<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-μ-3-[3-(carboxylatomethoxy)phenyl]acrylato]
Chen, Ling; Acta Crystallographica Section E 68 (2012) m882–; doi:10.1107/S1600536812024610

data_2235346
_publ_section_title
;
 <i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-\m-3-[3-(carboxylatomethoxy)phenyl]acrylato]
;
_journal_coeditor_code           BG2464
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m882
_journal_paper_doi               10.1107/S1600536812024610
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn (C11 H8 O5) (C12 H8 N2)]'
_chemical_formula_moiety         'C23 H16 N2 O5 Zn'
_chemical_formula_sum            'C23 H16 N2 O5 Zn'
_chemical_formula_weight         465.75
_chemical_name_systematic
;
<i>catena</i>-Poly[[(1,10-phenanthroline)zinc]-
\m-3-[3-(carboxylatomethoxy)phenyl]acrylato]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.347(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2744(4)
_cell_length_b                   14.9979(6)
_cell_length_c                   15.9060(6)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.11
_cell_volume                     1948.51(14)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0120
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26006
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.301
_exptl_absorpt_correction_T_max  0.71
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             952
_exptl_crystal_size_max          .46
_exptl_crystal_size_mid          .42
_exptl_crystal_size_min          .26
_refine_diff_density_max         0.218
_refine_diff_density_min         -0.351
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3430
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0426P)^2^+0.5701P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0704
_reflns_number_gt                2980
_reflns_number_total             3430
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2464.cif
_cod_data_source_block           I
_cod_original_cell_volume        1948.51(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2235346
_cod_database_fobs_code          2235346