#------------------------------------------------------------------------------
#$Date: 2015-12-03 15:08:33 +0200 (Thu, 03 Dec 2015) $
#$Revision: 170687 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/80/7118091.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_7118091
loop_
_publ_author_name
'Xinping Lin'
'Yahui Hong'
'Chao Zhang'
'Ruiyun Huang'
'Cheng Wang'
'Wenbin Lin'
_publ_section_title
;
 Pre-concentration and energy transfer enable the efficient luminescence
 sensing of transition metal ions by metal-organic frameworks
;
_journal_name_full               Chem.Commun.
_journal_page_first              16996
_journal_paper_doi               10.1039/C5cc06453H
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C36 Eu2 N6 O15, 2(O1)'
_chemical_formula_sum            'C36 Eu2 N6 O17'
_chemical_formula_weight         1092.34
_chemical_name_systematic        Eu-bpydc
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     direct
_audit_creation_date             2015-07-31
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-07-31 deposited with the CCDC.
2015-09-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.014(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.238(2)
_cell_length_b                   14.1876(15)
_cell_length_c                   16.8586(11)
_cell_measurement_temperature    100
_cell_volume                     6214.4(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Agilent micro-focus'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_unetI/netI     0.1336
_diffrn_reflns_laue_measured_fraction_full 0.995
_diffrn_reflns_laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25407
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.398
_exptl_absorpt_coefficient_mu    2.052
_exptl_absorpt_correction_T_max  0.8210
_exptl_absorpt_correction_T_min  0.4939
_exptl_absorpt_correction_type   empirical
_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    1.168
_exptl_crystal_description       needle
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.708
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         10883
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1507
_refine_ls_R_factor_gt           0.0870
_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)+(0.1161P)²+51.3532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2294
_refine_ls_wR_factor_ref         0.2762
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                6271
_reflns_number_total             10883
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc06453h21.cif
_cod_data_source_block           p
_cod_original_cell_volume        6214.3(9)
_cod_database_code               7118091
_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.
;
_shelx_estimated_absorpt_t_max   0.821
_shelx_estimated_absorpt_t_min   0.494
_olex2_refinement_description
;
1. Others
 Sof(C5B)=1-FVAR(1)
 Sof(C5A)=FVAR(1)
 Sof(C6B)=1-FVAR(2)
 Sof(C6A)=FVAR(2)
 Sof(C17B)=1-FVAR(3)
 Sof(C17A)=FVAR(3)
 Sof(C18B)=1-FVAR(4)
 Sof(C18A)=FVAR(4)
 Sof(C22B)=1-FVAR(5)
 Sof(C22A)=FVAR(5)
 Sof(C23B)=1-FVAR(6)
 Sof(C23A)=FVAR(6)
 Sof(C34B)=1-FVAR(7)
 Sof(C34A)=FVAR(7)
 Sof(C35B)=1-FVAR(8)
 Sof(C35A)=FVAR(8)
 Sof(C36B)=1-FVAR(9)
 Sof(C36A)=FVAR(9)
 Sof(N1B)=1-FVAR(10)
 Sof(N1A)=FVAR(10)
 Sof(N2B)=1-FVAR(11)
 Sof(N2A)=FVAR(11)
 Sof(N6B)=1-FVAR(12)
 Sof(N6A)=FVAR(12)
 Sof(C33B)=1-FVAR(13)
 Sof(C33A)=FVAR(13)
 Sof(C8B)=1-FVAR(14)
 Sof(C8A)=FVAR(14)
 Sof(C3B)=1-FVAR(15)
 Sof(C3A)=FVAR(15)
 Sof(O10B)=1-FVAR(16)
 Sof(O10A)=FVAR(16)
 Sof(C32B)=1-FVAR(17)
 Sof(C32A)=FVAR(17)
 Sof(O10)=1-FVAR(18)
 Sof(O13)=FVAR(18)
 Sof(O16B)=1-FVAR(19)
 Sof(O16A)=FVAR(19)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3389(6) 0.3839(11) 0.1924(8) 0.042(3) Uani 1 1 d . . . . .
C2 C 0.3932(6) 0.4131(13) 0.1814(8) 0.054(4) Uani 1 1 d . . . . .
C3B C 0.4131(13) 0.381(4) 0.118(2) 0.046(11) Uiso 0.59(11) 1 d . . P A 2
C4 C 0.4892(6) 0.4734(14) 0.1656(8) 0.060(5) Uani 1 1 d . . . . .
C5B C 0.4785(13) 0.459(3) 0.2338(15) 0.030(11) Uiso 0.46(6) 1 d . . P A 2
C6B C 0.4325(18) 0.428(4) 0.241(2) 0.053(16) Uiso 0.42(8) 1 d . . P A 2
C7 C 0.4603(6) 0.0169(15) 0.3431(9) 0.065(5) Uani 1 1 d . . . . .
C8B C 0.4344(10) -0.030(3) 0.3959(17) 0.014(11) Uiso 0.45(9) 1 d . . P B 2
C9 C 0.3932(6) 0.0291(15) 0.4155(10) 0.072(6) Uani 1 1 d . . . . .
C10 C 0.3695(6) 0.0980(13) 0.3667(7) 0.053(4) Uani 1 1 d . . . . .
