Two-dimensional rare-earth-metal coordination polymers based on biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence
Zhou, Juan; Zhang, Xinlei; Zi, Wenwen; Zhou, Lian; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622005678

data_2022619
_publ_section_title
;
 Two-dimensional rare-earth-metal coordination polymers based on
 biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence
;
_journal_coeditor_code           OC3015
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622005678
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac
'[Eu4 (C16 H6 O8)2 (C2 H3 O2)4 (C4 H9 N O)4], 2C4 H9 N O, 2H2 O'
_chemical_formula_moiety         'C56 H60 Eu4 N4 O28, 2(C4 H9 N O), 2(H2 O)'
_chemical_formula_sum            'C64 H82 Eu4 N6 O32'
_chemical_formula_weight         2055.20
_chemical_name_systematic
;Poly[[tetra-\m~2~-acetato-bis(\m~6~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] dimethylacetamide disolvate
dihydrate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.131(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.3197(4)
_cell_length_b                   17.6285(6)
_cell_length_c                   11.2707(4)
_cell_measurement_reflns_used    2968
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1478
_cell_measurement_theta_min      3.1542
_cell_volume                     1846.88(12)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov <i>et al.</i>, 2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            9134
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.956
_diffrn_reflns_theta_min         3.586
_exptl_absorpt_coefficient_mu    3.441
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.874
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         4272
_refine_ls_number_restraints     625
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0314P)^2^+6.1561P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1045
_reflns_number_gt                3254
_reflns_number_total             4272
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            oc3015sup1.cif
_cod_data_source_block           bptceu
_cod_database_code               2022619
_shelx_estimated_absorpt_t_min   0.480
_shelx_estimated_absorpt_t_max   0.644
_shelx_hkl_checksum              47594
_shelx_res_checksum              6627
_cod_database_fobs_code 2022619