#------------------------------------------------------------------------------
#$Date: 2018-10-25 02:49:44 +0300 (Thu, 25 Oct 2018) $
#$Revision: 211611 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/16/7231689.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_7231689
loop_
_publ_author_name
'Wang, Li'
'Zhang, Ruilian'
'Han, Qing-Xin'
'Xu, Cong'
'Chen, Wan-Min'
'Yang, Huan'
'Gao, Guoshu'
'Qin, Wenwu'
'Liu, Wei-Sheng'
_publ_section_title
;
 Amide-functionalized heterometallic helicate cages as highly efficient
 catalysts for CO2 conversion under mild condition
;
_journal_name_full               'Green Chemistry'
_journal_paper_doi               10.1039/C8GC02645A
_journal_year                    2018
_chemical_formula_moiety         'C102 H108 Eu4 N18 O42 Zn3, 6(C2 H3 N)'
_chemical_formula_sum            'C114 H126 Eu4 N24 O42 Zn3'
_chemical_formula_weight         3308.33
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c'
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2018-05-12
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2018-05-12 deposited with the CCDC.
2018-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   17.8497(5)
_cell_length_b                   17.8497(5)
_cell_length_c                   68.762(2)
_cell_measurement_reflns_used    10511
_cell_measurement_temperature    290.83(10)
_cell_measurement_theta_max      24.7600
_cell_measurement_theta_min      3.4970
_cell_volume                     18973.2(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      290.83(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -1.00   87.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   57.0000   90.0000 88

#__ type_ start__ end____ width___ exp.time_
  2 omega   61.00   91.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   77.0000    0.0000 30

#__ type_ start__ end____ width___ exp.time_
  3 omega   39.00   83.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291  178.0000 -120.0000 44

#__ type_ start__ end____ width___ exp.time_
  4 omega   -3.00   93.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291   38.0000    0.0000 96

#__ type_ start__ end____ width___ exp.time_
  5 omega  -18.00    9.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1479  -99.0000  -30.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -40.00   35.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       20.4291  -57.0000 -150.0000 75

#__ type_ start__ end____ width___ exp.time_
  7 omega  -20.00    8.00   1.0000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1479  -99.0000  120.0000 28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0166591000
_diffrn_orient_matrix_UB_12      0.0011375000
_diffrn_orient_matrix_UB_13      -0.0092940000
_diffrn_orient_matrix_UB_21      0.0082059000
_diffrn_orient_matrix_UB_22      0.0425139000
_diffrn_orient_matrix_UB_23      0.0018980000
_diffrn_orient_matrix_UB_31      0.0419540000
_diffrn_orient_matrix_UB_32      0.0172320000
_diffrn_orient_matrix_UB_33      -0.0040564000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710
_diffrn_reflns_av_R_equivalents  0.1035
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       84
_diffrn_reflns_limit_l_min       -51
_diffrn_reflns_number            42103
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.214
_diffrn_reflns_theta_max         25.993
_diffrn_reflns_theta_min         3.496
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.606
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_F_000             9936
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.800
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4145
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0825
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0261P)²+230.4551P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.1021
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2609
_reflns_number_total             4145
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8gc02645a2.cif
_cod_data_source_block           l-zneu
_cod_original_cell_volume        18973.1(12)
_cod_database_code               7231689
_shelxl_version_number           2013-2
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C18) \\sim Ueq, Uanis(N4) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O5(H5A,H5B)
3.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
3.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C14(H14), C17(H17), C13(H13), C10(H10)
3.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C19(H19A,H19B,H19C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'y, x, -z+1/2'
'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'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'y+2/3, x+1/3, -z+5/6'
'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'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'y+1/3, x+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-y, -x, z-1/2'
'-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'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-y+2/3, -x+1/3, z-1/6'
'-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'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-y+1/3, -x+2/3, z+1/6'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.6667 0.3333 0.48446(2) 0.02109(14) Uani 1 3 d S T P
Eu2 Eu 0.6667 0.3333 0.53634(2) 0.02173(14) Uani 1 3 d S T P
Zn1 Zn 0.6667 0.57893(6) 0.5833 0.0321(3) Uani 1 2 d S T P
O1 O 0.6972(3) 0.2471(3) 0.46088(7) 0.0471(13) Uani 1 1 d . . .
