#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:45:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179422 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/19/4331933.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331933
loop_
_publ_author_name
'Liao, Wuping'
'Dronskowski, Richard'
_publ_section_title
;
 Crystal Structures of Extended Europium Cyanamide−Carbodiimide
 Compounds Derived from Different Reaction Conditions: 
 Temperature-Controlled Syntheses of In0.08Eu4(NCN)3I3, Eu8I9(CN)(NCN)3,
 and In0.28Eu12(NCN)5I14.91
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3828
_journal_page_last               3830
_journal_paper_doi               10.1021/ic051899u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C5 Eu12 I14.91 In0.28 N10'
_chemical_formula_weight         3947.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   10.7335(17)
_cell_length_b                   10.7335(17)
_cell_length_c                   72.375(16)
_cell_measurement_temperature    293(2)
_cell_volume                     7221(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.931
_diffrn_measured_fraction_theta_max 0.931
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0658
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       78
_diffrn_reflns_limit_l_min       -77
_diffrn_reflns_number            21926
_diffrn_reflns_theta_full        23.00
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         5.68
_exptl_absorpt_coefficient_mu    25.082
_exptl_absorpt_correction_T_max  0.3145
_exptl_absorpt_correction_T_min  0.2727
_exptl_crystal_density_diffrn    5.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             9959
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.397
_refine_diff_density_min         -2.084
_refine_diff_density_rms         0.307
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1250
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0578
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0371P)²+49.8970P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                1014
_reflns_number_total             1250
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051899usup3.cif
_cod_data_source_block           a207cm
_cod_database_code               4331933
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.6667 0.3333 0.14793(2) 0.0198(5) Uani 1 6 d S
Eu2 Eu 0.53572(6) 0.46428(6) 0.191596(15) 0.0251(3) Uani 1 2 d S
Eu3 Eu 0.6667 0.3333 0.04186(2) 0.0181(5) Uani 1 6 d S
Eu4 Eu 1.12471(6) 0.24942(11) 0.033922(14) 0.0193(3) Uani 1 2 d S
Eu5 Eu 0.53085(6) 0.06169(11) 0.084520(14) 0.0179(3) Uani 1 2 d S
Eu6 Eu 0.0000 0.0000 0.07793(3) 0.0228(5) Uani 1 6 d S
I1 I 0.80196(8) 0.19804(8) 0.009757(19) 0.0242(7) Uani 0.947(6) 2 d SP
I2 I 0.79786(8) 0.20214(8) 0.115676(18) 0.0225(4) Uani 1 2 d S
I3 I 0.46256(7) -0.07488(15) 0.042090(18) 0.0226(4) Uani 1 2 d S
I4 I 0.46555(8) 0.53445(8) 0.14463(2) 0.0266(7) Uani 0.967(6) 2 d SP
I5 I 0.18419(8) -0.18419(8) 0.09050(2) 0.0308(4) Uani 1 2 d S
I6 I 0.6667 0.3333 0.2138(2) 0.0308(4) Uani 0.167(6) 6 d SP
In1 In 0.5000 0.0000 0.0000 0.055(9) Uani 0.152(10) 4 d SP
In2 In 0.3333 0.6667 0.1667 0.055(8) Uani 0.099(12) 12 d SP
N1 N 0.7707(9) 0.5414(18) 0.1724(2) 0.021(4) Uiso 1 2 d S
N2 N 0.2105(17) 0.1052(8) 0.0548(2) 0.017(4) Uiso 1 2 d S
N3 N 0.4578(18) 0.2289(9) 0.0660(2) 0.023(4) Uiso 1 2 d S
N4 N 1.0000 0.0000 0.0165(4) 0.026(8) Uiso 1 6 d S
C1 C 0.8333 0.6667 0.1667 0.021(7) Uiso 1 4 d S
C2 C 0.335(2) 0.1673(11) 0.0604(2) 0.017(5) Uiso 1 2 d S
C3 C 1.0000 0.0000 0.0000 0.009(10) Uiso 1 12 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Eu1 N1 79.4(5) 3_665 .
N1 Eu1 N1 79.4(6) 3_665 2_655
N1 Eu1 N1 79.4(6) . 2_655
N1 Eu1 I2 86.2(4) 3_665 .
N1 Eu1 I2 137.17(14) . .
N1 Eu1 I2 137.17(14) 2_655 .
