#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:13:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179403 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/00/4330081.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4330081
loop_
_publ_author_name
'Elena Chelebaeva'
'Jérôme Long'
'Joulia Larionova'
'Rute A. S. Ferreira'
'Luis D. Carlos'
'Filipe A. Almeida Paz'
'José B. R. Gomes'
'Alexander Trifonov'
'Christian Guérin'
'Yannick Guari'
_publ_contact_author_address
; Institut Charles Gerhardt Montpellier
  UMR 5253
  CNRS-UM2-ENSCM-UM1
  Chimie Moleculaire et Organisation du Solide
  Universite Montpellier II
  Place E. Bataillon
  34095 Montpellier cedex 5
  France
;
_publ_contact_author_email       joulia@univ-montp2.fr
_publ_contact_author_name        'Professor Joulia Larionova'
_publ_section_title
;
 Bifunctional Mixed-Lanthanide Cyano-Bridged Coordination Polymers
 Ln0.5Ln'0.5(H2O)5[W(CN)8] (Ln/Ln' = Eu3+/Tb3+, Eu3+/Gd3+, Tb3+/Sm3+)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9005
_journal_page_last               9016
_journal_paper_doi               10.1021/ic301144j
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C16 H20 Eu Gd N16 O10 W2'
_chemical_formula_sum            'C16 H20 Eu Gd N16 O10 W2'
_chemical_formula_weight         1273.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '26 January 2012'
_audit_creation_method           'SHELXL-97, manual editing plus enCIFer'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.95220(10)
_cell_length_b                   10.95220(10)
_cell_length_c                   7.13630(10)
_cell_measurement_reflns_used    16155
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      34.6765
_cell_measurement_theta_min      2.6196
_cell_volume                     856.004(16)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean 8.4205
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0135
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            29637
_diffrn_reflns_theta_full        34.81
_diffrn_reflns_theta_max         34.81
_diffrn_reflns_theta_min         3.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.483
_exptl_absorpt_correction_T_max  0.4204
_exptl_absorpt_correction_T_min  0.2848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.470
_exptl_crystal_description       Prism
_exptl_crystal_F_000             583
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.501
_refine_diff_density_min         -1.758
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         1058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0169
_refine_ls_R_factor_gt           0.0144
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0163P)²+0.3094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0330
_refine_ls_wR_factor_ref         0.0333
_reflns_number_gt                981
_reflns_number_total             1058
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic301144j_si_002_2.cif
_cod_data_source_block           II-CCDC_753632
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               4330081
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'y, x, z'
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 0.2500 0.2500 0.75822(3) 0.00881(5) Uani 0.50 8 d SP
Gd1 Gd 0.2500 0.2500 0.75822(3) 0.00881(5) Uani 0.50 8 d SP
W1 W 0.2500 0.7500 0.5000 0.00785(5) Uani 1 8 d S
O1W O 0.2500 0.2500 0.4040(6) 0.0312(10) Uani 1 8 d S
O2W O 0.1401(6) 0.3599(6) 1.0014(12) 0.038(2) Uani 0.40 2 d SP
O3W O 0.1331(5) 0.4013(5) 0.9443(8) 0.0225(14) Uani 0.30 1 d P
N1 N 0.2800(3) 0.4637(3) 0.6355(5) 0.0262(9) Uani 0.50 1 d P
C1 C 0.2750(3) 0.5647(3) 0.5908(5) 0.0174(9) Uani 0.50 1 d P
N2 N 0.2021(4) 0.9303(4) 0.1358(5) 0.0327(9) Uani 0.50 1 d P
C2 C 0.2226(3) 0.8676(3) 0.2617(5) 0.0179(7) Uani 0.50 1 d P
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'
H H 0.0000 0.0000 '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'
Gd Gd -0.1653 3.9035 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
O2W Eu1 O2W 88.9(4) 4 3
O2W Eu1 O2W 59.4(2) 4 .
O2W Eu1 O2W 59.4(2) 3 .
