[μ-1,3-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)propan-2-olato-κ^2^<i>O</i>:<i>O</i>]bis[(ethanol-κ<i>O</i>)zinc(II)] bis(perchlorate)
Tian, Da-Min; Shi, Chong-Yu; Acta Crystallographica Section E 66 (2010) m1520–; doi:10.1107/S160053681004479X

data_2228399
_publ_section_title
;
 [\m-1,3-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-\k<i>N</i>^2^)propan-2-olato-\k^2^<i>O</i>:<i>O</i>]bis[(ethanol-\k<i>O</i>)zinc(II)]
 bis(perchlorate)
;
_journal_coeditor_code           HY2370
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1520
_journal_paper_doi               10.1107/S160053681004479X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn2 (C13 H19 N4 O)2 (C2 H6 O)2] (Cl O4)2'
_chemical_formula_moiety         'C30 H50 N8 O4 Zn2 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C30 H50 Cl2 N8 O12 Zn2'
_chemical_formula_weight         916.42
_chemical_name_systematic
;
[\m-1,3-Bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-\k<i>N</i>^2^)propan-
2-olato-\k^2^<i>O</i>:<i>O</i>]bis[(ethanol-\k<i>O</i>)zinc(II)]
bis(perchlorate)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                111.13(3)
_cell_angle_beta                 100.40(3)
_cell_angle_gamma                100.11(3)
_cell_formula_units_Z            1
_cell_length_a                   8.8570(18)
_cell_length_b                   11.148(2)
_cell_length_c                   11.300(2)
_cell_measurement_reflns_used    2230
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.74
_cell_measurement_theta_min      2.29
_cell_volume                     987.8(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)
;
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7788
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    1.417
_exptl_absorpt_correction_T_max  0.7647
_exptl_absorpt_correction_T_min  0.7647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     249
_refine_ls_number_reflns         3482
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0486P)^2^+0.4173P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0830
_reflns_number_gt                3172
_reflns_number_total             3482
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2370.cif
_cod_data_source_block           I
_cod_database_code               2228399
_cod_database_fobs_code          2228399