Multi-functional rare-earth hybrid layered networks: photoluminescence and catalysis studies
Cunha-Silva, Luís; Lima, Sérgio; Ananias, Duarte; Silva, Patrícia; Mafra, Luís; Carlos, Luís D.; Pillinger, Martyn; Valente, Anabela A.; Almeida Paz, Filipe A.; Rocha, João; Journal of Materials Chemistry 19 (2009) 2618–; doi:10.1039/b817381h

data_7200527
_publ_section_title
;
 Multi-functional rare-earth hybrid layered networks: photoluminescence
 and catalysis studies
;
_journal_issue                   17
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2618
_journal_paper_doi               10.1039/b817381h
_journal_volume                  19
_journal_year                    2009
_chemical_formula_moiety         'C4 H10 Ho N O9 P2'
_chemical_formula_sum            'C4 H10 Ho N O9 P2'
_chemical_formula_weight         443.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             '02 October 2008'
_audit_creation_method           'Manual editing plus fullprof.2k'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   9.7409(6)
_cell_length_b                   10.1812(6)
_cell_length_c                   20.6262(13)
_cell_measurement_temperature    298
_cell_volume                     2045.6(2)
_computing_molecular_graphics    'Crystal Impact Diamond 3.1f'
_computing_structure_refinement  FULLPROF
_computing_structure_solution    eXpo2004
_diffrn_ambient_temperature      298
_diffrn_detector_type            'X Celerator detector'
_diffrn_measurement_method       Bragg-Brentano
_diffrn_radiation_monochromator  None
_diffrn_radiation_type           X-ray
_diffrn_source                   'X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    2.877
_pd_instr_location
;
Conventional powder diffractometer instrument belonging to the
University of Aveiro and located at the Central Analytical Laboratory
;
_pd_meas_2theta_range_inc        0.010027
_pd_meas_2theta_range_max        99.99850
_pd_meas_2theta_range_min        4.00000
_pd_meas_number_of_points        9575
_pd_meas_scan_method             cont
_pd_proc_2theta_range_inc        0.010027
_pd_proc_2theta_range_max        100.0560
_pd_proc_2theta_range_min        4.0575
_pd_proc_ls_background_function  'Fixed Points'
_pd_proc_ls_pref_orient_corr
;
Modified March's function along the [002] vector. G1 refined
to about 0.962(2) which is consistent with the platy crystal
habit of the material (as revealed by SEM pictures).
;
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        3.3793
_pd_proc_ls_prof_wR_expected     0.8402
_pd_proc_ls_prof_wR_factor       4.5721
_pd_proc_wavelength              1.540560
_pd_spec_mounting
;
Glass slide
;
_pd_spec_mount_mode              Reflection
_pd_spec_shape                   'Flat sheet'
_refine_ls_number_parameters     64
_refine_ls_number_reflns         2289
_refine_ls_number_restraints     27
_refine_ls_R_I_factor            11.9288
_cod_data_source_file            b817381h.txt
_cod_data_source_block           10
_cod_depositor_comments
;

  Changing atom type symbol 'HO' to 'Ho' (upper-case to lower-case) to
  make explicit that this is Holmium, not hydrogen.

  Saulius Gra\<zulis
  2013-10-11

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_database_code               7200527
_pd_proc_ls_prof_cr_factor       18.3812
_pd_proc_ls_prof_cwr_factor      15.8326
_pd_proc_ls_prof_cwr_expected    2.9095
_pd_proc_ls_prof_chi2            29.6115
_pd_proc_ls_prof_echi2           30.2376