C11 C 0.3939(7) 0.1274(17) 0.3035(9) 0.081(7) Uani 1 1 d . . . . .
C12 C 0.3211(6) 0.1473(11) 0.3846(8) 0.048(4) Uani 1 1 d . . . . .
C13 C 0.1709(6) 0.1865(10) 0.3421(8) 0.041(4) Uani 1 1 d . . . . .
C14 C 0.1239(6) 0.1299(13) 0.3401(8) 0.056(4) Uani 1 1 d . . . . .
C15 C 0.1145(6) 0.0789(13) 0.4082(8) 0.057(4) Uani 1 1 d . . . . .
C16 C 0.0347(6) 0.0285(15) 0.3362(8) 0.068(5) Uani 1 1 d . . . . .
C17B C 0.0522(12) 0.045(3) 0.2664(14) 0.026(11) Uiso 0.46(7) 1 d . . P C 2
C18B C 0.0932(13) 0.103(3) 0.2696(16) 0.052(11) Uiso 0.60(9) 1 d . . P C 2
C19 C 0.0152(6) 0.0176(14) 0.6627(8) 0.065(5) Uani 1 1 d . . . . .
C20 C 0.0699(6) 0.1133(13) 0.5974(9) 0.057(4) Uani 1 1 d . . . . .
C21 C 0.1100(6) 0.0956(11) 0.6555(8) 0.048(4) Uani 1 1 d . . . . .
C22B C 0.1055(17) 0.016(4) 0.716(2) 0.051(14) Uiso 0.48(10) 1 d . . P D 2
C23B C 0.0573(12) -0.020(3) 0.7166(16) 0.019(12) Uiso 0.41(7) 1 d . . P D 2
C24 C 0.1639(5) 0.1254(11) 0.6481(7) 0.042(3) Uani 1 1 d . . . . .
C25 C 0.1742(6) 0.3876(11) 0.4578(9) 0.045(4) Uani 1 1 d . . . . .
C26 C 0.1231(6) 0.4220(12) 0.4742(8) 0.050(4) Uani 1 1 d . . . . .
C27 C 0.0999(6) 0.3855(13) 0.5363(9) 0.055(4) Uani 1 1 d . . . . .
C28 C 0.0262(6) 0.4824(12) 0.4964(8) 0.053(4) Uani 1 1 d . . . . .
C29 C 0.0491(6) 0.5210(12) 0.4363(8) 0.052(4) Uani 1 1 d . . . . .
C30 C 0.0961(7) 0.4888(13) 0.4267(9) 0.069(5) Uani 1 1 d . . . . .
C31 C 0.3317(6) 0.3415(14) 0.5025(9) 0.061(5) Uani 1 1 d . . . . .
C32B C 0.3854(9) 0.375(3) 0.5069(12) 0.042(8) Uiso 0.69(8) 1 d . . P E 2
C33B C 0.4010(15) 0.416(4) 0.4358(17) 0.045(13) Uiso 0.52(9) 1 d . . P E 2
C34B C 0.4780(11) 0.462(3) 0.5032(14) 0.046(10) Uiso 0.62(8) 1 d . . P E 2
C35B C 0.4687(10) 0.418(2) 0.5701(12) 0.028(9) Uiso 0.56(7) 1 d . . P E 2
C36B C 0.4202(10) 0.378(3) 0.5760(13) 0.052(9) Uiso 0.75(9) 1 d . . P E 2
O1 O 0.3070(4) 0.1211(10) 0.6309(6) 0.067(3) Uani 1 1 d . . . . .
O2 O 0.3274(4) 0.3753(9) 0.2604(5) 0.064(3) Uani 1 1 d . . . . .
O3 O 0.2489(4) 0.2822(9) 0.6725(5) 0.061(3) Uani 1 1 d . . . . .
O4 O 0.2964(4) 0.1939(8) 0.3284(6) 0.052(3) Uani 1 1 d . . . . .
O5 O 0.3008(4) 0.3428(8) 0.4407(6) 0.056(3) Uani 1 1 d . . . . .
O6 O 0.1788(3) 0.2278(7) 0.2788(5) 0.040(2) Uani 1 1 d . . . . .
O7 O 0.1865(4) 0.4003(7) 0.3892(5) 0.046(2) Uani 1 1 d . . . . .
O8 O 0.1988(3) 0.3984(6) 0.2025(5) 0.038(2) Uani 1 1 d . . . . .
O9 O 0.2635(5) 0.5049(9) 0.3271(7) 0.085(4) Uani 1 1 d . . . . .
O10B O 0.3086(7) 0.122(3) 0.4518(10) 0.020(9) Uiso 0.49(10) 1 d . . P F 2
O11 O 0.2289(5) 0.0347(9) 0.5230(6) 0.071(3) Uani 1 1 d . . . . .
O12 O 0.1691(4) 0.1736(7) 0.5873(5) 0.046(2) Uani 1 1 d . . . . .
O0AA O 0.2021(4) 0.3461(7) 0.5162(5) 0.044(2) Uani 1 1 d . . . . .
O14 O 0.2015(3) 0.1981(7) 0.4068(5) 0.045(2) Uani 1 1 d . . . . .
