cl O4 -)'
_chemical_formula_sum            'C48 H54 Cl4 N10 O18 Zn2'
_chemical_formula_weight         1331.59
_chemical_name_systematic
;
(Acetonitrile){2-[bis(pyridin-2-ylmethyl-\k^2^<i>N</i>)amino-\k<i>N</i>]-
<i>N</i>-(2,6-dimethylphenyl)acetamide-\k<i>O</i>}(perchlorato-\k<i>O</i>)zinc
(acetonitrile){2-[bis(pyridin-2-ylmethyl-\k^2^<i>N</i>)amino-\k<i>N</i>]-
<i>N</i>-(2,6-dimethylphenyl)acetamide-\k<i>O</i>}zinc
tris(perchlorate)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 106.106(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   41.253(8)
_cell_length_b                   15.057(3)
_cell_length_c                   20.809(4)
_cell_measurement_reflns_used    8118
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      24.95
_cell_measurement_theta_min      2.38
_cell_volume                     12418(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and <i>Mercury</i> (Macrae <i>et al.</i>,
2008)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      105(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method
'Sets of exposures each taken over 0.5\% \w rotation'
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            43906
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.7979
_exptl_absorpt_correction_T_min  0.5313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5716
_exptl_crystal_size_max          0.91
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.662
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     782
_refine_ls_number_reflns         10987
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0725P)^2^+5.6036P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                8503
_reflns_number_total             10987
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6972.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2237318
_cod_database_fobs_code          2237318