O5 O 0.5609(3) 0.3190(3) 0.56105(7) 0.0426(12) Uani 1 1 d . . .
H5A H 0.5680 0.3688 0.5636 0.064 Uiso 1 1 d GR . .
H5B H 0.5685 0.2970 0.5713 0.064 Uiso 1 1 d GR . .
O2 O 0.8088(3) 0.3383(3) 0.47704(7) 0.0362(11) Uani 1 1 d . . .
O4 O 0.6460(3) 0.4603(3) 0.53693(6) 0.0316(10) Uani 1 1 d . . .
O6 O 0.5628(3) 0.4749(3) 0.58997(8) 0.0445(13) Uani 1 1 d . . .
C8 C 0.6911(4) 0.6331(4) 0.53282(10) 0.0359(16) Uani 1 1 d . . .
H8A H 0.7242 0.6732 0.5225 0.043 Uiso 1 1 calc R . .
H8B H 0.7278 0.6146 0.5391 0.043 Uiso 1 1 calc R . .
N2 N 0.6156(3) 0.5583(3) 0.52456(8) 0.0329(13) Uani 1 1 d . . .
H2 H 0.5814 0.5673 0.5174 0.039 Uiso 1 1 calc R . .
C9 C 0.6638(4) 0.6786(4) 0.54765(10) 0.0375(17) Uani 1 1 d . . .
H9A H 0.7147 0.7279 0.5531 0.045 Uiso 1 1 calc R . .
H9B H 0.6293 0.6995 0.5413 0.045 Uiso 1 1 calc R . .
C16 C 0.2351(5) 0.4567(7) 0.59069(14) 0.085(3) Uani 1 1 d . . .
H16A H 0.2079 0.4381 0.5782 0.127 Uiso 1 1 calc GR . .
H16B H 0.2428 0.5126 0.5937 0.127 Uiso 1 1 calc GR . .
H16C H 0.1993 0.4160 0.6004 0.127 Uiso 1 1 calc GR . .
O7 O 0.8171(3) 0.2442(3) 0.45844(8) 0.0529(14) Uani 1 1 d . . .
C3 C 0.4368(4) 0.4138(4) 0.52219(9) 0.0303(15) Uani 1 1 d . . .
H3 H 0.4410 0.4640 0.5273 0.036 Uiso 1 1 calc R . .
C4 C 0.3568(4) 0.3466(4) 0.51663(9) 0.0316(15) Uani 1 1 d . . .
H4 H 0.3072 0.3506 0.5185 0.038 Uiso 1 1 calc R . .
N1 N 0.7764(4) 0.2762(4) 0.46512(8) 0.0366(14) Uani 1 1 d . . .
C5 C 0.3510(4) 0.2733(4) 0.50830(10) 0.0357(16) Uani 1 1 d . . .
H5 H 0.2974 0.2281 0.5044 0.043 Uiso 1 1 calc R . .
N3 N 0.6132(3) 0.6183(3) 0.56329(8) 0.0306(12) Uani 1 1 d . . .
C7 C 0.5964(4) 0.4773(4) 0.52747(9) 0.0274(14) Uani 1 1 d . . .
C11 C 0.4704(4) 0.5272(4) 0.57759(9) 0.0326(14) Uani 1 1 d . . .
C6 C 0.4241(4) 0.2667(4) 0.50565(10) 0.0322(16) Uani 1 1 d . . .
H6 H 0.4193 0.2176 0.4997 0.039 Uiso 1 1 calc R . .
C2 C 0.5117(4) 0.4076(4) 0.52024(9) 0.0260(14) Uani 1 1 d . . .
C15 C 0.3224(5) 0.4617(6) 0.59029(12) 0.059(2) Uani 1 1 d . . .
C14 C 0.3400(5) 0.4084(6) 0.60173(12) 0.060(2) Uani 1 1 d . . .
H14 H 0.2966 0.3678 0.6097 0.071 Uiso 1 1 calc R . .
C12 C 0.4871(4) 0.4727(4) 0.58964(10) 0.0343(16) Uani 1 1 d . . .
C17 C 0.3877(5) 0.5197(5) 0.57838(11) 0.049(2) Uani 1 1 d . . .