N1 Eu1 I2 137.17(14) 3_665 3_665
N1 Eu1 I2 137.17(14) . 3_665
N1 Eu1 I2 86.2(4) 2_655 3_665
I2 Eu1 I2 77.47(5) . 3_665
N1 Eu1 I2 137.17(14) 3_665 2_655
N1 Eu1 I2 86.2(4) . 2_655
N1 Eu1 I2 137.17(14) 2_655 2_655
I2 Eu1 I2 77.47(5) . 2_655
I2 Eu1 I2 77.47(5) 3_665 2_655
N1 Eu1 I4 71.04(15) 3_665 2_655
N1 Eu1 I4 141.2(4) . 2_655
N1 Eu1 I4 71.04(15) 2_655 2_655
I2 Eu1 I4 66.14(2) . 2_655
I2 Eu1 I4 66.14(2) 3_665 2_655
I2 Eu1 I4 132.61(6) 2_655 2_655
N1 Eu1 I4 71.04(15) 3_665 3_665
N1 Eu1 I4 71.04(15) . 3_665
N1 Eu1 I4 141.2(4) 2_655 3_665
I2 Eu1 I4 66.14(2) . 3_665
I2 Eu1 I4 132.61(6) 3_665 3_665
I2 Eu1 I4 66.14(2) 2_655 3_665
I4 Eu1 I4 119.598(8) 2_655 3_665
N1 Eu1 I4 141.2(4) 3_665 .
N1 Eu1 I4 71.04(15) . .
N1 Eu1 I4 71.04(15) 2_655 .
I2 Eu1 I4 132.61(6) . .
I2 Eu1 I4 66.14(2) 3_665 .
I2 Eu1 I4 66.14(2) 2_655 .
I4 Eu1 I4 119.598(8) 2_655 .
I4 Eu1 I4 119.598(8) 3_665 .
N1 Eu1 Eu2 40.5(2) 3_665 3_665
N1 Eu1 Eu2 40.5(2) . 3_665
N1 Eu1 Eu2 85.1(4) 2_655 3_665
I2 Eu1 Eu2 109.11(3) . 3_665
I2 Eu1 Eu2 171.35(5) 3_665 3_665
I2 Eu1 Eu2 109.11(3) 2_655 3_665
I4 Eu1 Eu2 110.79(3) 2_655 3_665
I4 Eu1 Eu2 56.05(3) 3_665 3_665
I4 Eu1 Eu2 110.79(3) . 3_665
N1 Eu1 Eu2 40.5(2) 3_665 2_655
N1 Eu1 Eu2 85.1(4) . 2_655
N1 Eu1 Eu2 40.5(2) 2_655 2_655
I2 Eu1 Eu2 109.11(3) . 2_655
I2 Eu1 Eu2 109.11(3) 3_665 2_655
I2 Eu1 Eu2 171.35(5) 2_655 2_655
I4 Eu1 Eu2 56.05(3) 2_655 2_655
I4 Eu1 Eu2 110.79(3) 3_665 2_655
I4 Eu1 Eu2 110.79(3) . 2_655
Eu2 Eu1 Eu2 63.80(4) 3_665 2_655
N1 Eu1 Eu2 85.1(4) 3_665 .
N1 Eu1 Eu2 40.5(2) . .
N1 Eu1 Eu2 40.5(2) 2_655 .
I2 Eu1 Eu2 171.35(5) . .
I2 Eu1 Eu2 109.11(3) 3_665 .
I2 Eu1 Eu2 109.11(3) 2_655 .
I4 Eu1 Eu2 110.79(3) 2_655 .
I4 Eu1 Eu2 110.79(3) 3_665 .
I4 Eu1 Eu2 56.05(3) . .
Eu2 Eu1 Eu2 63.80(4) 3_665 .
Eu2 Eu1 Eu2 63.80(4) 2_655 .
N1 Eu2 N1 79.3(7) 2_655 .
N1 Eu2 I6 79.9(4) 2_655 .
N1 Eu2 I6 79.9(4) . .
N1 Eu2 I4 89.1(3) 2_655 26_455
N1 Eu2 I4 143.5(3) . 26_455
I6 Eu2 I4 132.28(14) . 26_455
N1 Eu2 I4 143.5(3) 2_655 27
N1 Eu2 I4 89.1(3) . 27
I6 Eu2 I4 132.28(14) . 27
I4 Eu2 I4 79.88(6) 26_455 27
N1 Eu2 I4 72.9(3) 2_655 .
N1 Eu2 I4 72.9(3) . .
I6 Eu2 I4 144.4(3) . .
I4 Eu2 I4 70.57(4) 26_455 .
I4 Eu2 I4 70.57(4) 27 .
