Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides
Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang; Chemistry of Materials 18 (2006) 5738–; doi:10.1021/cm0607029

data_4001562
_publ_section_title
;
 Synthesis and Characterization of Tb[N(CN)2]3&#x00B7;2H2O and
 Eu[N(CN)2]3&#x00B7;2H2O:&#x00A0; Two New Luminescent Rare-Earth
 Dicyanamides
;
_journal_issue                   24
_journal_name_full               'Chemistry of Materials'
_journal_page_first              5738
_journal_paper_doi               10.1021/cm0607029
_journal_volume                  18
_journal_year                    2006
_chemical_formula_moiety         'C6 H4 Eu N9 O2'
_chemical_formula_structural     'C6 H4 Eu N9 O2'
_chemical_formula_sum            'C6 H4 Eu N9 O2'
_chemical_formula_weight         386.15
_chemical_name_common            'Europium Dicyanamide Dihydrate'
_chemical_name_systematic        'Europium Dicyanamide Dihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 93.998(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   7.4780(4)
_cell_length_b                   11.5429(5)
_cell_length_c                   13.9756(7)
_cell_measurement_temperature    293
_cell_volume                     1203.41(10)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      293
_diffrn_detector_type            'LINEAR PSD'
_diffrn_measurement_device_type  'Debye Scherrer'
_diffrn_radiation_polarisn_ratio 0.97
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a1
_diffrn_radiation_wavelength     0.7093
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'STOE STADIP'
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 Debye-Scherrer absorption correction
Term (= MU.r/wave) =     0.69464E-05
Correction is not refined
;
_exptl_crystal_density_diffrn    2.131
_exptl_crystal_density_method    'not measured'
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_char_particle_morphology     undefined
_pd_meas_2theta_fixed            50
_pd_meas_scan_method             step
_pd_phase_name                   Eudca
_pd_prep_temperature             403
_pd_proc_info_datetime           2005-11-04T17:35:40
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 14 terms.
  Shifted Chebyshev function of 1st kind
      1:   -9.25974     2:   -1.17674     3:    13.0565     4:   -21.1977    
      5:    6.58513     6:    4.29824     7:   -15.1983     8:    9.03623    
      9:    6.63183    10:   -10.0840    11:    6.07448    12:   -4.09562    
     13:    4.98389    14:   -8.98030    
;
_pd_proc_ls_prof_R_factor        0.0368
_pd_proc_ls_prof_wR_expected     0.0415
_pd_proc_ls_prof_wR_factor       0.0467
_refine_ls_goodness_of_fit_all   1.13
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     30
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.08029
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            cm0607029si20060323_083659.cif
_cod_data_source_block           EuC6N9H4O2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (48
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (45 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4001562