H17 H 0.3770 0.5556 0.5705 0.059 Uiso 1 1 calc R . .
C13 C 0.4195(4) 0.4137(5) 0.60171(11) 0.047(2) Uani 1 1 d . . .
H13 H 0.4288 0.3775 0.6098 0.057 Uiso 1 1 calc R . .
C1 C 0.5049(4) 0.3322(4) 0.51172(8) 0.0222(13) Uani 1 1 d . . .
O3 O 0.5752(2) 0.3253(2) 0.50955(6) 0.0264(10) Uani 1 1 d . . .
C10 C 0.5320(4) 0.5903(4) 0.56406(10) 0.0345(16) Uani 1 1 d . . .
H10 H 0.5100 0.6128 0.5550 0.041 Uiso 1 1 calc R . .
N4 N 0.1110(11) 0.1942(11) 0.5185(3) 0.207(7) Uani 1 1 d . U .
C18 C 0.1350(10) 0.1487(11) 0.5245(2) 0.133(5) Uani 1 1 d . U .
C19 C 0.1661(10) 0.0857(9) 0.5321(2) 0.153(6) Uani 1 1 d . U .
H19A H 0.1486 0.0387 0.5232 0.230 Uiso 1 1 calc GR . .
H19B H 0.1406 0.0634 0.5446 0.230 Uiso 1 1 calc GR . .
H19C H 0.2280 0.1166 0.5333 0.230 Uiso 1 1 calc GR . .
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'
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'
Zn Zn 0.2839 1.4301 '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
O1 Eu1 O1 81.77(19) . 2_655
O1 Eu1 O1 81.77(19) . 3_665
O1 Eu1 O1 81.77(19) 2_655 3_665
O1 Eu1 O2 126.21(17) 2_655 3_665
O1 Eu1 O2 126.21(17) . 2_655
O1 Eu1 O2 50.62(14) 2_655 2_655
O1 Eu1 O2 50.61(14) . .
O1 Eu1 O2 69.52(15) . 3_665
O1 Eu1 O2 126.21(17) 3_665 .
O1 Eu1 O2 69.52(15) 3_665 2_655
O1 Eu1 O2 50.62(14) 3_665 3_665
O1 Eu1 O2 69.52(15) 2_655 .
O1 Eu1 N1 75.75(15) 2_655 .
O1 Eu1 N1 75.75(15) . 3_665
O1 Eu1 N1 105.10(17) 2_655 3_665
O1 Eu1 N1 25.38(15) 3_665 3_665
O1 Eu1 N1 75.75(15) 3_665 2_655
O1 Eu1 N1 25.38(15) 2_655 2_655
O1 Eu1 N1 25.38(15) . .
O1 Eu1 N1 105.11(17) . 2_655
O1 Eu1 N1 105.10(17) 3_665 .
O2 Eu1 O2 116.09(7) . 3_665
O2 Eu1 O2 116.09(7) 3_665 2_655
O2 Eu1 O2 116.09(7) . 2_655
O2 Eu1 N1 92.24(14) . 2_655
O2 Eu1 N1 126.34(14) 2_655 .
O2 Eu1 N1 126.34(14) . 3_665
O2 Eu1 N1 25.34(14) 2_655 2_655
O2 Eu1 N1 25.34(14) 3_665 3_665
O2 Eu1 N1 25.33(14) . .
O2 Eu1 N1 92.25(14) 3_665 .
O2 Eu1 N1 92.25(14) 2_655 3_665
O2 Eu1 N1 126.34(14) 3_665 2_655
N1 Eu1 N1 101.12(14) . 2_655
N1 Eu1 N1 101.12(14) . 3_665
N1 Eu1 N1 101.11(14) 3_665 2_655
O3 Eu1 O1 89.11(16) . 3_665
O3 Eu1 O1 144.24(15) . .
O3 Eu1 O1 131.18(15) 2_655 3_665
O3 Eu1 O1 89.11(16) 2_655 .
O3 Eu1 O1 131.18(14) 3_665 .
O3 Eu1 O1 144.24(15) 2_655 2_655
O3 Eu1 O1 131.18(14) . 2_655
O3 Eu1 O1 89.11(16) 3_665 2_655
O3 Eu1 O1 144.24(14) 3_665 3_665
O3 Eu1 O2 77.97(14) 2_655 .