N1 Eu2 I2 136.6(3) 2_655 26_565
N1 Eu2 I2 68.6(3) . 26_565
I6 Eu2 I2 66.74(10) . 26_565
I4 Eu2 I2 133.82(4) 26_455 26_565
I4 Eu2 I2 66.01(3) 27 26_565
I4 Eu2 I2 121.03(3) . 26_565
N1 Eu2 I2 68.6(3) 2_655 27_445
N1 Eu2 I2 136.6(3) . 27_445
I6 Eu2 I2 66.74(10) . 27_445
I4 Eu2 I2 66.01(3) 26_455 27_445
I4 Eu2 I2 133.82(4) 27 27_445
I4 Eu2 I2 121.03(3) . 27_445
I2 Eu2 I2 117.72(5) 26_565 27_445
N1 Eu2 Eu1 40.5(4) 2_655 .
N1 Eu2 Eu1 40.5(4) . .
I6 Eu2 Eu1 85.8(3) . .
I4 Eu2 Eu1 114.60(4) 26_455 .
I4 Eu2 Eu1 114.60(4) 27 .
I4 Eu2 Eu1 58.60(3) . .
I2 Eu2 Eu1 107.69(3) 26_565 .
I2 Eu2 Eu1 107.69(3) 27_445 .
N1 Eu2 Eu2 36.5(3) 2_655 2_655
N1 Eu2 Eu2 80.5(3) . 2_655
I6 Eu2 Eu2 43.69(18) . 2_655
I4 Eu2 Eu2 109.92(3) 26_455 2_655
I4 Eu2 Eu2 169.34(3) 27 2_655
I4 Eu2 Eu2 108.08(3) . 2_655
I2 Eu2 Eu2 107.54(2) 26_565 2_655
I2 Eu2 Eu2 56.33(2) 27_445 2_655
Eu1 Eu2 Eu2 58.098(19) . 2_655
N1 Eu2 Eu2 80.5(3) 2_655 3_665
N1 Eu2 Eu2 36.5(3) . 3_665
I6 Eu2 Eu2 43.69(18) . 3_665
I4 Eu2 Eu2 169.34(3) 26_455 3_665
I4 Eu2 Eu2 109.92(3) 27 3_665
I4 Eu2 Eu2 108.08(3) . 3_665
I2 Eu2 Eu2 56.33(2) 26_565 3_665
I2 Eu2 Eu2 107.54(2) 27_445 3_665
Eu1 Eu2 Eu2 58.10(2) . 3_665
Eu2 Eu2 Eu2 60.0 2_655 3_665
N3 Eu3 N3 80.1(6) 2_655 3_665
N3 Eu3 N3 80.1(6) 2_655 .
N3 Eu3 N3 80.1(6) 3_665 .
N3 Eu3 I1 84.8(4) 2_655 .
N3 Eu3 I1 136.64(14) 3_665 .
N3 Eu3 I1 136.64(14) . .
N3 Eu3 I1 136.64(14) 2_655 3_665
N3 Eu3 I1 136.64(14) 3_665 3_665
N3 Eu3 I1 84.8(4) . 3_665
I1 Eu3 I1 79.01(5) . 3_665
N3 Eu3 I1 136.64(14) 2_655 2_655
N3 Eu3 I1 84.7(4) 3_665 2_655
N3 Eu3 I1 136.64(14) . 2_655
I1 Eu3 I1 79.01(5) . 2_655
I1 Eu3 I1 79.01(5) 3_665 2_655
N3 Eu3 I3 68.01(13) 2_655 .
N3 Eu3 I3 137.7(4) 3_665 .
N3 Eu3 I3 68.01(13) . .
I1 Eu3 I3 68.64(2) . .
I1 Eu3 I3 68.64(2) 3_665 .
I1 Eu3 I3 137.52(6) 2_655 .
