Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer.
Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying; Dalton transactions (Cambridge, England : 2003) 45 (2016) 8745–8752; doi:10.1039/c6dt00641h

data_7039010
_publ_section_title
;
 Microwave-assisted ionothermal synthesis of a water-stable
 Eu-coordination polymer: a Ba(2+) ion detector and fluorescence
 thermometer.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8745
_journal_page_last               8752
_journal_paper_doi               10.1039/c6dt00641h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C8 H4 Ba O6'
_chemical_formula_sum            'C8 H4 Ba O6'
_chemical_formula_weight         333.45
_chemical_name_systematic
;
 ?
;
_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_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-31 deposited with the CCDC.
2016-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                69.771(4)
_cell_angle_beta                 67.998(5)
_cell_angle_gamma                79.288(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3881(4)
_cell_length_b                   7.4300(3)
_cell_length_c                   8.0377(4)
_cell_measurement_reflns_used    4719
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      29.8050
_cell_measurement_theta_min      3.4080
_cell_volume                     383.05(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Diamond 3'
_computing_publication_material  'office 2007'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean 10.3503
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0402
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7330
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.905
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.910
_diffrn_reflns_theta_min         3.370
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    5.190
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86428
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.891
_exptl_crystal_description       plate
_exptl_crystal_F_000             312
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2008
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0278
_refine_ls_R_factor_gt           0.0235
_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^)+(0.0166P)^2^+0.0857P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0438
_refine_ls_wR_factor_ref         0.0460
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1858
_reflns_number_total             2008
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00641h2.cif
_cod_data_source_block           added_by_encifer
_cod_depositor_comments
'Adding full bibliography for 7039009--7039010.cif.'
_cod_database_code               7039010
_shelx_estimated_absorpt_t_min   0.682
_shelx_estimated_absorpt_t_max   0.903
_shelxl_version_number           2013-2
_shelx_res_checksum              35241