New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO
Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius; Crystal Growth & Design 15 (2015) 799–; doi:10.1021/cg501604c

data_4512564
_publ_section_title
;
 New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and
 Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic
 Properties, and Solid-State Conversion to ZnO
;
_journal_issue                   2
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              799
_journal_paper_doi               10.1021/cg501604c
_journal_volume                  15
_journal_year                    2015
_chemical_formula_sum            'C13 H19 N O8 Zn'
_chemical_formula_weight         382.66
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.877(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2338(7)
_cell_length_b                   8.3870(4)
_cell_length_c                   18.4587(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1578.59(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_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  0.0493
_diffrn_reflns_av_sigmaI/netI    0.0335
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9895
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    1.597
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2649
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0439P)^2^+3.7945P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1259
_reflns_number_gt                2238
_reflns_number_total             2649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg501604c_si_004.cif
_cod_data_source_block           cs9
_cod_depositor_comments
'Adding full bibliography for 4512564--4512566.cif.'
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4512564