O10 O 0.2949(13) 0.458(2) 0.6805(17) 0.054(13) Uiso 0.34(3) 1 d . . P G 2
O16B O 0.342(2) 0.627(4) 0.282(3) 0.20(3) Uiso 0.56(5) 1 d . . P H 2
O17 O 0.3226(4) 0.3015(10) 0.5655(6) 0.069(4) Uani 1 1 d . . . . .
N1B N 0.4636(15) 0.407(5) 0.110(2) 0.055(15) Uiso 0.46(12) 1 d . . P A 2
N2B N 0.4341(18) 0.055(5) 0.286(2) 0.069(17) Uiso 0.44(11) 1 d . . P B 2
N3 N 0.0697(6) 0.0278(13) 0.4052(8) 0.080(5) Uani 1 1 d . . . . .
N4 N 0.0219(5) 0.0742(11) 0.6005(8) 0.066(4) Uani 1 1 d . . . . .
N5 N 0.0513(6) 0.4158(13) 0.5494(8) 0.081(5) Uani 1 1 d . . . . .
N6B N 0.4471(14) 0.440(3) 0.4329(18) 0.030(15) Uiso 0.32(6) 1 d . . P E 2
Eu1 Eu 0.25030(3) 0.33684(6) 0.31352(4) 0.0447(3) Uani 1 1 d . . . . .
Eu2 Eu 0.24931(3) 0.20146(6) 0.53679(4) 0.0455(3) Uani 1 1 d . . . . .
C5A C 0.4665(9) 0.508(2) 0.2322(11) 0.021(9) Uiso 0.54(6) 1 d . . P A 1
C6A C 0.4198(12) 0.477(3) 0.2393(14) 0.041(11) Uiso 0.58(8) 1 d . . P A 1
C17A C 0.0400(10) 0.090(2) 0.2728(13) 0.027(9) Uiso 0.54(7) 1 d . . P C 1
C18A C 0.0836(15) 0.148(4) 0.2739(19) 0.033(15) Uiso 0.40(9) 1 d . . P C 1
C22A C 0.0958(13) 0.058(4) 0.7254(17) 0.039(13) Uiso 0.52(10) 1 d . . P D 1
C23A C 0.0471(11) 0.024(3) 0.7288(15) 0.042(10) Uiso 0.59(7) 1 d . . P D 1
C34A C 0.4665(16) 0.509(4) 0.5038(19) 0.030(16) Uiso 0.38(8) 1 d . . P E 1
C35A C 0.4573(16) 0.471(4) 0.573(2) 0.052(14) Uiso 0.44(7) 1 d . . P E 1
C36A C 0.412(2) 0.425(6) 0.570(3) 0.03(2) Uiso 0.25(9) 1 d . . P E 1
N1A N 0.4577(13) 0.448(4) 0.096(2) 0.061(13) Uiso 0.54(12) 1 d . . P A 1
N2A N 0.4423(12) 0.101(4) 0.2933(15) 0.057(13) Uiso 0.56(11) 1 d . . P B 1
N6A N 0.4356(9) 0.493(2) 0.4368(11) 0.054(8) Uiso 0.68(6) 1 d . . P E 1
C33A C 0.3880(14) 0.458(3) 0.4393(16) 0.035(13) Uiso 0.48(9) 1 d . . P E 1
C8A C 0.4407(11) 0.007(4) 0.4123(19) 0.034(10) Uiso 0.55(9) 1 d . . P B 1
C3A C 0.4058(15) 0.418(4) 0.100(2) 0.029(15) Uiso 0.41(11) 1 d . . P A 1
O10A O 0.3117(9) 0.158(4) 0.4562(12) 0.039(8) Uiso 0.51(10) 1 d . . P F 1
C32A C 0.3779(15) 0.421(4) 0.503(2) 0.018(16) Uiso 0.31(8) 1 d . . P E 1
O13 O 0.330(3) 0.563(5) 0.645(4) 0.36(4) Uiso 0.66(3) 1 d . . P G 1
O16A O 0.397(3) 0.714(5) 0.305(4) 0.25(4) Uiso 0.44(5) 1 d . . P H 1
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'
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'
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 C1 C2 116.7(12) 4_565 .
O2 C1 C2 119.8(12) . .
O2 C1 O1 123.2(14) . 4_565
C3B C2 C1 119.0(17) . .
C3B C2 C6B 108(3) . .
C6B C2 C1 125(2) . .
C6A C2 C1 117.5(16) . .
C6A C2 C3A 117(2) . .
C3A C2 C1 117.9(17) . .
C2 C3B N1B 118(3) . .
C5B C4 C7 118.8(18) . 2_655
C5B C4 N1B 111(3) . .
N1B C4 C7 123.5(18) . 2_655
C5A C4 C7 114.4(15) . 2_655
N1A C4 C7 117.2(19) . 2_655
N1A C4 C5A 119(2) . .
C4 C5B C6B 119(3) . .
C5B C6B C2 126(3) . .
C4 C7 N2A 119.5(16) 2_645 .
C8B C7 C4 113.0(18) . 2_645
N2B C7 C4 121(2) . 2_645
N2B C7 C8B 117(3) . .
C8A C7 C4 119.6(17) . 2_645
C8A C7 N2A 116(2) . .
C7 C8B C9 108(3) . .