N3 Eu3 I3 68.01(13) 2_655 2_655
N3 Eu3 I3 68.01(13) 3_665 2_655
N3 Eu3 I3 137.7(4) . 2_655
I1 Eu3 I3 68.64(2) . 2_655
I1 Eu3 I3 137.52(6) 3_665 2_655
I1 Eu3 I3 68.64(2) 2_655 2_655
I3 Eu3 I3 119.998(1) . 2_655
N3 Eu3 I3 137.7(4) 2_655 3_665
N3 Eu3 I3 68.01(13) 3_665 3_665
N3 Eu3 I3 68.01(13) . 3_665
I1 Eu3 I3 137.52(6) . 3_665
I1 Eu3 I3 68.64(2) 3_665 3_665
I1 Eu3 I3 68.64(2) 2_655 3_665
I3 Eu3 I3 119.998(1) . 3_665
I3 Eu3 I3 119.998(1) 2_655 3_665
N3 Eu3 Eu5 41.1(2) 2_655 2_655
N3 Eu3 Eu5 41.1(2) 3_665 2_655
N3 Eu3 Eu5 87.3(4) . 2_655
I1 Eu3 Eu5 107.02(3) . 2_655
I1 Eu3 Eu5 172.01(5) 3_665 2_655
I1 Eu3 Eu5 107.02(3) 2_655 2_655
I3 Eu3 Eu5 108.25(3) . 2_655
I3 Eu3 Eu5 50.47(3) 2_655 2_655
I3 Eu3 Eu5 108.25(3) 3_665 2_655
N3 Eu3 Eu5 41.1(2) 2_655 .
N3 Eu3 Eu5 87.3(4) 3_665 .
N3 Eu3 Eu5 41.1(2) . .
I1 Eu3 Eu5 107.02(3) . .
I1 Eu3 Eu5 107.02(3) 3_665 .
I1 Eu3 Eu5 172.01(5) 2_655 .
I3 Eu3 Eu5 50.47(3) . .
I3 Eu3 Eu5 108.25(3) 2_655 .
I3 Eu3 Eu5 108.25(3) 3_665 .
Eu5 Eu3 Eu5 66.49(4) 2_655 .
N3 Eu3 Eu5 87.3(4) 2_655 3_665
N3 Eu3 Eu5 41.1(2) 3_665 3_665
N3 Eu3 Eu5 41.1(2) . 3_665
I1 Eu3 Eu5 172.01(5) . 3_665
I1 Eu3 Eu5 107.02(3) 3_665 3_665
I1 Eu3 Eu5 107.02(3) 2_655 3_665
I3 Eu3 Eu5 108.25(3) . 3_665
I3 Eu3 Eu5 108.25(3) 2_655 3_665
I3 Eu3 Eu5 50.47(3) 3_665 3_665
Eu5 Eu3 Eu5 66.49(4) 2_655 3_665
Eu5 Eu3 Eu5 66.49(4) . 3_665
N2 Eu4 N2 80.0(7) 1_655 2_655
N2 Eu4 N4 80.0(5) 1_655 .
N2 Eu4 N4 80.0(5) 2_655 .
N2 Eu4 I3 84.8(3) 1_655 3_765
N2 Eu4 I3 133.3(3) 2_655 3_765
N4 Eu4 I3 139.96(19) . 3_765
N2 Eu4 I3 133.3(3) 1_655 2_655
N2 Eu4 I3 84.8(3) 2_655 2_655
N4 Eu4 I3 139.96(19) . 2_655
I3 Eu4 I3 74.39(5) 3_765 2_655
N2 Eu4 I1 136.6(3) 1_655 20_665
N2 Eu4 I1 136.6(3) 2_655 20_665
N4 Eu4 I1 84.8(6) . 20_665
I3 Eu4 I1 81.35(4) 3_765 20_665
I3 Eu4 I1 81.35(4) 2_655 20_665
N2 Eu4 I1 69.4(3) 1_655 3_765
N2 Eu4 I1 140.0(3) 2_655 3_765
N4 Eu4 I1 70.0(2) . 3_765
I3 Eu4 I1 69.98(3) 3_765 3_765
I3 Eu4 I1 135.13(4) 2_655 3_765
I1 Eu4 I1 67.28(2) 20_665 3_765
N2 Eu4 I1 140.0(3) 1_655 .
N2 Eu4 I1 69.4(3) 2_655 .
N4 Eu4 I1 70.0(2) . .
I3 Eu4 I1 135.13(4) 3_765 .
I3 Eu4 I1 69.98(3) 2_655 .
I1 Eu4 I1 67.28(2) 20_665 .
I1 Eu4 I1 120.76(5) 3_765 .
