Bis[μ-bis(pyridin-2-yl)methanone oxime-κ3 N:,N′,N′′]bis[diacetato-κ2 O,O′;κO-zinc(II)]
Crundwell, Guy; Crundwell, Nigel E.; Westcott, Barry L.; IUCrData 9 (2024) x240122–; doi:10.1107/S2414314624001226

data_1571038
_publ_section_title
;
 Bis[\m-bis(pyridin-2-yl)methanone oxime-\k3
 N:,N&#x2032;,N&#x2032;&#x2032;]bis[diacetato-\k2
 O,O&#x2032;;\kO-zinc(II)]
;
_journal_coeditor_code           ZL4065
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x240122
_journal_paper_doi               10.1107/S2414314624001226
_journal_volume                  9
_journal_year                    2024
_chemical_formula_iupac          '[Zn2 (C2 H3 O2)4 (C11 H9 N3 O)2]'
_chemical_formula_moiety         'C30 H30 N6 O10 Zn2'
_chemical_formula_sum            'C30 H30 N6 O10 Zn2'
_chemical_formula_weight         765.34
_chemical_name_systematic
'Bis[\m-bis(pyridin-2-yl)methanone oxime-\k^3^<i>N</i>:<i>N</i>',<i>N</i>'']bis[diacetato-\k^2^<i>O</i>,<i>O</i>';\k<i>O</i>-zinc(II)]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_cell_angle_alpha                69.409(7)
_cell_angle_beta                 75.524(6)
_cell_angle_gamma                65.217(8)
_cell_formula_units_Z            1
_cell_length_a                   8.3549(7)
_cell_length_b                   9.3366(8)
_cell_length_c                   12.3971(7)
_cell_measurement_reflns_used    4170
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.0050
_cell_measurement_theta_min      4.5360
_cell_volume                     815.89(12)
_computing_cell_refinement
;
CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)
;
_computing_data_collection
;
CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)
;
_computing_data_reduction
;
CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)
;
_computing_molecular_graphics
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
Olex2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1790
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.893
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0222
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10420
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.548
_diffrn_reflns_theta_min         4.187
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.535
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Rigaku OD, 2019)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             392
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.662
_refine_diff_density_min         -0.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         5737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0390
_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^)+(0.0443P)^2^+0.1935P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0979
_reflns_number_gt                4546
_reflns_number_total             5737
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            zl4065.cif
_cod_data_source_block           I
_cod_original_cell_volume        815.88(13)
_cod_database_code               1571038
_shelx_hkl_checksum              11432
_shelx_res_checksum              74782