O2W Eu1 O2W 59.4(2) 4 2
O2W Eu1 O2W 59.4(2) 3 2
O2W Eu1 O2W 88.9(4) . 2
O2W Eu1 O3W 14.32(19) 4 4
O2W Eu1 O3W 101.8(2) 3 4
O2W Eu1 O3W 72.11(17) . 4
O2W Eu1 O3W 62.78(13) 2 4
O2W Eu1 O3W 14.32(19) 4 14_655
O2W Eu1 O3W 101.8(2) 3 14_655
O2W Eu1 O3W 62.78(13) . 14_655
O2W Eu1 O3W 72.11(17) 2 14_655
O3W Eu1 O3W 12.3(2) 4 14_655
O2W Eu1 O3W 62.78(13) 4 16
O2W Eu1 O3W 72.11(17) 3 16
O2W Eu1 O3W 101.8(2) . 16
O2W Eu1 O3W 14.32(19) 2 16
O3W Eu1 O3W 62.2(2) 4 16
O3W Eu1 O3W 73.33(12) 14_655 16
O2W Eu1 O3W 101.8(2) 4 3
O2W Eu1 O3W 14.32(19) 3 3
O2W Eu1 O3W 62.78(13) . 3
O2W Eu1 O3W 72.11(17) 2 3
O3W Eu1 O3W 115.2(3) 4 3
O3W Eu1 O3W 113.8(3) 14_655 3
O3W Eu1 O3W 83.9(2) 16 3
O2W Eu1 O3W 72.11(17) 4 15_665
O2W Eu1 O3W 62.78(13) 3 15_665
O2W Eu1 O3W 14.32(19) . 15_665
O2W Eu1 O3W 101.8(2) 2 15_665
O3W Eu1 O3W 83.9(2) 4 15_665
O3W Eu1 O3W 73.33(12) 14_655 15_665
O3W Eu1 O3W 115.2(3) 16 15_665
O3W Eu1 O3W 62.2(2) 3 15_665
O2W Eu1 O3W 101.8(2) 4 13_565
O2W Eu1 O3W 14.32(19) 3 13_565
O2W Eu1 O3W 72.11(17) . 13_565
O2W Eu1 O3W 62.78(13) 2 13_565
O3W Eu1 O3W 113.8(3) 4 13_565
O3W Eu1 O3W 115.2(3) 14_655 13_565
O3W Eu1 O3W 73.33(12) 16 13_565
O3W Eu1 O3W 12.3(2) 3 13_565
O3W Eu1 O3W 73.33(12) 15_665 13_565
O2W Eu1 O3W 62.78(13) 4 .
O2W Eu1 O3W 72.11(17) 3 .
O2W Eu1 O3W 14.32(19) . .
O2W Eu1 O3W 101.8(2) 2 .
O3W Eu1 O3W 73.33(12) 4 .
O3W Eu1 O3W 62.2(2) 14_655 .
O3W Eu1 O3W 113.8(3) 16 .
O3W Eu1 O3W 73.33(12) 3 .
O3W Eu1 O3W 12.3(2) 15_665 .
O3W Eu1 O3W 83.9(2) 13_565 .
O2W Eu1 O3W 72.11(17) 4 2
O2W Eu1 O3W 62.78(13) 3 2
O2W Eu1 O3W 101.8(2) . 2
O2W Eu1 O3W 14.32(19) 2 2
O3W Eu1 O3W 73.33(12) 4 2
O3W Eu1 O3W 83.9(2) 14_655 2
O3W Eu1 O3W 12.3(2) 16 2
O3W Eu1 O3W 73.33(12) 3 2
O3W Eu1 O3W 113.8(3) 15_665 2
O3W Eu1 O3W 62.2(2) 13_565 2
O3W Eu1 O3W 115.2(3) . 2
O2W Eu1 N1 140.57(12) 4 15_665
O2W Eu1 N1 73.96(18) 3 15_665
O2W Eu1 N1 81.53(15) . 15_665
O2W Eu1 N1 130.04(9) 2 15_665
O3W Eu1 N1 150.91(13) 4 15_665
O3W Eu1 N1 138.83(13) 14_655 15_665
O3W Eu1 N1 137.66(13) 16 15_665
O3W Eu1 N1 59.89(14) 3 15_665
O3W Eu1 N1 68.47(13) 15_665 15_665
O3W Eu1 N1 67.63(15) 13_565 15_665
O3W Eu1 N1 78.09(14) . 15_665
O3W Eu1 N1 125.35(14) 2 15_665
O2W Eu1 N1 130.04(9) 4 3
O2W Eu1 N1 81.53(15) 3 3
O2W Eu1 N1 73.96(18) . 3
O2W Eu1 N1 140.57(12) 2 3
O3W Eu1 N1 137.66(13) 4 3
O3W Eu1 N1 125.35(13) 14_655 3
O3W Eu1 N1 150.91(13) 16 3
O3W Eu1 N1 68.47(13) 3 3
O3W Eu1 N1 59.89(14) 15_665 3
O3W Eu1 N1 78.09(14) 13_565 3
O3W Eu1 N1 67.63(15) . 3
O3W Eu1 N1 138.83(13) 2 3
N1 Eu1 N1 14.99(16) 15_665 3
O2W Eu1 N1 140.57(12) 4 2
O2W Eu1 N1 73.96(18) 3 2
O2W Eu1 N1 130.04(9) . 2
O2W Eu1 N1 81.53(15) 2 2
O3W Eu1 N1 138.83(13) 4 2
O3W Eu1 N1 150.91(13) 14_655 2
O3W Eu1 N1 78.09(14) 16 2
O3W Eu1 N1 67.63(15) 3 2
O3W Eu1 N1 125.35(14) 15_665 2
O3W Eu1 N1 59.89(14) 13_565 2
O3W Eu1 N1 137.66(13) . 2
O3W Eu1 N1 68.47(13) 2 2
N1 Eu1 N1 68.72(16) 15_665 2
N1 Eu1 N1 83.07(5) 3 2
O2W Eu1 N1 130.04(9) 4 13_565
O2W Eu1 N1 81.53(15) 3 13_565
O2W Eu1 N1 140.57(12) . 13_565
O2W Eu1 N1 73.96(18) 2 13_565
O3W Eu1 N1 125.35(14) 4 13_565
O3W Eu1 N1 137.66(13) 14_655 13_565
O3W Eu1 N1 67.63(15) 16 13_565
O3W Eu1 N1 78.09(14) 3 13_565
O3W Eu1 N1 138.83(13) 15_665 13_565
O3W Eu1 N1 68.47(13) 13_565 13_565
O3W Eu1 N1 150.91(13) . 13_565
O3W Eu1 N1 59.89(14) 2 13_565
N1 Eu1 N1 83.07(5) 15_665 13_565
N1 Eu1 N1 96.97(16) 3 13_565
N1 Eu1 N1 14.99(16) 2 13_565
O2W Eu1 N1 73.96(18) 4 .