N2 Eu4 Eu6 40.3(3) 1_655 1_655
N2 Eu4 Eu6 40.3(3) 2_655 1_655
N4 Eu4 Eu6 82.4(6) . 1_655
I3 Eu4 Eu6 108.60(4) 3_765 1_655
I3 Eu4 Eu6 108.60(4) 2_655 1_655
I1 Eu4 Eu6 167.27(4) 20_665 1_655
I1 Eu4 Eu6 107.99(3) 3_765 1_655
I1 Eu4 Eu6 107.99(3) . 1_655
N2 Eu4 Eu4 83.2(3) 1_655 2_645
N2 Eu4 Eu4 40.4(3) 2_655 2_645
N4 Eu4 Eu4 40.4(4) . 2_645
I3 Eu4 Eu4 167.40(3) 3_765 2_645
I3 Eu4 Eu4 111.80(3) 2_655 2_645
I1 Eu4 Eu4 110.06(3) 20_665 2_645
I1 Eu4 Eu4 108.78(2) 3_765 2_645
I1 Eu4 Eu4 56.81(2) . 2_645
Eu6 Eu4 Eu4 59.356(19) 1_655 2_645
N2 Eu4 Eu4 40.4(3) 1_655 3_765
N2 Eu4 Eu4 83.2(3) 2_655 3_765
N4 Eu4 Eu4 40.4(4) . 3_765
I3 Eu4 Eu4 111.80(3) 3_765 3_765
I3 Eu4 Eu4 167.40(3) 2_655 3_765
I1 Eu4 Eu4 110.06(3) 20_665 3_765
I1 Eu4 Eu4 56.81(2) 3_765 3_765
I1 Eu4 Eu4 108.78(2) . 3_765
Eu6 Eu4 Eu4 59.356(19) 1_655 3_765
Eu4 Eu4 Eu4 60.0 2_645 3_765
N3 Eu5 N3 78.7(7) . 2_655
N3 Eu5 I3 76.0(3) . .
N3 Eu5 I3 76.0(3) 2_655 .
N3 Eu5 I5 157.1(3) . 3_655
N3 Eu5 I5 90.6(4) 2_655 3_655
I3 Eu5 I5 81.86(4) . 3_655
N3 Eu5 I5 90.6(4) . .
N3 Eu5 I5 157.1(3) 2_655 .
I3 Eu5 I5 81.86(4) . .
I5 Eu5 I5 91.82(6) 3_655 .
N3 Eu5 I2 120.7(3) . .
N3 Eu5 I2 73.3(3) 2_655 .
I3 Eu5 I2 140.35(3) . .
I5 Eu5 I2 74.14(3) 3_655 .
I5 Eu5 I2 129.15(4) . .
N3 Eu5 I2 73.3(3) . 3_665
N3 Eu5 I2 120.7(3) 2_655 3_665
I3 Eu5 I2 140.35(3) . 3_665
I5 Eu5 I2 129.15(4) 3_655 3_665
I5 Eu5 I2 74.14(3) . 3_665
I2 Eu5 I2 78.06(5) . 3_665
N3 Eu5 Eu3 40.4(4) . .
N3 Eu5 Eu3 40.4(4) 2_655 .
I3 Eu5 Eu3 61.74(4) . .
I5 Eu5 Eu3 122.21(3) 3_655 .
I5 Eu5 Eu3 122.21(3) . .
I2 Eu5 Eu3 105.90(3) . .
I2 Eu5 Eu3 105.90(3) 3_665 .
N3 Eu5 Eu5 79.0(3) . 2_655
N3 Eu5 Eu5 34.5(3) 2_655 2_655
I3 Eu5 Eu5 109.32(3) . 2_655
I5 Eu5 Eu5 103.47(3) 3_655 2_655
I5 Eu5 Eu5 162.02(3) . 2_655
I2 Eu5 Eu5 49.31(2) . 2_655
I2 Eu5 Eu5 88.73(3) 3_665 2_655
Eu3 Eu5 Eu5 56.753(18) . 2_655
N3 Eu5 Eu5 34.5(3) . 3_665
N3 Eu5 Eu5 79.0(3) 2_655 3_665
I3 Eu5 Eu5 109.32(3) . 3_665
I5 Eu5 Eu5 162.02(3) 3_655 3_665
I5 Eu5 Eu5 103.47(3) . 3_665
I2 Eu5 Eu5 88.73(3) . 3_665
I2 Eu5 Eu5 49.31(2) 3_665 3_665
Eu3 Eu5 Eu5 56.753(18) . 3_665
Eu5 Eu5 Eu5 60.0 2_655 3_665
N2 Eu6 N2 82.2(5) 3 .