C10 C9 C8B 124.8(15) . .
C8A C9 C10 120.6(18) . .
C9 C10 C11 117.3(14) . .
C9 C10 C12 122.1(12) . .
C11 C10 C12 120.3(14) . .
C10 C11 N2B 111(2) . .
N2A C11 C10 123.7(19) . .
O4 C12 C10 116.8(12) . .
O4 C12 O10B 130.5(16) . .
O4 C12 O10A 120(2) . .
O10B C12 C10 111.8(17) . .
O10A C12 C10 121.4(17) . .
C14 C13 Eu1 164.5(11) . .
O6 C13 C14 118.1(13) . .
O6 C13 O14 120.5(12) . .
O6 C13 Eu1 49.3(6) . .
O14 C13 C14 121.2(12) . .
O14 C13 Eu1 71.6(7) . .
C15 C14 C13 120.3(13) . .
C15 C14 C18A 121.8(18) . .
C18B C14 C13 123.8(16) . .
C18B C14 C15 113.9(18) . .
C18A C14 C13 116(2) . .
N3 C15 C14 119.2(14) . .
C17B C16 C19 120.2(16) . 3_556
C17B C16 N3 118.1(18) . .
N3 C16 C19 118.6(13) . 3_556
N3 C16 C17A 121.4(16) . .
C17A C16 C19 118.2(16) . 3_556
C16 C17B C18B 116(2) . .
C17B C18B C14 124(2) . .
C23B C19 C16 115.8(18) . 3_556
N4 C19 C16 119.2(14) . 3_556
N4 C19 C23B 122.8(16) . .
C23A C19 C16 119.4(16) . 3_556
C23A C19 N4 119.0(18) . .
C21 C20 N4 121.1(14) . .
C20 C21 C22B 119.5(18) . .
C20 C21 C24 122.3(14) . .
C20 C21 C22A 114.2(18) . .
C24 C21 C22B 115(2) . .
C22A C21 C24 123.1(17) . .
C23B C22B C21 116(3) . .
C22B C23B C19 119(3) . .
O8 C24 C21 117.9(12) 4_566 .
O8 C24 O12 126.4(13) 4_566 .
O12 C24 C21 115.7(13) . .
O7 C25 C26 118.5(14) . .
O7 C25 O0AA 125.4(14) . .
O0AA C25 C26 116.1(12) . .
C27 C26 C25 121.4(14) . .
C30 C26 C25 121.5(13) . .
C30 C26 C27 117.1(15) . .
C26 C27 N5 120.9(15) . .
C29 C28 C28 115.7(17) . 3_566
C29 C28 N5 122.0(14) . .
N5 C28 C28 122.3(17) . 3_566
C30 C29 C28 117.3(14) . .
C29 C30 C26 124.8(14) . .
C32B C31 Eu2 153.4(18) . .
O5 C31 C32B 123.3(15) . .
O5 C31 O17 123.0(14) . .
O5 C31 Eu2 76.7(9) . .
O5 C31 C32A 113.0(19) . .
O17 C31 C32B 113.2(16) . .
O17 C31 Eu2 47.4(7) . .
O17 C31 C32A 121.8(17) . .
C32A C31 Eu2 168.8(14) . .
C33B C32B C31 118(2) . .
C36B C32B C31 125(2) . .
C36B C32B C33B 117(2) . .
N6B C33B C32B 122(3) . .
C35B C34B C34B 126(3) . 3_666
C35B C34B N6B 118(3) . .
N6B C34B C34B 116(3) . 3_666
C34B C35B C36B 121(2) . .
C32B C36B C35B 117(2) . .
C1 O1 Eu2 153.5(12) 4_566 .
C1 O2 Eu1 134.6(9) . .
Eu2 O3 Eu1 118.0(5) . 4_566
C12 O4 Eu1 137.3(9) . .
C31 O5 Eu1 172.3(11) . .
C31 O5 Eu2 80.0(9) . .
Eu1 O5 Eu2 103.2(3) . .
C13 O6 Eu1 107.7(8) . .
C25 O7 Eu1 136.0(10) . .
C24 O8 Eu1 140.8(9) 4_565 .
C12 O10B Eu2 129(2) . .
C24 O12 Eu2 125.3(9) . .
C25 O0AA Eu2 137.0(9) . .
C13 O14 Eu1 84.1(7) . .
C13 O14 Eu2 170.3(9) . .
Eu2 O14 Eu1 105.6(3) . .
C31 O17 Eu2 109.8(9) . .
C3B N1B C4 119(3) . .
C7 N2B C11 118(3) . .
C15 N3 C16 119.6(14) . .
C19 N4 C20 119.0(14) . .
C27 N5 C28 117.8(14) . .
C33B N6B C34B 119(3) . .
C13 Eu1 Eu2 57.0(3) . .
O2 Eu1 C13 148.0(4) . .
O2 Eu1 O3 75.0(3) . 4_565
O2 Eu1 O6 136.0(3) . .
O2 Eu1 O7 143.0(4) . .
O2 Eu1 O9 72.1(5) . .
O2 Eu1 O14 144.4(4) . .
O2 Eu1 Eu2 123.2(2) . .
O3 Eu1 C13 78.1(3) 4_565 .