O2W Eu1 N1 140.57(12) 3 .
O2W Eu1 N1 81.53(15) . .
O2W Eu1 N1 130.04(9) 2 .
O3W Eu1 N1 67.63(15) 4 .
O3W Eu1 N1 59.89(14) 14_655 .
O3W Eu1 N1 125.35(14) 16 .
O3W Eu1 N1 138.83(13) 3 .
O3W Eu1 N1 78.09(14) 15_665 .
O3W Eu1 N1 150.91(13) 13_565 .
O3W Eu1 N1 68.47(13) . .
O3W Eu1 N1 137.66(13) 2 .
N1 Eu1 N1 96.97(16) 15_665 .
N1 Eu1 N1 83.07(5) 3 .
N1 Eu1 N1 139.33(15) 2 .
N1 Eu1 N1 136.43(15) 13_565 .
O2W Eu1 N1 81.53(15) 4 14_655
O2W Eu1 N1 130.04(9) 3 14_655
O2W Eu1 N1 73.96(18) . 14_655
O2W Eu1 N1 140.57(12) 2 14_655
O3W Eu1 N1 78.09(14) 4 14_655
O3W Eu1 N1 68.47(13) 14_655 14_655
O3W Eu1 N1 138.83(13) 16 14_655
O3W Eu1 N1 125.35(14) 3 14_655
O3W Eu1 N1 67.63(15) 15_665 14_655
O3W Eu1 N1 137.66(13) 13_565 14_655
O3W Eu1 N1 59.89(14) . 14_655
O3W Eu1 N1 150.91(13) 2 14_655
N1 Eu1 N1 83.07(5) 15_665 14_655
N1 Eu1 N1 68.72(16) 3 14_655
N1 Eu1 N1 136.43(15) 2 14_655
N1 Eu1 N1 139.33(15) 13_565 14_655
N1 Eu1 N1 14.99(16) . 14_655
O2W Eu1 N1 73.96(18) 4 16
O2W Eu1 N1 140.57(12) 3 16
O2W Eu1 N1 130.04(9) . 16
O2W Eu1 N1 81.53(15) 2 16
O3W Eu1 N1 59.89(14) 4 16
O3W Eu1 N1 67.63(15) 14_655 16
O3W Eu1 N1 68.47(13) 16 16
O3W Eu1 N1 150.91(13) 3 16
O3W Eu1 N1 137.66(13) 15_665 16
O3W Eu1 N1 138.83(13) 13_565 16
O3W Eu1 N1 125.35(14) . 16
O3W Eu1 N1 78.09(14) 2 16
N1 Eu1 N1 139.33(15) 15_665 16
N1 Eu1 N1 136.43(15) 3 16
N1 Eu1 N1 96.97(16) 2 16
N1 Eu1 N1 83.07(5) 13_565 16
N1 Eu1 N1 68.72(16) . 16
N1 Eu1 N1 83.07(5) 14_655 16
O2W Eu1 N1 81.53(15) 4 4
O2W Eu1 N1 130.04(9) 3 4
O2W Eu1 N1 140.57(12) . 4
O2W Eu1 N1 73.96(18) 2 4
O3W Eu1 N1 68.47(13) 4 4
O3W Eu1 N1 78.09(14) 14_655 4
O3W Eu1 N1 59.89(14) 16 4
O3W Eu1 N1 137.66(13) 3 4
O3W Eu1 N1 150.91(13) 15_665 4
O3W Eu1 N1 125.35(13) 13_565 4
O3W Eu1 N1 138.83(13) . 4
O3W Eu1 N1 67.63(15) 2 4
N1 Eu1 N1 136.43(15) 15_665 4
N1 Eu1 N1 139.33(15) 3 4
N1 Eu1 N1 83.07(5) 2 4
N1 Eu1 N1 68.72(16) 13_565 4
N1 Eu1 N1 83.07(5) . 4
N1 Eu1 N1 96.97(16) 14_655 4
N1 Eu1 N1 14.99(16) 16 4
O2W Eu1 O1W 135.5(2) 4 .
O2W Eu1 O1W 135.5(2) 3 .
O2W Eu1 O1W 135.5(2) . .
O2W Eu1 O1W 135.5(2) 2 .
