Europium(III) Tris[dicyanoargentate(I)] Trihydrate, Eu[Ag(CN)~2~]~3~.3H~2~O
Assefa, Z.; Staples, R. J.; Fackler, Jnr, J. P.; Patterson, H. H.; Shankle, G.; Acta Crystallographica Section C 51 (1995) 2527–2529; doi:10.1107/S0108270195008596

data_2004216
_publ_section_title
;
 Europium(III) Tris[dicyanoargentate(I)] Trihydrate,
 Eu[Ag(CN)~2~]~3~.3H~2~O
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2527
_journal_page_last               2529
_journal_paper_doi               10.1107/S0108270195008596
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Eu [Ag (C N )2 ]3 , 3H2 O'
_chemical_formula_structural     '[Eu (H2 O)3][Ag (C N)2]3'
_chemical_formula_sum            'C12 H12 Ag6 Eu2 N12 O6'
_chemical_formula_weight         1371.4
_chemical_name_common
;
Europium(III) Tris-[dicyanoArgentate(I)]
;
_space_group_IT_number           193
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            2
_cell_length_a                   6.6880(10)
_cell_length_b                   6.6880(10)
_cell_length_c                   18.479(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      20.00
_cell_volume                     715.8(3)
_computing_data_collection       'P3 (Nicolet, 1982)'
_computing_data_reduction        'XTAPE (Nicolet, 1982)'
_computing_publication_material  'CIFGEN (Reibenspies, 1994)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens R3m/E diffractometer'
_diffrn_measurement_method       '\w (Wyckoff)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.052
_diffrn_reflns_av_sigmaI/netI    0.037
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1442
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0.50
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    16.699
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   \y-scans
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    6.363
_exptl_crystal_description       block
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.4230
_refine_diff_density_min         -1.8750
_refine_ls_extinction_coef       0.035(3)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   1.1300
_refine_ls_goodness_of_fit_obs   1.1500
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_constraints    8
_refine_ls_number_parameters     28
_refine_ls_number_reflns         332
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_obs          0.0351
_refine_ls_shift/esd_max         0.0010
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+1.1295P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0924
_refine_ls_wR_factor_obs         0.0899
_reflns_number_observed          306
_reflns_number_total             332
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            br1098.cif
_cod_data_source_block           br1098a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal ' changed to 'hexagonal'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal ' changed to 'hexagonal'
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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+1.1295P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0575P)^2^+1.1295P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        715.8(4)
_cod_database_code               2004216