O3 Eu1 O2 81.22(14) 3_665 .
O3 Eu1 O2 81.22(14) . 2_655
O3 Eu1 O2 77.97(14) 3_665 2_655
O3 Eu1 O2 143.72(15) 2_655 2_655
O3 Eu1 O2 81.22(14) 2_655 3_665
O3 Eu1 O2 143.72(15) 3_665 3_665
O3 Eu1 O2 143.73(15) . .
O3 Eu1 O2 77.97(14) . 3_665
O3 Eu1 N1 81.29(14) 2_655 .
O3 Eu1 N1 105.96(15) 3_665 .
O3 Eu1 N1 81.29(15) . 3_665
O3 Eu1 N1 151.83(14) 3_665 3_665
O3 Eu1 N1 105.96(15) 2_655 3_665
O3 Eu1 N1 151.83(15) 2_655 2_655
O3 Eu1 N1 81.29(15) 3_665 2_655
O3 Eu1 N1 151.83(14) . .
O3 Eu1 N1 105.96(15) . 2_655
O3 Eu1 O3 71.20(15) . 3_665
O3 Eu1 O3 71.21(15) 2_655 .
O3 Eu1 O3 71.20(15) 2_655 3_665
O5 Eu2 Eu1 133.76(12) 2_655 .
O5 Eu2 Eu1 133.76(12) 3_665 .
O5 Eu2 Eu1 133.76(12) . .
O5 Eu2 O5 77.44(18) 2_655 3_665
O5 Eu2 O5 77.44(18) 2_655 .
O5 Eu2 O5 77.44(18) . 3_665
O5 Eu2 O4 67.96(15) . .
O5 Eu2 O4 67.96(15) 2_655 2_655
O5 Eu2 O4 135.31(16) 3_665 2_655
O5 Eu2 O4 68.31(14) 3_665 .
O5 Eu2 O4 68.31(14) 2_655 3_665
O5 Eu2 O4 67.96(15) 3_665 3_665
O5 Eu2 O4 135.30(16) 2_655 .
O5 Eu2 O4 135.31(16) . 3_665
O5 Eu2 O4 68.31(14) . 2_655
O4 Eu2 Eu1 90.93(10) 3_665 .
O4 Eu2 Eu1 90.93(10) 2_655 .
O4 Eu2 Eu1 90.94(10) . .
O4 Eu2 O4 119.974(6) 3_665 2_655
O4 Eu2 O4 119.972(8) 3_665 .
O4 Eu2 O4 119.975(7) 2_655 .
O3 Eu2 Eu1 40.38(10) . .
O3 Eu2 Eu1 40.38(10) 3_665 .
O3 Eu2 Eu1 40.38(10) 2_655 .
O3 Eu2 O5 137.93(14) 2_655 .
O3 Eu2 O5 93.41(15) . .
O3 Eu2 O5 141.15(14) 2_655 3_665
O3 Eu2 O5 93.41(16) 3_665 3_665
O3 Eu2 O5 141.16(15) . 2_655
O3 Eu2 O5 137.93(13) 3_665 2_655
O3 Eu2 O5 137.93(13) . 3_665
O3 Eu2 O5 93.41(15) 2_655 2_655
O3 Eu2 O5 141.16(14) 3_665 .
O3 Eu2 O4 73.55(14) 2_655 3_665
O3 Eu2 O4 73.55(14) . 2_655
O3 Eu2 O4 70.19(13) . .
O3 Eu2 O4 131.26(14) 2_655 .
O3 Eu2 O4 131.25(14) 3_665 2_655
O3 Eu2 O4 70.19(14) 2_655 2_655
O3 Eu2 O4 131.25(14) . 3_665
O3 Eu2 O4 73.55(14) 3_665 .
O3 Eu2 O4 70.19(13) 3_665 3_665
O3 Eu2 O3 68.26(15) 2_655 3_665
O3 Eu2 O3 68.26(15) 2_655 .
O3 Eu2 O3 68.26(15) 3_665 .
O6 Zn1 O6 121.8(3) 17_655 .
O6 Zn1 N3 118.1(2) . 17_655
O6 Zn1 N3 118.1(2) 17_655 .