N2 Eu6 N2 82.2(5) 3 2
N2 Eu6 N2 82.2(5) . 2
N2 Eu6 I6 130.6(3) 3 25
N2 Eu6 I6 130.6(3) . 25
N2 Eu6 I6 130.6(3) 2 25
N2 Eu6 I5 78.47(18) 3 3
N2 Eu6 I5 154.3(3) . 3
N2 Eu6 I5 78.47(18) 2 3
I6 Eu6 I5 75.12(4) 25 3
N2 Eu6 I5 154.3(3) 3 2
N2 Eu6 I5 78.47(18) . 2
N2 Eu6 I5 78.47(18) 2 2
I6 Eu6 I5 75.12(4) 25 2
I5 Eu6 I5 113.64(3) 3 2
N2 Eu6 I5 78.47(18) 3 .
N2 Eu6 I5 78.47(18) . .
N2 Eu6 I5 154.3(3) 2 .
I6 Eu6 I5 75.12(4) 25 .
I5 Eu6 I5 113.64(3) 3 .
I5 Eu6 I5 113.64(3) 2 .
N2 Eu6 Eu4 41.5(2) 3 2_545
N2 Eu6 Eu4 85.5(3) . 2_545
N2 Eu6 Eu4 41.5(2) 2 2_545
I6 Eu6 Eu4 143.95(2) 25 2_545
I5 Eu6 Eu4 68.83(3) 3 2_545
I5 Eu6 Eu4 119.47(3) 2 2_545
I5 Eu6 Eu4 119.47(3) . 2_545
N2 Eu6 Eu4 41.5(2) 3 3_665
N2 Eu6 Eu4 41.5(2) . 3_665
N2 Eu6 Eu4 85.5(3) 2 3_665
I6 Eu6 Eu4 143.95(2) 25 3_665
I5 Eu6 Eu4 119.47(3) 3 3_665
I5 Eu6 Eu4 119.47(3) 2 3_665
I5 Eu6 Eu4 68.83(3) . 3_665
Eu4 Eu6 Eu4 61.29(4) 2_545 3_665
N2 Eu6 Eu4 85.5(3) 3 1_455
N2 Eu6 Eu4 41.5(2) . 1_455
N2 Eu6 Eu4 41.5(2) 2 1_455
I6 Eu6 Eu4 143.95(2) 25 1_455
I5 Eu6 Eu4 119.47(3) 3 1_455
I5 Eu6 Eu4 68.83(3) 2 1_455
I5 Eu6 Eu4 119.47(3) . 1_455
Eu4 Eu6 Eu4 61.29(4) 2_545 1_455
Eu4 Eu6 Eu4 61.29(4) 3_665 1_455
In1 I1 In1 131.93(5) . 2_655
In1 I1 Eu3 85.50(3) . .
In1 I1 Eu3 85.50(3) 2_655 .
In1 I1 Eu4 84.81(3) . 21_545
In1 I1 Eu4 84.81(3) 2_655 21_545
Eu3 I1 Eu4 156.06(6) . 21_545
In1 I1 Eu4 80.84(2) . 2_645
In1 I1 Eu4 147.21(4) 2_655 2_645
Eu3 I1 Eu4 100.47(4) . 2_645
Eu4 I1 Eu4 99.53(4) 21_545 2_645
In1 I1 Eu4 147.21(4) . .
In1 I1 Eu4 80.84(2) 2_655 .
Eu3 I1 Eu4 100.47(4) . .
Eu4 I1 Eu4 99.53(4) 21_545 .
Eu4 I1 Eu4 66.38(4) 2_645 .
Eu5 I2 Eu5 81.38(5) . 2_655
Eu5 I2 Eu1 102.20(4) . .
Eu5 I2 Eu1 102.20(4) 2_655 .
Eu5 I2 Eu2 158.33(5) . 26
Eu5 I2 Eu2 101.91(3) 2_655 26
Eu1 I2 Eu2 98.03(4) . 26
Eu5 I2 Eu2 101.91(3) . 27_545
Eu5 I2 Eu2 158.33(5) 2_655 27_545
Eu1 I2 Eu2 98.03(4) . 27_545
Eu2 I2 Eu2 67.35(4) 26 27_545
In1 I3 Eu5 144.67(5) . .
In1 I3 Eu4 82.10(3) . 2_645
Eu5 I3 Eu4 102.13(3) . 2_645
In1 I3 Eu4 82.10(3) . 3_665
Eu5 I3 Eu4 102.13(3) . 3_665
Eu4 I3 Eu4 154.79(5) 2_645 3_665
In1 I3 Eu3 76.88(4) . .
Eu5 I3 Eu3 67.79(4) . .
Eu4 I3 Eu3 97.69(3) 2_645 .
Eu4 I3 Eu3 97.69(3) 3_665 .
