Poly[[tris(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-κ<i>N</i>)(μ~3~-hydroxido)dizinc] ethanol monosolvate]
Geiger, David K.; Parsons, Dylan E.; Acta Crystallographica Section E 70 (2014) m247–m248; doi:10.1107/S1600536814012641

data_2239639
_publ_section_title
;
 Poly[[tris(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-\k<i>N</i>)(\m~3~-hydroxido)dizinc]
 ethanol monosolvate]
;
_journal_coeditor_code           GG2136
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m247
_journal_page_last               m248
_journal_paper_doi               10.1107/S1600536814012641
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac
'[Zn2 (C2 H3 O2)3 (O H) (C6 H7 Cl N2)], C2 H6 O'
_chemical_formula_moiety         'C12 H17 Cl N2 O7 Zn2, C2 H6 O'
_chemical_formula_sum            'C14 H23 Cl N2 O8 Zn2'
_chemical_formula_weight         513.53
_chemical_name_systematic
'Poly[[tris(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-\k<i>N</i>)(\m~3~-hydroxido)dizinc] ethanol monosolvate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                101.511(6)
_cell_angle_beta                 96.399(6)
_cell_angle_gamma                109.817(5)
_cell_formula_units_Z            2
_cell_length_a                   8.0769(12)
_cell_length_b                   10.8723(19)
_cell_length_c                   12.909(3)
_cell_measurement_reflns_used    2325
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.8734
_cell_measurement_theta_min      2.2807
_cell_volume                     1025.1(3)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 8.3330
_diffrn_measured_fraction_theta_full 0.911
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker SMART X2S benchtop'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  'doubly curved silicon crystal'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6443
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    2.511
_exptl_absorpt_correction_T_max  0.95
_exptl_absorpt_correction_T_min  0.52
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2013)'
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.976
_refine_diff_density_min         -1.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3329
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0797P)^2^+5.5001P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1576
_refine_ls_wR_factor_ref         0.1813
_reflns_number_gt                2403
_reflns_number_total             3329
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg2136sup1.cif
_cod_data_source_block           I
_cod_database_code               2239639
_cod_database_fobs_code          2239639
_shelx_hkl_checksum              94781
_shelx_res_checksum              12421