A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties
Liu, Yang; Feng, Yong-Lan; Fu, Wei-Wei; Acta Crystallographica Section C 72 (2016) 308–312; doi:10.1107/S2053229616003211

data_2020497
_publ_section_title
;
 A two-dimensional zinc(II) coordination polymer based on mixed dimethyl
 succinate and bipyridine ligands: synthesis, structure, thermostability
 and luminescence properties
;
_journal_coeditor_code           YF3098
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              308
_journal_page_last               312
_journal_paper_doi               10.1107/S2053229616003211
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Zn2 (C6 H8 O4)2 (C10 H8 N2)(H2 O)], 2H2 O'
_chemical_formula_moiety         'C22 H26 N2 O9 Zn2, 2(H2 O1)'
_chemical_formula_sum            'C22 H30 N2 O11 Zn2'
_chemical_formula_weight         629.02
_chemical_name_systematic
'Poly[[aqua(\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(\m~3~-2,2-dimethylbutanedioato)-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^;\k^5^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^-dizinc(II)] dihydrate]'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                79.099(2)
_cell_angle_beta                 83.298(2)
_cell_angle_gamma                75.012(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2372(15)
_cell_length_b                   9.7244(16)
_cell_length_c                   14.511(2)
_cell_measurement_reflns_used    6239
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.33
_cell_measurement_theta_min      2.42
_cell_volume                     1233.2(3)
_computing_cell_refinement
;
APEX2 (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and
PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0280
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12084
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    2.009
_exptl_absorpt_correction_T_max  0.6894
_exptl_absorpt_correction_T_min  0.6894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2012)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.444
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4309
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0322
_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^)+(0.0325P)^2^+1.9247P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                3680
_reflns_number_total             4309
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            yf3098sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2020497
_cod_database_fobs_code 2020497