O3W Eu1 O1W 122.38(13) 4 .
O3W Eu1 O1W 122.38(13) 14_655 .
O3W Eu1 O1W 122.38(13) 16 .
O3W Eu1 O1W 122.38(13) 3 .
O3W Eu1 O1W 122.38(13) 15_665 .
O3W Eu1 O1W 122.38(13) 13_565 .
O3W Eu1 O1W 122.38(13) . .
O3W Eu1 O1W 122.38(13) 2 .
N1 Eu1 O1W 69.67(8) 15_665 .
N1 Eu1 O1W 69.67(8) 3 .
N1 Eu1 O1W 69.67(8) 2 .
N1 Eu1 O1W 69.67(8) 13_565 .
N1 Eu1 O1W 69.67(8) . .
N1 Eu1 O1W 69.67(8) 14_655 .
N1 Eu1 O1W 69.67(8) 16 .
N1 Eu1 O1W 69.67(8) 4 .
C1 W1 C1 14.67(18) 11_566 7_456
C1 W1 C1 109.41(18) 11_566 13_575
C1 W1 C1 95.23(5) 7_456 13_575
C1 W1 C1 95.23(5) 11_566 2_565
C1 W1 C1 81.36(17) 7_456 2_565
C1 W1 C1 14.67(18) 13_575 2_565
C1 W1 C1 81.36(17) 11_566 14_655
C1 W1 C1 95.23(5) 7_456 14_655
C1 W1 C1 144.86(18) 13_575 14_655
C1 W1 C1 141.74(18) 2_565 14_655
C1 W1 C1 95.23(5) 11_566 .
C1 W1 C1 109.41(18) 7_456 .
C1 W1 C1 141.74(18) 13_575 .
C1 W1 C1 144.86(18) 2_565 .
C1 W1 C1 14.67(18) 14_655 .
C1 W1 C1 144.86(18) 11_566 12_666
C1 W1 C1 141.74(18) 7_456 12_666
C1 W1 C1 81.36(17) 13_575 12_666
C1 W1 C1 95.23(5) 2_565 12_666
C1 W1 C1 109.41(18) 14_655 12_666
C1 W1 C1 95.23(5) . 12_666
C1 W1 C1 141.74(18) 11_566 8_666
C1 W1 C1 144.86(18) 7_456 8_666
C1 W1 C1 95.23(5) 13_575 8_666
C1 W1 C1 109.41(18) 2_565 8_666
C1 W1 C1 95.23(5) 14_655 8_666
C1 W1 C1 81.36(17) . 8_666
C1 W1 C1 14.67(18) 12_666 8_666
C1 W1 C2 63.51(13) 11_566 13_575
C1 W1 C2 72.94(12) 7_456 13_575
C1 W1 C2 145.17(13) 13_575 13_575
C1 W1 C2 141.75(12) 2_565 13_575
C1 W1 C2 69.86(13) 14_655 13_575
C1 W1 C2 72.01(13) . 13_575
C1 W1 C2 88.25(12) 12_666 13_575
C1 W1 C2 79.44(13) 8_666 13_575
C1 W1 C2 145.17(13) 11_566 11_566
C1 W1 C2 141.75(12) 7_456 11_566
C1 W1 C2 63.51(13) 13_575 11_566
C1 W1 C2 72.94(12) 2_565 11_566
C1 W1 C2 88.25(12) 14_655 11_566
C1 W1 C2 79.44(13) . 11_566
C1 W1 C2 69.86(13) 12_666 11_566
C1 W1 C2 72.01(13) 8_666 11_566
C2 W1 C2 142.14(17) 13_575 11_566
C1 W1 C2 79.44(13) 11_566 2_565
C1 W1 C2 88.25(12) 7_456 2_565
C1 W1 C2 141.75(13) 13_575 2_565
C1 W1 C2 145.17(13) 2_565 2_565
C1 W1 C2 72.01(13) 14_655 2_565
C1 W1 C2 69.86(13) . 2_565
C1 W1 C2 72.94(12) 12_666 2_565
C1 W1 C2 63.51(13) 8_666 2_565
C2 W1 C2 15.99(17) 13_575 2_565
C2 W1 C2 128.55(11) 11_566 2_565
C1 W1 C2 141.75(12) 11_566 7_456
C1 W1 C2 145.17(13) 7_456 7_456
C1 W1 C2 79.44(13) 13_575 7_456
C1 W1 C2 88.25(12) 2_565 7_456
C1 W1 C2 72.94(12) 14_655 7_456
C1 W1 C2 63.51(13) . 7_456
C1 W1 C2 72.01(13) 12_666 7_456
C1 W1 C2 69.86(13) 8_666 7_456
C2 W1 C2 128.55(11) 13_575 7_456
C2 W1 C2 15.99(17) 11_566 7_456
C2 W1 C2 117.19(18) 2_565 7_456
C1 W1 C2 72.01(13) 11_566 8_666
C1 W1 C2 69.86(13) 7_456 8_666
C1 W1 C2 72.94(12) 13_575 8_666
C1 W1 C2 63.51(13) 2_565 8_666
C1 W1 C2 79.44(13) 14_655 8_666
C1 W1 C2 88.25(12) . 8_666
C1 W1 C2 141.75(13) 12_666 8_666
C1 W1 C2 145.17(13) 8_666 8_666
C2 W1 C2 128.55(11) 13_575 8_666
C2 W1 C2 73.43(18) 11_566 8_666
C2 W1 C2 142.14(17) 2_565 8_666
C2 W1 C2 75.73(18) 7_456 8_666
C1 W1 C2 69.86(13) 11_566 12_666
C1 W1 C2 72.01(13) 7_456 12_666
C1 W1 C2 88.25(12) 13_575 12_666
C1 W1 C2 79.44(13) 2_565 12_666
C1 W1 C2 63.51(13) 14_655 12_666
C1 W1 C2 72.94(12) . 12_666
C1 W1 C2 145.17(13) 12_666 12_666
C1 W1 C2 141.75(12) 8_666 12_666
C2 W1 C2 117.19(18) 13_575 12_666
C2 W1 C2 75.73(18) 11_566 12_666
C2 W1 C2 128.55(11) 2_565 12_666
C2 W1 C2 73.43(18) 7_456 12_666
C2 W1 C2 15.99(17) 8_666 12_666
C1 W1 C2 72.94(12) 11_566 .