O6 Zn1 N3 96.0(2) 17_655 17_655
O6 Zn1 N3 96.0(2) . .
N3 Zn1 N3 107.4(3) 17_655 .
N1 O1 Eu1 98.1(4) . .
Eu2 O5 H5A 109.3 . .
Eu2 O5 H5B 109.3 . .
H5A O5 H5B 109.4 . .
N1 O2 Eu1 95.1(3) . .
C7 O4 Eu2 131.4(4) . .
C12 O6 Zn1 120.1(4) . .
H8A C8 H8B 108.1 . .
N2 C8 H8A 109.5 . .
N2 C8 H8B 109.5 . .
N2 C8 C9 110.6(5) . .
C9 C8 H8A 109.5 . .
C9 C8 H8B 109.5 . .
C8 N2 H2 118.1 . .
C7 N2 C8 123.9(5) . .
C7 N2 H2 118.1 . .
C8 C9 H9A 109.7 . .
C8 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
N3 C9 C8 110.0(5) . .
N3 C9 H9A 109.7 . .
N3 C9 H9B 109.7 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
C4 C3 H3 119.4 . .
C4 C3 C2 121.1(6) . .
C2 C3 H3 119.4 . .
C3 C4 H4 120.3 . .
C3 C4 C5 119.4(6) . .
C5 C4 H4 120.3 . .
O1 N1 Eu1 56.5(3) . .
O2 N1 Eu1 59.6(3) . .
O2 N1 O1 115.8(5) . .
O7 N1 Eu1 172.5(5) . .
O7 N1 O1 121.6(6) . .
O7 N1 O2 122.6(6) . .
C4 C5 H5 119.7 . .
C6 C5 C4 120.6(6) . .
C6 C5 H5 119.7 . .
C9 N3 Zn1 122.5(4) . .
C10 N3 Zn1 118.9(5) . .
C10 N3 C9 118.6(6) . .
O4 C7 N2 121.0(6) . .
O4 C7 C2 121.3(5) . .
N2 C7 C2 117.6(5) . .
C12 C11 C10 124.7(6) . .
C17 C11 C12 118.7(6) . .
C17 C11 C10 116.6(6) . .
C5 C6 H6 119.5 . .
C5 C6 C1 121.0(6) . .
C1 C6 H6 119.5 . .
C3 C2 C7 121.0(6) . .
C3 C2 C1 118.9(6) . .
C1 C2 C7 120.1(5) . .
C14 C15 C16 121.9(8) . .
C17 C15 C16 121.0(8) . .
C17 C15 C14 117.1(7) . .
C15 C14 H14 118.9 . .
C13 C14 C15 122.2(7) . .
C13 C14 H14 118.9 . .
O6 C12 C11 123.2(6) . .
O6 C12 C13 119.4(6) . .
C13 C12 C11 117.4(6) . .
C11 C17 H17 118.5 . .
C15 C17 C11 123.1(7) . .
C15 C17 H17 118.5 . .
C14 C13 C12 121.4(7) . .
C14 C13 H13 119.3 . .
C12 C13 H13 119.3 . .
C6 C1 C2 118.9(5) . .
O3 C1 C6 121.1(6) . .
O3 C1 C2 120.0(5) . .
Eu1 O3 Eu2 97.38(14) . .
C1 O3 Eu1 137.9(4) . .
C1 O3 Eu2 123.4(4) . .
N3 C10 C11 127.0(6) . .
N3 C10 H10 116.5 . .
C11 C10 H10 116.5 . .
N4 C18 C19 179(2) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.477(4) .
Eu1 O1 2.477(5) 2_655
Eu1 O1 2.477(5) 3_665
Eu1 O2 2.545(4) 2_655
Eu1 O2 2.545(4) .
Eu1 O2 2.545(4) 3_665
Eu1 N1 2.940(6) 3_665
Eu1 N1 2.940(6) 2_655
Eu1 N1 2.940(6) .
Eu1 O3 2.330(4) 3_665
Eu1 O3 2.330(4) .
Eu1 O3 2.330(4) 2_655
Eu2 O5 2.457(4) .
Eu2 O5 2.457(4) 3_665
Eu2 O5 2.457(4) 2_655
Eu2 O4 2.472(4) 3_665
Eu2 O4 2.472(4) 2_655
Eu2 O4 2.472(4) .
