Remarkable thermal stability of Eu(4-phosphonobenzoate): structure investigations and luminescence properties
Rueff, Jean-Michel; Barrier, Nicolas; Boudin, Sophie; Dorcet, Vincent; Caignaert, Vincent; Boullay, Philippe; Hix, Gary B.; Jaffrès, Paul-Alain; Dalton Transactions  (2009) 10614–10620; doi:10.1039/b913590c

data_7002885
_publ_section_title
;
 Remarkable thermal stability of Eu(4-phosphonobenzoate): structure
 investigations and luminescence properties
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              10614
_journal_page_last               10620
_journal_paper_doi               10.1039/b913590c
_journal_year                    2009
_chemical_formula_structural     EuPO3C6H4CO2
_chemical_formula_sum            'C7 H4 Eu O5 P'
_chemical_formula_weight         351.04
_chemical_name_systematic        ' ?'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   20.3995(6)
_cell_length_b                   7.06565(9)
_cell_length_c                   5.45584(11)
_cell_measurement_temperature    293
_cell_volume                     786.38(3)
_computing_molecular_graphics    ATOMS/ORTEP
_computing_structure_refinement  FULLPROF
_computing_structure_solution    FOX
_diffrn_radiation_type           X-ray
_diffrn_radiation_wavelength     1.54059
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Cu
_pd_meas_2theta_range_inc        0.009204
_pd_meas_2theta_range_max        59.99390
_pd_meas_2theta_range_min        5.00000
_pd_meas_number_of_points        5976
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.009204
_pd_proc_2theta_range_max        59.9854
_pd_proc_2theta_range_min        4.9915
_pd_proc_ls_background_function  'linear interpolation'
_pd_proc_ls_pref_orient_corr     no
_pd_proc_ls_prof_R_factor        2.5108
_pd_proc_ls_prof_wR_expected     1.8397
_pd_proc_ls_prof_wR_factor       3.4455
_pd_proc_wavelength              1.540590
_pd_spec_mounting                'flat plate sample'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_number_parameters     50
_refine_ls_number_reflns         160
_refine_ls_number_restraints     6
_refine_ls_R_I_factor            12.2435
_cod_data_source_file            b913590c.txt
_cod_data_source_block           EuPO3C6H4COO
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P N 21 A'
_cod_database_code               7002885
_pd_proc_ls_prof_cr_factor       27.3873
_pd_proc_ls_prof_cwr_factor      18.5007
_pd_proc_ls_prof_cwr_expected    9.8780
_pd_proc_ls_prof_chi2            3.5078
_pd_proc_ls_prof_echi2           3.6564