In2 I4 Eu2 83.59(3) . 26_455
In2 I4 Eu2 83.59(3) . 27
Eu2 I4 Eu2 158.68(6) 26_455 27
In2 I4 Eu2 78.01(4) . .
Eu2 I4 Eu2 96.96(3) 26_455 .
Eu2 I4 Eu2 96.96(3) 27 .
In2 I4 Eu1 143.37(6) . .
Eu2 I4 Eu1 100.23(3) 26_455 .
Eu2 I4 Eu1 100.23(3) 27 .
Eu2 I4 Eu1 65.35(4) . .
Eu5 I5 Eu5 144.04(6) 2_545 .
Eu5 I5 Eu6 103.74(3) 2_545 .
Eu5 I5 Eu6 103.74(3) . .
Eu2 I6 Eu2 92.6(4) 2_655 3_665
Eu2 I6 Eu2 92.6(4) 2_655 .
Eu2 I6 Eu2 92.6(4) 3_665 .
Eu2 I6 Eu6 123.4(3) 2_655 25
Eu2 I6 Eu6 123.4(3) 3_665 25
Eu2 I6 Eu6 123.4(3) . 25
I1 In1 I1 180.00(6) . 19_655
I1 In1 I1 84.30(6) . 21_545
I1 In1 I1 95.70(6) 19_655 21_545
I1 In1 I1 95.70(6) . 3_665
I1 In1 I1 84.30(6) 19_655 3_665
I1 In1 I1 180.00(7) 21_545 3_665
I1 In1 I3 95.44(3) . 19_655
I1 In1 I3 84.56(3) 19_655 19_655
I1 In1 I3 84.56(3) 21_545 19_655
I1 In1 I3 95.44(3) 3_665 19_655
I1 In1 I3 84.56(3) . .
I1 In1 I3 95.44(3) 19_655 .
I1 In1 I3 95.44(3) 21_545 .
I1 In1 I3 84.56(3) 3_665 .
I3 In1 I3 180.00(6) 19_655 .
I4 In2 I4 93.18(4) 3_565 2_665
I4 In2 I4 93.18(4) 3_565 .
I4 In2 I4 93.18(4) 2_665 .
I4 In2 I4 180.0 3_565 27
I4 In2 I4 86.82(4) 2_665 27
I4 In2 I4 86.82(4) . 27
I4 In2 I4 86.82(4) 3_565 26_455
I4 In2 I4 180.0 2_665 26_455
I4 In2 I4 86.82(4) . 26_455
I4 In2 I4 93.18(4) 27 26_455
I4 In2 I4 86.82(4) 3_565 25_565
I4 In2 I4 86.82(4) 2_665 25_565
I4 In2 I4 180.0 . 25_565
I4 In2 I4 93.18(4) 27 25_565
I4 In2 I4 93.18(4) 26_455 25_565
C1 N1 Eu1 117.8(9) . .
C1 N1 Eu2 115.8(5) . 3_665
Eu1 N1 Eu2 99.0(4) . 3_665
C1 N1 Eu2 115.8(5) . .
Eu1 N1 Eu2 99.0(4) . .
Eu2 N1 Eu2 106.9(6) 3_665 .
C2 N2 Eu6 119.9(13) . .
C2 N2 Eu4 118.4(7) . 3_665
Eu6 N2 Eu4 98.2(4) . 3_665
C2 N2 Eu4 118.4(7) . 1_455
Eu6 N2 Eu4 98.2(4) . 1_455
Eu4 N2 Eu4 99.3(5) 3_665 1_455
C2 N3 Eu3 118.4(13) . .
C2 N3 Eu5 114.2(6) . .
Eu3 N3 Eu5 98.5(4) . .
C2 N3 Eu5 114.2(6) . 3_665
Eu3 N3 Eu5 98.5(4) . 3_665
Eu5 N3 Eu5 111.1(6) . 3_665
C3 N4 Eu4 118.5(6) . 3_765
C3 N4 Eu4 118.5(6) . .
Eu4 N4 Eu4 99.1(7) 3_765 .
C3 N4 Eu4 118.5(6) . 2_645
Eu4 N4 Eu4 99.1(7) 3_765 2_645
Eu4 N4 Eu4 99.1(7) . 2_645
N1 C1 N1 179.992(7) 25_665 .
N3 C2 N2 180.0(19) . .
N4 C3 N4 180.0 19_755 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 N1 2.624(16) 3_665
Eu1 N1 2.624(16) .
Eu1 N1 2.624(16) 2_655
Eu1 I2 3.3759(19) .
