Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic carboxylic acids and an N-donor ligand for fluorescence sensors
Buasakun, Jiraporn; Srilaoong, Phakinee; Chainok, Kittipong; Raksakoon, Chadchalerm; Rattanakram, Ramida; Duangthongyou, Tanwawan; Inorganica Chimica Acta 511 (2020) 119839–; doi:10.1016/j.ica.2020.119839

data_1564188
_publ_section_title
;
 Novel zinc(II) coordination polymers (CPs) based on flexible aliphatic
 carboxylic acids and an N-donor ligand for fluorescence sensors
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119839
_journal_paper_doi               10.1016/j.ica.2020.119839
_journal_volume                  511
_journal_year                    2020
_chemical_formula_moiety         'C19 H18 N2 O10 Zn2, H2 O, H O'
_chemical_formula_sum            'C19 H21 N2 O12 Zn2'
_chemical_formula_weight         600.176
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_atom_sites_solution_primary     iterative
_cell_angle_alpha                100.87(3)
_cell_angle_beta                 103.33(3)
_cell_angle_gamma                93.63(4)
_cell_formula_units_Z            2
_cell_length_a                   8.029(8)
_cell_length_b                   9.313(10)
_cell_length_c                   16.203(16)
_cell_measurement_reflns_used    1978
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.42
_cell_measurement_theta_min      2.62
_cell_volume                     1151(2)
_computing_cell_refinement       'SAINT V8.30C (?, 2016)'
_computing_data_reduction        'SAINT V8.30C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.9799
_diffrn_measured_fraction_theta_max 0.9799
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_unetI/netI     0.1142
_diffrn_reflns_Laue_measured_fraction_full 0.9799
_diffrn_reflns_Laue_measured_fraction_max 0.9799
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14349
_diffrn_reflns_point_group_measured_fraction_full 0.9799
_diffrn_reflns_point_group_measured_fraction_max 0.9799
_diffrn_reflns_theta_full        25.1542
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         1.32
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5594
_exptl_absorpt_process_details   .
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.733
_exptl_crystal_density_meas      .
_exptl_crystal_description       block
_exptl_crystal_F_000             611.698
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.4808
_refine_diff_density_min         -1.4372
_refine_diff_density_rms         0.3133
_refine_ls_d_res_high            0.8360
_refine_ls_d_res_low             15.4171
_refine_ls_goodness_of_fit_ref   1.0369
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    35
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4056
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.0365
_refine_ls_R_factor_all          0.1233
_refine_ls_R_factor_gt           0.0748
_refine_ls_shift/su_max          0.1966
_refine_ls_shift/su_mean         0.0012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1509P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1973
_refine_ls_wR_factor_ref         0.2443
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              10
_reflns_limit_k_min              -11
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                2588
_reflns_number_total             4056
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            ICA-2020-511-119839.cif
_cod_data_source_block           602012_2366_02_0m
_cod_original_cell_volume        1150(2)
_cod_database_code               1564188