C1 W1 C2 63.51(13) 7_456 .
C1 W1 C2 72.01(13) 13_575 .
C1 W1 C2 69.86(13) 2_565 .
C1 W1 C2 141.75(13) 14_655 .
C1 W1 C2 145.17(13) . .
C1 W1 C2 79.44(13) 12_666 .
C1 W1 C2 88.25(12) 8_666 .
C2 W1 C2 73.43(18) 13_575 .
C2 W1 C2 128.55(11) 11_566 .
C2 W1 C2 75.73(18) 2_565 .
C2 W1 C2 142.14(17) 7_456 .
C2 W1 C2 117.19(18) 8_666 .
C2 W1 C2 128.55(11) 12_666 .
C1 W1 C2 88.25(12) 11_566 14_655
C1 W1 C2 79.44(13) 7_456 14_655
C1 W1 C2 69.86(13) 13_575 14_655
C1 W1 C2 72.01(13) 2_565 14_655
C1 W1 C2 145.17(13) 14_655 14_655
C1 W1 C2 141.75(12) . 14_655
C1 W1 C2 63.51(13) 12_666 14_655
C1 W1 C2 72.94(12) 8_666 14_655
C2 W1 C2 75.73(18) 13_575 14_655
C2 W1 C2 117.19(18) 11_566 14_655
C2 W1 C2 73.43(18) 2_565 14_655
C2 W1 C2 128.55(11) 7_456 14_655
C2 W1 C2 128.55(11) 8_666 14_655
C2 W1 C2 142.14(17) 12_666 14_655
C2 W1 C2 15.99(17) . 14_655
O3W O2W O3W 51.3(13) 15_665 .
O3W O2W Eu1 87.3(13) 15_665 .
O3W O2W Eu1 87.3(13) . .
O3W O3W O2W 64.3(6) 15_665 .
O3W O3W Eu1 83.84(11) 15_665 .
O2W O3W Eu1 78.4(13) . .
N1 N1 C1 87.3(2) 14_655 .
N1 N1 C1 62.3(2) 14_655 14_655
N1 N1 Eu1 82.51(8) 14_655 .
C1 N1 Eu1 168.9(3) . .
C1 N1 Eu1 144.6(3) 14_655 .
C1 C1 N1 92.7(2) 14_655 .
C1 C1 N1 62.3(2) 14_655 14_655
C1 C1 W1 82.66(9) 14_655 .
N1 C1 W1 175.1(3) . .
N1 C1 W1 145.0(3) 14_655 .
N2 N2 C2 78.7(3) 14_655 .
N2 N2 C2 53.9(2) 14_655 14_655
C2 C2 N2 101.3(3) 14_655 .
C2 C2 N2 53.9(2) 14_655 14_655
N2 C2 N2 47.4(4) . 14_655
C2 C2 W1 82.01(9) 14_655 .
N2 C2 W1 176.7(3) . .
N2 C2 W1 135.9(3) 14_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O2W 2.431(9) 4
Eu1 O2W 2.431(9) 3
Eu1 O2W 2.431(9) .
Eu1 O2W 2.431(9) 2
Eu1 O3W 2.479(6) 4
Eu1 O3W 2.479(6) 14_655
Eu1 O3W 2.479(6) 16
Eu1 O3W 2.479(6) 3
Eu1 O3W 2.479(6) 15_665
Eu1 O3W 2.479(6) 13_565
Eu1 O3W 2.479(6) .
Eu1 O3W 2.479(6) 2
Eu1 N1 2.521(3) 15_665
Eu1 N1 2.521(3) 3
Eu1 N1 2.521(3) 2
Eu1 N1 2.521(3) 13_565
Eu1 N1 2.521(3) .