O3 Eu1 O14 95.3(3) 4_565 .
O3 Eu1 Eu2 117.6(2) 4_565 .
O4 Eu1 C13 74.6(4) . .
O4 Eu1 O2 77.7(4) . .
O4 Eu1 O3 62.3(3) . 4_565
O4 Eu1 O5 73.7(4) . .
O4 Eu1 O6 81.1(3) . .
O4 Eu1 O7 130.4(3) . .
O4 Eu1 O9 140.8(4) . .
O4 Eu1 O14 67.7(3) . .
O4 Eu1 Eu2 65.2(2) . .
O5 Eu1 C13 100.9(4) . .
O5 Eu1 O2 86.3(3) . .
O5 Eu1 O3 134.8(3) . 4_565
O5 Eu1 O6 123.8(3) . .
O5 Eu1 O7 81.3(3) . .
O5 Eu1 O9 79.8(4) . .
O5 Eu1 O14 76.6(3) . .
O5 Eu1 Eu2 43.9(2) . .
O6 Eu1 C13 23.1(3) . .
O6 Eu1 O3 61.0(3) . 4_565
O6 Eu1 O14 47.3(3) . .
O6 Eu1 Eu2 79.9(2) . .
O7 Eu1 C13 68.9(3) . .
O7 Eu1 O3 135.8(3) . 4_565
O7 Eu1 O6 78.3(3) . .
O7 Eu1 O9 71.5(4) . .
O7 Eu1 O14 65.1(3) . .
O7 Eu1 Eu2 66.9(2) . .
O8 Eu1 C13 93.3(4) . .
O8 Eu1 O2 92.3(3) . .
O8 Eu1 O3 67.7(3) . 4_565
O8 Eu1 O4 130.0(3) . .
O8 Eu1 O5 155.4(4) . .
O8 Eu1 O6 72.8(3) . .
O8 Eu1 O7 85.3(3) . .
O8 Eu1 O9 76.4(4) . .
O8 Eu1 O14 116.0(3) . .
O8 Eu1 Eu2 144.4(2) . .
O9 Eu1 C13 139.7(4) . .
O9 Eu1 O3 129.4(4) . 4_565
O9 Eu1 O6 138.1(4) . .
O9 Eu1 O14 132.9(4) . .
O9 Eu1 Eu2 112.5(3) . .
O14 Eu1 C13 24.3(3) . .
O14 Eu1 Eu2 32.65(16) . .
C31 Eu2 Eu1 56.2(3) . .
O1 Eu2 C31 92.2(4) . .
O1 Eu2 O3 72.1(4) . .
O1 Eu2 O5 113.2(3) . .
O1 Eu2 O10B 77.0(5) . .
O1 Eu2 O11 72.7(4) . .
O1 Eu2 O12 101.2(3) . .
O1 Eu2 O0AA 142.2(4) . .
O1 Eu2 O14 146.1(4) . .
O1 Eu2 O17 74.0(4) . .
O1 Eu2 Eu1 138.1(2) . .
O1 Eu2 O10A 80.0(6) . .
O3 Eu2 C31 88.2(4) . .
O3 Eu2 O5 103.9(3) . .
O3 Eu2 Eu1 126.4(3) . .
O5 Eu2 C31 23.4(3) . .
O5 Eu2 Eu1 32.91(17) . .
O10B Eu2 C31 71.0(10) . .
O10B Eu2 O3 141.9(5) . .
O10B Eu2 O5 68.6(9) . .
O10B Eu2 Eu1 67.5(6) . .
O11 Eu2 C31 140.2(4) . .
O11 Eu2 O3 119.5(4) . .
O11 Eu2 O5 134.9(3) . .
O11 Eu2 O10B 69.8(10) . .
O11 Eu2 Eu1 112.7(2) . .
O12 Eu2 C31 148.3(4) . .
O12 Eu2 O3 69.2(3) . .
O12 Eu2 O5 141.1(3) . .
O12 Eu2 O10B 139.8(9) . .
O12 Eu2 O11 71.5(4) . .
O12 Eu2 Eu1 120.2(2) . .
O0AA Eu2 C31 77.3(4) . .
O0AA Eu2 O3 71.4(3) . .
O0AA Eu2 O5 67.3(3) . .
O0AA Eu2 O10B 130.4(7) . .
O0AA Eu2 O11 135.8(4) . .
O0AA Eu2 O12 74.5(3) . .
O0AA Eu2 Eu1 63.2(2) . .
O14 Eu2 C31 97.8(4) . .
O14 Eu2 O3 140.2(3) . .
O14 Eu2 O5 74.7(3) . .
O14 Eu2 O10B 75.8(5) . .
O14 Eu2 O11 79.1(4) . .
O14 Eu2 O12 87.0(3) . .
O14 Eu2 O0AA 71.7(3) . .
O14 Eu2 O17 120.5(3) . .
O14 Eu2 Eu1 41.8(2) . .
O17 Eu2 C31 22.8(4) . .
O17 Eu2 O3 69.9(3) . .
O17 Eu2 O5 45.9(3) . .
O17 Eu2 O10B 80.7(9) . .
O17 Eu2 O11 139.4(4) . .
O17 Eu2 O12 138.2(3) . .
