Crystal Structure of Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex
Kurosaki, Hiromasa; Tawada, Toshiaki; Kawasoe, Satomi; Ohashi, Yoko; Goto, Masafumi; Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x27–x28; doi:10.2116/analscix.19.x27

data_1100663
_publ_section_title
;
 Crystal Structure of
 Chloro{N-mercaptoethyl[bis(6-methyl-2-pyridylmethyl)amine]}zinc(II) complex
;
_journal_name_full
;
 Analytical Sciences: X-ray Structure Analysis Online
;
_journal_page_first              x27
_journal_page_last               x28
_journal_paper_doi               10.2116/analscix.19.x27
_journal_volume                  19
_journal_year                    2003
_chemical_formula_moiety         'C16 H24 Cl N3 S Zn'
_chemical_formula_sum            'C16 H24 Cl N3 S Zn'
_chemical_formula_weight         391.28
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.5608(8)
_cell_length_b                   7.2782(9)
_cell_length_c                   8.6423(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.8
_cell_volume                     853.0(1)
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3215
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        0.17
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.718
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.965
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews,1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.90
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   320.490
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     112
_refine_ls_number_reflns         1053
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          4.3196
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0308
_reflns_number_gt                1053
_reflns_number_total             1088
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_database_code               1100663