Eu1 N1 2.521(3) 14_655
Eu1 N1 2.521(3) 16
Eu1 N1 2.521(3) 4
Eu1 O1W 2.528(4) .
W1 C1 2.148(4) 11_566
W1 C1 2.148(4) 7_456
W1 C1 2.148(4) 13_575
W1 C1 2.148(4) 2_565
W1 C1 2.148(4) 14_655
W1 C1 2.148(4) .
W1 C1 2.148(4) 12_666
W1 C1 2.148(4) 8_666
W1 C2 2.154(3) 13_575
W1 C2 2.154(3) 11_566
W1 C2 2.154(3) 2_565
W1 C2 2.154(3) 7_456
W1 C2 2.154(3) 8_666
W1 C2 2.154(3) 12_666
W1 C2 2.154(3) .
W1 C2 2.154(3) 14_655
O2W O3W 0.614(8) 15_665
O2W O3W 0.614(8) .
O3W O3W 0.532(9) 15_665
N1 N1 0.657(7) 14_655
N1 C1 1.152(5) .
N1 C1 1.299(5) 14_655
C1 C1 0.549(7) 14_655
C1 N1 1.299(5) 14_655
N2 N2 1.050(8) 14_655
N2 C2 1.153(5) .
N2 C2 1.400(5) 14_655
C2 C2 0.599(6) 14_655
C2 N2 1.400(5) 14_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2W Eu1 O2W O3W 151.2(6) 4 15_665
O2W Eu1 O2W O3W -99.8(7) 3 15_665
O2W Eu1 O2W O3W -154.3(6) 2 15_665
O3W Eu1 O2W O3W 144.0(8) 4 15_665
O3W Eu1 O2W O3W 135.3(7) 14_655 15_665
O3W Eu1 O2W O3W -160.6(5) 16 15_665
O3W Eu1 O2W O3W -83.9(6) 3 15_665
O3W Eu1 O2W O3W -92.6(5) 13_565 15_665
O3W Eu1 O2W O3W 51.4(13) . 15_665
O3W Eu1 O2W O3W -148.0(7) 2 15_665
N1 Eu1 O2W O3W -23.5(6) 15_665 15_665
N1 Eu1 O2W O3W -10.3(6) 3 15_665
N1 Eu1 O2W O3W -76.3(8) 2 15_665
N1 Eu1 O2W O3W -91.6(8) 13_565 15_665
N1 Eu1 O2W O3W 74.9(7) . 15_665
N1 Eu1 O2W O3W 61.7(7) 14_655 15_665
N1 Eu1 O2W O3W 127.7(5) 16 15_665
N1 Eu1 O2W O3W 143.0(5) 4 15_665
O1W Eu1 O2W O3W 25.7(6) . 15_665
O2W Eu1 O2W O3W 99.8(7) 4 .
O2W Eu1 O2W O3W -151.2(6) 3 .
O2W Eu1 O2W O3W 154.3(6) 2 .
O3W Eu1 O2W O3W 92.6(5) 4 .
O3W Eu1 O2W O3W 83.9(6) 14_655 .
O3W Eu1 O2W O3W 148.0(7) 16 .
O3W Eu1 O2W O3W -135.3(7) 3 .
O3W Eu1 O2W O3W -51.4(13) 15_665 .
O3W Eu1 O2W O3W -144.0(8) 13_565 .
O3W Eu1 O2W O3W 160.6(5) 2 .
N1 Eu1 O2W O3W -74.9(7) 15_665 .
N1 Eu1 O2W O3W -61.7(7) 3 .
N1 Eu1 O2W O3W -127.7(5) 2 .
N1 Eu1 O2W O3W -143.0(5) 13_565 .
N1 Eu1 O2W O3W 23.5(6) . .
N1 Eu1 O2W O3W 10.3(6) 14_655 .
N1 Eu1 O2W O3W 76.3(8) 16 .
N1 Eu1 O2W O3W 91.6(8) 4 .
O1W Eu1 O2W O3W -25.7(6) . .
Eu1 O2W O3W O3W 88.7(6) . 15_665
O3W O2W O3W Eu1 -88.7(6) 15_665 .
O2W Eu1 O3W O3W -137.4(2) 4 15_665
O2W Eu1 O3W O3W -39.20(19) 3 15_665
O2W Eu1 O3W O3W -65.0(6) . 15_665
O2W Eu1 O3W O3W -91.29(4) 2 15_665
O3W Eu1 O3W O3W -147.90(13) 4 15_665
O3W Eu1 O3W O3W -153.59(9) 14_655 15_665
O3W Eu1 O3W O3W -99.53(16) 16 15_665
O3W Eu1 O3W O3W -24.25(9) 3 15_665
O3W Eu1 O3W O3W -30.79(10) 13_565 15_665
O3W Eu1 O3W O3W -86.08(7) 2 15_665
N1 Eu1 O3W O3W 37.58(9) 15_665 15_665
N1 Eu1 O3W O3W 48.83(10) 3 15_665
N1 Eu1 O3W O3W -0.96(17) 2 15_665
N1 Eu1 O3W O3W -13.2(3) 13_565 15_665
N1 Eu1 O3W O3W 140.09(9) . 15_665
N1 Eu1 O3W O3W 126.42(11) 14_655 15_665
N1 Eu1 O3W O3W -179.21(14) 16 15_665
N1 Eu1 O3W O3W -170.3(2) 4 15_665
O1W Eu1 O3W O3W 93.92(7) . 15_665
O2W Eu1 O3W O2W -72.4(8) 4 .