Eu1 I2 3.3759(19) 3_665
Eu1 I2 3.3759(19) 2_655
Eu1 I4 3.7466(16) 2_655
Eu1 I4 3.7466(16) 3_665
Eu1 I4 3.7466(16) .
Eu1 Eu2 3.9895(19) 3_665
Eu1 Eu2 3.9895(19) 2_655
Eu1 Eu2 3.9895(19) .
Eu2 N1 2.624(10) 2_655
Eu2 N1 2.624(10) .
Eu2 I6 2.916(9) .
Eu2 I4 3.3157(10) 26_455
Eu2 I4 3.3157(10) 27
Eu2 I4 3.641(2) .
Eu2 I2 3.8024(14) 26_565
Eu2 I2 3.8024(14) 27_445
Eu2 Eu2 4.217(2) 2_655
Eu2 Eu2 4.217(2) 3_665
Eu3 N3 2.613(16) 2_655
Eu3 N3 2.613(16) 3_665
Eu3 N3 2.613(16) .
Eu3 I1 3.4241(19) .
Eu3 I1 3.4241(19) 3_665
Eu3 I1 3.4241(19) 2_655
Eu3 I3 3.7946(15) .
Eu3 I3 3.7946(15) 2_655
Eu3 I3 3.7946(15) 3_665
Eu3 Eu5 3.9886(18) 2_655
Eu3 Eu5 3.9886(18) .
Eu3 Eu5 3.9886(18) 3_665
Eu4 N2 2.635(10) 1_655
Eu4 N2 2.635(10) 2_655
Eu4 N4 2.638(14) .
Eu4 I3 3.4418(10) 3_765
Eu4 I3 3.4418(10) 2_655
Eu4 I1 3.4428(18) 20_665
Eu4 I1 3.6679(14) 3_765
Eu4 I1 3.6679(14) .
Eu4 Eu6 3.939(2) 1_655
Eu4 Eu4 4.0157(19) 2_645
Eu4 Eu4 4.0157(19) 3_765
Eu5 N3 2.652(9) .
Eu5 N3 2.652(9) 2_655
Eu5 I3 3.3229(18) .
Eu5 I5 3.3432(10) 3_655
Eu5 I5 3.3432(10) .
Eu5 I2 3.3542(13) .
Eu5 I2 3.3542(13) 3_665
Eu5 Eu5 4.3735(19) 2_655
Eu5 Eu5 4.3735(19) 3_665
Eu6 N2 2.576(15) 3
Eu6 N2 2.576(15) .
Eu6 N2 2.576(15) 2
Eu6 I6 3.014(16) 25
Eu6 I5 3.5431(17) 3
Eu6 I5 3.5431(17) 2
Eu6 I5 3.5431(17) .
Eu6 Eu4 3.939(2) 2_545
Eu6 Eu4 3.939(2) 3_665
Eu6 Eu4 3.939(2) 1_455
I1 In1 2.9381(7) .
I1 In1 2.9381(8) 2_655
I1 Eu4 3.4427(19) 21_545
I1 Eu4 3.6679(14) 2_645
I2 Eu5 3.3542(13) 2_655
I2 Eu2 3.8024(14) 26
I2 Eu2 3.8024(14) 27_545
I3 In1 3.1247(15) .
I3 Eu4 3.4418(10) 2_645
I3 Eu4 3.4418(10) 3_665
I4 In2 2.9301(15) .
I4 Eu2 3.3157(10) 26_455
I4 Eu2 3.3157(10) 27
I5 Eu5 3.3432(10) 2_545
I6 Eu2 2.916(9) 2_655
I6 Eu2 2.916(9) 3_665
I6 Eu6 3.014(16) 25
In1 I1 2.9381(8) 19_655
In1 I1 2.9381(8) 21_545
In1 I1 2.9381(8) 3_665
In1 I3 3.1247(15) 19_655
In2 I4 2.9301(15) 3_565
In2 I4 2.9301(15) 2_665
In2 I4 2.9302(15) 27
In2 I4 2.9302(15) 26_455
In2 I4 2.9303(15) 25_565
N1 C1 1.236(17) .
N1 Eu2 2.624(10) 3_665
N2 C2 1.22(2) .
N2 Eu4 2.635(10) 3_665
N2 Eu4 2.635(10) 1_455
N3 C2 1.22(2) .
N3 Eu5 2.652(9) 3_665
N4 C3 1.20(3) .
N4 Eu4 2.638(14) 3_765
N4 Eu4 2.638(14) 2_645
C1 N1 1.236(17) 25_665
C3 N4 1.20(3) 19_755