O17 Eu2 O0AA 84.6(4) . .
O17 Eu2 Eu1 78.8(3) . .
O10A Eu2 C31 59.5(14) . .
O10A Eu2 O3 136.4(9) . .
O10A Eu2 O5 57.6(13) . .
O10A Eu2 O11 81.4(14) . .
O10A Eu2 O12 150.9(13) . .
O10A Eu2 O0AA 121.9(11) . .
O10A Eu2 O14 77.4(6) . .
O10A Eu2 O17 70.5(12) . .
O10A Eu2 Eu1 60.9(8) . .
C6A C5A C4 117(2) . .
C5A C6A C2 121(2) . .
C16 C17A C18A 122(2) . .
C17A C18A C14 114(3) . .
C23A C22A C21 122(2) . .
C19 C23A C22A 119(2) . .
C35A C34A C34A 108(4) . 3_666
N6A C34A C34A 114(4) . 3_666
N6A C34A C35A 121(3) . .
C34A C35A C36A 115(4) . .
C32A C36A C35A 123(5) . .
C4 N1A C3A 120(3) . .
C11 N2A C7 112(3) . .
C34A N6A C33A 120(2) . .
C32A C33A N6A 119(3) . .
C9 C8A C7 120(2) . .
N1A C3A C2 114(3) . .
C12 O10A Eu2 145.1(16) . .
C36A C32A C31 116(4) . .
C33A C32A C31 121(3) . .
C33A C32A C36A 120(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.52(2) .
C1 O1 1.240(16) 4_565
C1 O2 1.231(15) .
C2 C3B 1.33(3) .
C2 C6B 1.36(4) .
C2 C6A 1.44(3) .
C2 C3A 1.46(4) .
C3B N1B 1.40(4) .
C4 C5B 1.24(3) .
C4 C7 1.49(2) 2_655
C4 N1B 1.43(4) .
C4 C5A 1.43(3) .
C4 N1A 1.38(3) .
C5B C6B 1.31(5) .
C7 C4 1.49(2) 2_645
C7 C8B 1.37(3) .
C7 N2B 1.23(4) .
C7 N2A 1.49(4) .
C7 C8A 1.35(3) .
C8B C9 1.45(4) .
C9 C10 1.37(2) .
C9 C8A 1.30(3) .
C10 C11 1.38(2) .
C10 C12 1.52(2) .
C11 N2B 1.53(5) .
C11 N2A 1.36(3) .
C12 O4 1.258(17) .
C12 O10B 1.28(2) .
C12 O10A 1.27(3) .
C13 C14 1.467(19) .
C13 O6 1.260(15) .
C13 O14 1.271(16) .
C13 Eu1 3.066(13) .
C14 C15 1.41(2) .
C14 C18B 1.39(3) .
C14 C18A 1.45(4) .
C15 N3 1.37(2) .
C16 C17B 1.34(3) .
C16 C19 1.47(2) 3_556
C16 N3 1.38(2) .
C16 C17A 1.40(3) .
C17B C18B 1.35(4) .
C19 C16 1.47(2) 3_556
C19 C23B 1.43(4) .
C19 N4 1.35(2) .
C19 C23A 1.30(3) .
C20 C21 1.36(2) .
C20 N4 1.384(19) .
C21 C22B 1.54(4) .
C21 C24 1.497(19) .
C21 C22A 1.39(3) .
C22B C23B 1.37(4) .
C24 O8 1.250(16) 4_566
C24 O12 1.255(16) .
C25 C26 1.49(2) .
C25 O7 1.256(15) .
C25 O0AA 1.284(17) .
C26 C27 1.38(2) .
C26 C30 1.37(2) .
C27 N5 1.39(2) .
C28 C28 1.49(3) 3_566
C28 C29 1.36(2) .
C28 N5 1.40(2) .
C29 C30 1.35(2) .
C31 C32B 1.48(3) .
C31 O5 1.228(18) .
C31 O17 1.255(18) .
C31 Eu2 3.049(15) .
C31 C32A 1.66(5) .
C32B C33B 1.44(4) .
C32B C36B 1.38(3) .
C33B N6B 1.27(5) .
C34B C34B 1.60(6) 3_666
C34B C35B 1.34(3) .
C34B N6B 1.37(4) .
C35B C36B 1.41(3) .
O1 C1 1.240(16) 4_566
O1 Eu2 2.333(11) .
O2 Eu1 2.387(10) .
O3 Eu1 2.912(11) 4_566
O3 Eu2 2.559(10) .
O4 Eu1 2.356(11) .
O5 Eu1 2.360(9) .
O5 Eu2 3.013(10) .
O6 Eu1 2.439(9) .
O7 Eu1 2.416(10) .
O8 C24 1.250(16) 4_565
O8 Eu1 2.321(9) .
O9 Eu1 2.415(13) .
O10B Eu2 2.52(2) .
O11 Eu2 2.430(13) .
O12 Eu2 2.410(9) .
O0AA Eu2 2.397(10) .
O14 Eu1 2.924(10) .
O14 Eu2 2.369(8) .
O17 Eu2 2.386(11) .
Eu1 O3 2.912(11) 4_565
Eu1 Eu2 4.2292(10) .
Eu2 O10A 2.35(2) .
C5A C6A 1.32(3) .