O2W Eu1 O3W O2W 25.8(5) 3 .
O2W Eu1 O3W O2W -26.3(7) 2 .
O3W Eu1 O3W O2W -82.9(6) 4 .
O3W Eu1 O3W O2W -88.6(6) 14_655 .
O3W Eu1 O3W O2W -34.5(8) 16 .
O3W Eu1 O3W O2W 40.7(6) 3 .
O3W Eu1 O3W O2W 65.0(6) 15_665 .
O3W Eu1 O3W O2W 34.2(7) 13_565 .
O3W Eu1 O3W O2W -21.1(6) 2 .
N1 Eu1 O3W O2W 102.6(6) 15_665 .
N1 Eu1 O3W O2W 113.8(7) 3 .
N1 Eu1 O3W O2W 64.0(7) 2 .
N1 Eu1 O3W O2W 51.8(8) 13_565 .
N1 Eu1 O3W O2W -154.9(7) . .
N1 Eu1 O3W O2W -168.6(7) 14_655 .
N1 Eu1 O3W O2W -114.2(6) 16 .
N1 Eu1 O3W O2W -105.3(6) 4 .
O1W Eu1 O3W O2W 158.9(6) . .
O2W Eu1 N1 N1 -118.81(12) 4 14_655
O2W Eu1 N1 N1 -51.2(3) 3 14_655
O2W Eu1 N1 N1 -58.36(15) . 14_655
O2W Eu1 N1 N1 -139.7(3) 2 14_655
O3W Eu1 N1 N1 -132.43(12) 4 14_655
O3W Eu1 N1 N1 -121.73(14) 14_655 14_655
O3W Eu1 N1 N1 -156.86(17) 16 14_655
O3W Eu1 N1 N1 -29.1(2) 3 14_655
O3W Eu1 N1 N1 -44.23(12) 15_665 14_655
O3W Eu1 N1 N1 -33.4(3) 13_565 14_655
O3W Eu1 N1 N1 -52.28(14) . 14_655
O3W Eu1 N1 N1 -156.6(2) 2 14_655
N1 Eu1 N1 N1 21.96(8) 15_665 14_655
N1 Eu1 N1 N1 16.37(6) 3 14_655
N1 Eu1 N1 N1 87.21(3) 2 14_655
N1 Eu1 N1 N1 109.2(2) 13_565 14_655
N1 Eu1 N1 N1 162.53(6) 16 14_655
N1 Eu1 N1 N1 158.05(8) 4 14_655
O1W Eu1 N1 N1 87.21(3) . 14_655
O2W Eu1 N1 C1 -95.1(17) 4 .
O2W Eu1 N1 C1 -27.5(17) 3 .
O2W Eu1 N1 C1 -34.7(17) . .
O2W Eu1 N1 C1 -116.0(17) 2 .
O3W Eu1 N1 C1 -108.7(17) 4 .
O3W Eu1 N1 C1 -98.0(17) 14_655 .
O3W Eu1 N1 C1 -133.2(16) 16 .
O3W Eu1 N1 C1 -5.5(17) 3 .
O3W Eu1 N1 C1 -20.5(16) 15_665 .
O3W Eu1 N1 C1 -9.7(18) 13_565 .
O3W Eu1 N1 C1 -28.6(16) . .
O3W Eu1 N1 C1 -132.9(16) 2 .
N1 Eu1 N1 C1 45.7(17) 15_665 .
N1 Eu1 N1 C1 40.1(17) 3 .
N1 Eu1 N1 C1 110.9(17) 2 .
N1 Eu1 N1 C1 132.9(15) 13_565 .
N1 Eu1 N1 C1 23.7(17) 14_655 .
N1 Eu1 N1 C1 -173.8(16) 16 .
N1 Eu1 N1 C1 -178.3(16) 4 .
O1W Eu1 N1 C1 110.9(17) . .
