Diacetato(ethylenediamine)zinc(II)
Kim, Young-Inn; Lee, You-Soon; Seo, Hoe-Joo; Kang, Sung Kwon; Acta Crystallographica Section E 63 (2007) m2239–m2240; doi:10.1107/S1600536807036616

data_2214521
_publ_section_title
;
 Diacetato(ethylenediamine)zinc(II)
;
_journal_coeditor_code           BM3031
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2239
_journal_page_last               m2240
_journal_paper_doi               10.1107/S1600536807036616
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C2 H3 O2)2 (C2 H8 N2)]'
_chemical_formula_moiety         'C6 H14 N2 O4 Zn'
_chemical_formula_sum            'C6 H14 N2 O4 Zn'
_chemical_formula_weight         243.56
_chemical_name_systematic
;
Diacetato(ethylenediamine)zinc(II)
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1335(4)
_cell_length_b                   7.7866(2)
_cell_length_c                   10.4078(3)
_cell_measurement_reflns_used    1923
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.87
_cell_measurement_theta_min      3.11
_cell_volume                     983.32(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            5391
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    2.484
_exptl_absorpt_correction_T_max  0.758
_exptl_absorpt_correction_T_min  0.745
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.99
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     61
_refine_ls_number_reflns         1221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.99
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.03P)^2^+0.232P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0668
_reflns_number_gt                867
_reflns_number_total             1221
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bm3031.cif
_cod_data_source_block           I
_cod_database_code               2214521
_cod_database_fobs_code          2214521