C17A C18A 1.41(4) .
C22A C23A 1.37(4) .
C34A C34A 1.80(9) 3_666
C34A C35A 1.34(5) .
C34A N6A 1.32(4) .
C35A C36A 1.35(6) .
C36A C32A 1.34(6) .
N1A C3A 1.44(4) .
N6A C33A 1.35(3) .
C33A C32A 1.26(5) .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C1 C2 C3B N1B -179(5) . . . .
C1 C2 C6B C5B -175(5) . . . .
C1 C2 C6A C5A -178(3) . . . .
C1 C2 C3A N1A 179(4) . . . .
C2 C1 O2 Eu1 178.0(11) . . . .
C2 C3B N1B C4 -5(9) . . . .
C3B C2 C6B C5B 36(8) . . . .
C4 C5B C6B C2 -4(9) . . . .
C4 C7 C8B C9 166(2) 2_645 . . .
C4 C7 N2B C11 -158(3) 2_645 . . .
C4 C7 N2A C11 175(2) 2_645 . . .
C4 C7 C8A C9 -167(3) 2_645 . . .
C4 C5A C6A C2 -1(5) . . . .
C4 N1A C3A C2 -3(8) . . . .
C5B C4 N1B C3B 38(7) . . . .
C6B C2 C3B N1B -28(7) . . . .
C7 C4 C5B C6B 175(4) 2_655 . . .
C7 C4 N1B C3B -171(5) 2_655 . . .
C7 C4 C5A C6A 175(3) 2_655 . . .
C7 C4 N1A C3A -171(5) 2_655 . . .
C7 C8B C9 C10 27(4) . . . .
C8B C7 N2B C11 57(7) . . . .
C8B C9 C10 C11 -16(4) . . . .
C8B C9 C10 C12 170(3) . . . .
C9 C10 C11 N2B 18(4) . . . .
C9 C10 C11 N2A -9(4) . . . .
C9 C10 C12 O4 -165.1(17) . . . .
C9 C10 C12 O10B 5(3) . . . .
C9 C10 C12 O10A 29(4) . . . .
C10 C9 C8A C7 -29(6) . . . .
C10 C11 N2B C7 -40(7) . . . .
C10 C11 N2A C7 16(5) . . . .
C10 C12 O4 Eu1 -141.9(12) . . . .
C10 C12 O10B Eu2 162.0(17) . . . .
C10 C12 O10A Eu2 -169(5) . . . .
C11 C10 C12 O4 21(2) . . . .
C11 C10 C12 O10B -169(2) . . . .
C11 C10 C12 O10A -145(3) . . . .
C12 C10 C11 N2B -168(3) . . . .
C12 C10 C11 N2A 166(3) . . . .
C13 C14 C15 N3 178.9(16) . . . .
C13 C14 C18B C17B 175(4) . . . .
C13 C14 C18A C17A 178(3) . . . .
C14 C13 O6 Eu1 169.1(11) . . . .
C14 C13 O14 Eu1 -170.3(14) . . . .
C14 C15 N3 C16 -1(3) . . . .
C15 C14 C18B C17B 10(6) . . . .
C15 C14 C18A C17A -17(5) . . . .
C16 C17B C18B C14 14(7) . . . .
C16 C19 C23B C22B 177(4) 3_556 . . .
C16 C19 N4 C20 -176.4(17) 3_556 . . .
C16 C19 C23A C22A 173(4) 3_556 . . .
C16 C17A C18A C14 7(6) . . . .
C17B C16 N3 C15 27(3) . . . .
C18B C14 C15 N3 -16(3) . . . .
C19 C16 C17B C18B 168(3) 3_556 . . .
C19 C16 N3 C15 -173.2(18) 3_556 . . .
C19 C16 C17A C18A 170(4) 3_556 . . .
C20 C21 C22B C23B -12(6) . . . .
C20 C21 C24 O8 -176.1(15) . . . 4_566
C20 C21 C24 O12 5(2) . . . .
C20 C21 C22A C23A 13(6) . . . .
C21 C20 N4 C19 0(3) . . . .
C21 C22B C23B C19 0(7) . . . .
C21 C24 O12 Eu2 -163.8(9) . . . .
C21 C22A C23A C19 7(7) . . . .
C22B C21 C24 O8 -17(3) . . . 4_566
C22B C21 C24 O12 164(3) . . . .
C23B C19 N4 C20 -14(3) . . . .
C24 C21 C22B C23B -172(4) . . . .
C24 C21 C22A C23A -174(4) . . . .
C25 C26 C27 N5 -177.7(16) . . . .
C25 C26 C30 C29 177.8(17) . . . .
C26 C25 O7 Eu1 -163.3(10) . . . .
C26 C25 O0AA Eu2 129.9(12) . . . .
C26 C27 N5 C28 2(3) . . . .
C27 C26 C30 C29 0(3) . . . .
C28 C28 C29 C30 -178.2(19) 3_566 . . .
C28 C28 N5 C27 178(2) 3_566 . . .
C28 C29 C30 C26 -2(3) . . . .
C29 C28 N5 C27 -4(3) . . . .
C30 C26 C27 N5 0(3) . . . .
C31 C32B C33B N6B -175(4) . . . .