O2W Eu1 N1 C1 -112.0(5) 4 14_655
O2W Eu1 N1 C1 -44.4(6) 3 14_655
O2W Eu1 N1 C1 -51.5(5) . 14_655
O2W Eu1 N1 C1 -132.9(5) 2 14_655
O3W Eu1 N1 C1 -125.6(5) 4 14_655
O3W Eu1 N1 C1 -114.9(5) 14_655 14_655
O3W Eu1 N1 C1 -150.0(5) 16 14_655
O3W Eu1 N1 C1 -22.3(6) 3 14_655
O3W Eu1 N1 C1 -37.4(5) 15_665 14_655
O3W Eu1 N1 C1 -26.6(6) 13_565 14_655
O3W Eu1 N1 C1 -45.5(5) . 14_655
O3W Eu1 N1 C1 -149.8(5) 2 14_655
N1 Eu1 N1 C1 28.8(5) 15_665 14_655
N1 Eu1 N1 C1 23.2(5) 3 14_655
N1 Eu1 N1 C1 94.0(5) 2 14_655
N1 Eu1 N1 C1 116.0(4) 13_565 14_655
N1 Eu1 N1 C1 6.8(5) 14_655 14_655
N1 Eu1 N1 C1 169.3(4) 16 14_655
N1 Eu1 N1 C1 164.9(4) 4 14_655
O1W Eu1 N1 C1 94.0(5) . 14_655
N1 N1 C1 C1 0.0 14_655 14_655
Eu1 N1 C1 C1 -23.5(16) . 14_655
C1 N1 C1 N1 0.0 14_655 14_655
Eu1 N1 C1 N1 -23.5(16) . 14_655
C1 W1 C1 C1 -19.13(10) 11_566 14_655
C1 W1 C1 C1 -15.29(7) 7_456 14_655
C1 W1 C1 C1 111.8(3) 13_575 14_655
C1 W1 C1 C1 87.66(3) 2_565 14_655
C1 W1 C1 C1 -165.54(7) 12_666 14_655
C1 W1 C1 C1 -160.72(9) 8_666 14_655
C2 W1 C1 C1 -79.09(10) 13_575 14_655
C2 W1 C1 C1 126.10(9) 11_566 14_655
C2 W1 C1 C1 -95.86(10) 2_565 14_655
C2 W1 C1 C1 127.54(11) 7_456 14_655
C2 W1 C1 C1 52.63(9) 8_666 14_655
C2 W1 C1 C1 47.93(10) 12_666 14_655
C2 W1 C1 C1 -86.5(2) . 14_655
C2 W1 C1 C1 -112.94(18) 14_655 14_655
C1 W1 C1 N1 -16.6(4) 11_566 14_655
C1 W1 C1 N1 -12.7(4) 7_456 14_655
C1 W1 C1 N1 114.3(5) 13_575 14_655
C1 W1 C1 N1 90.2(5) 2_565 14_655
C1 W1 C1 N1 2.6(5) 14_655 14_655
C1 W1 C1 N1 -163.0(6) 12_666 14_655
C1 W1 C1 N1 -158.2(6) 8_666 14_655
C2 W1 C1 N1 -76.5(5) 13_575 14_655
C2 W1 C1 N1 128.7(5) 11_566 14_655
C2 W1 C1 N1 -93.3(5) 2_565 14_655
C2 W1 C1 N1 130.1(5) 7_456 14_655
C2 W1 C1 N1 55.2(5) 8_666 14_655
C2 W1 C1 N1 50.5(5) 12_666 14_655
C2 W1 C1 N1 -84.0(5) . 14_655
C2 W1 C1 N1 -110.4(5) 14_655 14_655
N2 N2 C2 C2 0.0 14_655 14_655
C2 N2 C2 N2 0.0 14_655 14_655
C1 W1 C2 C2 -162.72(10) 11_566 14_655
C1 W1 C2 C2 -174.84(10) 7_456 14_655
C1 W1 C2 C2 79.56(10) 13_575 14_655
C1 W1 C2 C2 94.92(10) 2_565 14_655
C1 W1 C2 C2 -112.73(19) 14_655 14_655
C1 W1 C2 C2 -88.6(2) . 14_655
C1 W1 C2 C2 -4.69(9) 12_666 14_655
C1 W1 C2 C2 -16.51(9) 8_666 14_655
C2 W1 C2 C2 -96.01(7) 13_575 14_655
C2 W1 C2 C2 48.69(12) 11_566 14_655
C2 W1 C2 C2 -79.60(11) 2_565 14_655
C2 W1 C2 C2 36.58(4) 7_456 14_655
C2 W1 C2 C2 138.67(4) 8_666 14_655
C2 W1 C2 C2 152.11(11) 12_666 14_655
C1 W1 C2 N2 -163.0(4) 11_566 14_655
C1 W1 C2 N2 -175.2(4) 7_456 14_655
C1 W1 C2 N2 79.2(4) 13_575 14_655
C1 W1 C2 N2 94.6(4) 2_565 14_655
C1 W1 C2 N2 -113.1(4) 14_655 14_655
C1 W1 C2 N2 -89.0(4) . 14_655
C1 W1 C2 N2 -5.0(4) 12_666 14_655
C1 W1 C2 N2 -16.8(4) 8_666 14_655
C2 W1 C2 N2 -96.3(4) 13_575 14_655
C2 W1 C2 N2 48.4(4) 11_566 14_655
C2 W1 C2 N2 -79.9(4) 2_565 14_655
C2 W1 C2 N2 36.3(4) 7_456 14_655
C2 W1 C2 N2 138.3(4) 8_666 14_655
C2 W1 C2 N2 151.8(4) 12_666 14_655
C2 W1 C2 N2 -0.3(4) 14_655 14_655