Eu2 O3 2.418(4) 3_665
Eu2 O3 2.418(4) .
Eu2 O3 2.418(4) 2_655
Zn1 O6 1.910(4) 17_655
Zn1 O6 1.910(4) .
Zn1 N3 1.993(5) 17_655
Zn1 N3 1.994(5) .
O1 N1 1.273(7) .
O5 H5A 0.8506 .
O5 H5B 0.8512 .
O2 N1 1.263(7) .
O4 C7 1.252(7) .
O6 C12 1.332(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 N2 1.456(8) .
C8 C9 1.527(9) .
N2 H2 0.8600 .
N2 C7 1.325(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 N3 1.469(8) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C16 C15 1.515(10) .
O7 N1 1.217(7) .
C3 H3 0.9300 .
C3 C4 1.383(9) .
C3 C2 1.402(8) .
C4 H4 0.9300 .
C4 C5 1.384(9) .
C5 H5 0.9300 .
C5 C6 1.379(8) .
N3 C10 1.276(8) .
C7 C2 1.484(8) .
C11 C12 1.418(8) .
C11 C17 1.415(9) .
C11 C10 1.451(9) .
C6 H6 0.9300 .
C6 C1 1.392(8) .
C2 C1 1.416(8) .
C15 C14 1.386(11) .
C15 C17 1.377(10) .
C14 H14 0.9300 .
C14 C13 1.374(10) .
C12 C13 1.409(9) .
C17 H17 0.9300 .
C13 H13 0.9300 .
C1 O3 1.329(6) .
C10 H10 0.9300 .
N4 C18 1.166(18) .
C18 C19 1.573(19) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
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
Eu1 O1 N1 O2 -6.6(6)
Eu1 O1 N1 O7 171.4(5)
Eu1 O2 N1 O1 6.4(6)
Eu1 O2 N1 O7 -171.6(5)
Eu2 O4 C7 N2 -155.0(4)
Eu2 O4 C7 C2 29.1(9)
Zn1 O6 C12 C11 26.8(9)
Zn1 O6 C12 C13 -153.4(5)
Zn1 N3 C10 C11 -3.9(9)
O4 C7 C2 C3 135.2(7)
O4 C7 C2 C1 -43.0(9)
O6 C12 C13 C14 -179.4(7)
C8 N2 C7 O4 -3.8(10)
C8 N2 C7 C2 172.2(6)
C8 C9 N3 Zn1 71.9(6)
C8 C9 N3 C10 -108.2(7)
N2 C8 C9 N3 58.9(7)
N2 C7 C2 C3 -40.9(9)
N2 C7 C2 C1 141.0(6)
C9 C8 N2 C7 -113.2(7)
C9 N3 C10 C11 176.2(6)
C16 C15 C14 C13 -178.8(9)
C16 C15 C17 C11 179.6(8)
C3 C4 C5 C6 0.4(10)
C3 C2 C1 C6 -0.3(9)
C3 C2 C1 O3 179.4(5)
C4 C3 C2 C7 -175.7(6)
C4 C3 C2 C1 2.4(9)
C4 C5 C6 C1 1.7(10)
C5 C6 C1 C2 -1.8(9)
C5 C6 C1 O3 178.6(6)
C7 C2 C1 C6 177.9(6)
C7 C2 C1 O3 -2.5(9)
C11 C12 C13 C14 0.5(11)
C6 C1 O3 Eu1 74.4(7)
C6 C1 O3 Eu2 -122.1(5)
C2 C3 C4 C5 -2.5(10)
C2 C1 O3 Eu1 -105.2(6)
C2 C1 O3 Eu2 58.3(7)
C15 C14 C13 C12 -1.4(13)
C14 C15 C17 C11 -0.7(13)
C12 C11 C17 C15 -0.2(12)
C12 C11 C10 N3 -13.8(11)
C17 C11 C12 O6 -179.9(7)
C17 C11 C12 C13 0.3(10)
C17 C11 C10 N3 167.0(7)
C17 C15 C14 C13 1.5(13)
C10 C11 C12 O6 1.0(11)
C10 C11 C12 C13 -178.8(6)
C10 C11 C17 C15 179.0(7)