C31 C32B C36B C35B -176(3) . . . .
C32B C31 O5 Eu2 161(2) . . . .
C32B C31 O17 Eu2 -158.2(18) . . . .
C32B C33B N6B C34B -24(8) . . . .
C33B C32B C36B C35B -2(6) . . . .
C34B C34B C35B C36B 158(5) 3_666 . . .
C34B C34B N6B C33B -150(5) 3_666 . . .
C34B C35B C36B C32B 9(6) . . . .
C35B C34B N6B C33B 30(7) . . . .
C36B C32B C33B N6B 11(7) . . . .
O1 C1 C2 C3B -38(4) 4_565 . . .
O1 C1 C2 C6B 176(4) 4_565 . . .
O1 C1 C2 C6A 139(2) 4_565 . . .
O1 C1 C2 C3A -9(4) 4_565 . . .
O1 C1 O2 Eu1 5(3) 4_565 . . .
O2 C1 C2 C3B 148(3) . . . .
O2 C1 C2 C6B 3(4) . . . .
O2 C1 C2 C6A -34(3) . . . .
O2 C1 C2 C3A 177(3) . . . .
O4 C12 O10B Eu2 -30(4) . . . .
O4 C12 O10A Eu2 26(8) . . . .
O5 C31 C32B C33B 4(5) . . . .
O5 C31 C32B C36B 177(3) . . . .
O5 C31 O17 Eu2 14(2) . . . .
O5 C31 C32A C36A 178(5) . . . .
O5 C31 C32A C33A -19(6) . . . .
O6 C13 C14 C15 177.1(15) . . . .
O6 C13 C14 C18B 14(3) . . . .
O6 C13 C14 C18A -18(3) . . . .
O6 C13 O14 Eu1 5.6(13) . . . .
O7 C25 C26 C27 158.7(15) . . . .
O7 C25 C26 C30 -19(2) . . . .
O7 C25 O0AA Eu2 -49(2) . . . .
O8 C24 O12 Eu2 17(2) 4_566 . . .
O10B C12 O4 Eu1 50(3) . . . .
O0AA C25 C26 C27 -21(2) . . . .
O0AA C25 C26 C30 161.6(15) . . . .
O0AA C25 O7 Eu1 16(2) . . . .
O14 C13 C14 C15 -7(2) . . . .
O14 C13 C14 C18B -170(3) . . . .
O14 C13 C14 C18A 158(3) . . . .
O14 C13 O6 Eu1 -7.0(16) . . . .
O17 C31 C32B C33B 176(3) . . . .
O17 C31 C32B C36B -11(5) . . . .
O17 C31 O5 Eu2 -10.5(18) . . . .
O17 C31 C32A C36A 15(6) . . . .
O17 C31 C32A C33A 177(4) . . . .
N1B C4 C5B C6B -33(6) . . . .
N2B C7 C8B C9 -47(5) . . . .
N3 C16 C17B C18B -32(5) . . . .
N3 C16 C17A C18A 6(5) . . . .
N4 C19 C23B C22B 14(5) . . . .
N4 C19 C23A C22A -25(5) . . . .
N4 C20 C21 C22B 13(4) . . . .
N4 C20 C21 C24 171.1(15) . . . .
N4 C20 C21 C22A -16(3) . . . .
N5 C28 C29 C30 4(3) . . . .
N6B C34B C35B C36B -22(6) . . . .
Eu1 C13 C14 C15 -150(3) . . . .
Eu1 C13 C14 C18B 47(5) . . . .
Eu1 C13 C14 C18A 15(5) . . . .
Eu2 C31 C32B C33B 138(3) . . . .
Eu2 C31 C32B C36B -49(6) . . . .
Eu2 C31 C32A C36A 30(15) . . . .
Eu2 C31 C32A C33A -167(8) . . . .
C5A C4 N1A C3A -27(7) . . . .
C6A C2 C3A N1A 30(6) . . . .
C17A C16 N3 C15 -9(3) . . . .
C18A C14 C15 N3 15(4) . . . .
C22A C21 C24 O8 12(3) . . . 4_566
C22A C21 C24 O12 -167(3) . . . .
C23A C19 N4 C20 21(3) . . . .
C34A C34A C35A C36A -140(6) 3_666 . . .
C34A C34A N6A C33A 147(4) 3_666 . . .
C34A C35A C36A C32A -3(11) . . . .
C34A N6A C33A C32A -16(8) . . . .
C35A C34A N6A C33A 16(8) . . . .
C35A C36A C32A C31 166(6) . . . .
C35A C36A C32A C33A 3(12) . . . .
N1A C4 C5A C6A 29(5) . . . .
N2A C7 C8A C9 37(6) . . . .
N6A C34A C35A C36A -6(9) . . . .
N6A C33A C32A C31 -155(4) . . . .
N6A C33A C32A C36A 7(9) . . . .
C8A C7 N2A C11 -29(5) . . . .
C8A C9 C10 C11 13(4) . . . .
C8A C9 C10 C12 -161(3) . . . .
C3A C2 C6A C5A -29(5) . . . .
O10A C12 O4 Eu1 24(3) . . . .
C32A C31 O5 Eu2 -174(2) . . . .
C32A C31 O17 Eu2 176(3) . . . .
