Crystal structure of <i>catena</i>-poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ~2~-tris[4-(pyridin-3-yl)phenyl]amine-κ^2^<i>N</i>:<i>N</i>'] tetrahydrofuran monosolvate]
Kashiwagi, Yukiyasu; Kubono, Koji; Tamai, Toshiyuki; Acta Crystallographica Section E 75 (2019) 1432–1435; doi:10.1107/S2056989019012350

data_2243610
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-\k^2^<i>O</i>,<i>O</i>')zinc(II)]-\m~2~-tris[4-(pyridin-3-yl)phenyl]amine-\k^2^<i>N</i>:<i>N</i>']
 tetrahydrofuran monosolvate]
;
_journal_coeditor_code           IS5520
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1432
_journal_page_last               1435
_journal_paper_doi               10.1107/S2056989019012350
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Zn (C15 H11 O2)2 (C33 H24 N4)], C4 H8 O'
_chemical_formula_moiety         'C63 H46 N4 O4 Zn, C4 H8 O'
_chemical_formula_sum            'C67 H54 N4 O5 Zn'
_chemical_formula_weight         1060.53
_chemical_name_systematic
'<i>catena</i>-Poly[[[bis(3-oxo-1,3-diphenylprop-1-enolato-\k^2^<i>O</i>,<i>O</i>')zinc(II)]-\m~2~-tris[4-(pyridin-3-yl)phenyl]amine-\k^2^<i>N</i>:<i>N</i>'] tetrahydrofuran monosolvate]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.614(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   27.2823(14)
_cell_length_b                   19.7693(12)
_cell_length_c                   9.9674(5)
_cell_measurement_reflns_used    32853
_cell_measurement_temperature    193
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.00
_cell_volume                     5358.5(5)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_data_collection
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_data_reduction
;
RAPID-AUTO (Rigaku, 2006)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009)
;
_computing_publication_material
;
CrystalStructure (Rigaku, 2016)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>, 1993)
;
_diffrn_ambient_temperature      193
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            51154
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         2.996
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2216.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     713
_refine_ls_number_reflns         12244
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0403P)^2^+4.5060P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1284
_reflns_number_gt                8421
_reflns_number_total             12244
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            is5520sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2243610
_shelx_hkl_checksum              60943
_shelx_res_checksum              99590
_cod_database_fobs_code 2243610