Crystal structure of poly[tetraaqua-(μ4-oxalato-κ4 O,O′:O′′,O′′′)-(μ8-benzene-1,2,4,5-tetracarboxylato-κ8 O 1:O 2:O 3:O 4:O 5:O 6:O 7:O 8)yttrium(III)], C6H5O8Y
Wen, Zhi-Hui; Zhao, Xiao-Xi; Zhao, Dan; Zeitschrift für Kristallographie - New Crystal Structures 233 (2018) 583–584; doi:10.1515/ncrs-2017-0344

data_8106222
_publ_section_title
;
 Crystal structure of poly[tetraaqua-(\m4-oxalato-\k4
 O,O&#x2032;:O&#x2032;&#x2032;,O&#x2032;&#x2032;&#x2032;)-(\m8-benzene-1,2,4,5-tetracarboxylato-\k8
 O 1:O 2:O 3:O 4:O 5:O 6:O 7:O 8)yttrium(III)], C6H5O8Y
;
_journal_issue                   4
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'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              583
_journal_page_last               584
_journal_paper_doi               10.1515/ncrs-2017-0344
_journal_volume                  233
_journal_year                    2018
_chemical_formula_sum            'C6 H5 O8 Y'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_b                   8.573(4)
_cell_length_c                   8.863(2)
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_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.07
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_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker Smart Apex2 CCD area detector [10]'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.519
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.395
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.927
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.229
_refine_ls_extinction_coef       0.054(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         1846
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0435
_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^)+(0.0723P)^2^+1.3919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1155
_refine_ls_wR_factor_ref         0.1332
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1594
_reflns_number_total             1846
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2017-0344_suppl.cif
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_cod_database_code               8106222
_shelx_estimated_absorpt_t_min   0.328
_shelx_estimated_absorpt_t_max   0.813
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