#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:02:26 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234759 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/21/7702113.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_7702113
loop_
_publ_author_name
'Feng, Hui-Jun'
'Xu, Ling'
'Liu, Bing'
'Jiao, Huan'
_publ_section_title
;
 Europium metal-organic frameworks as recyclable and selective turn-off
 fluorescent sensors for aniline detection.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17392
_journal_page_last               17400
_journal_paper_doi               10.1039/c6dt03358j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C24 H12 Cl Eu2 O12, C7 H13 N2'
_chemical_formula_sum            'C31 H25 Cl Eu2 N2 O12'
_chemical_formula_weight         956.90
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-09-14
_audit_creation_method
;
Olex2 1.2
(compiled 2016.08.25 svn.r3337 for OlexSys, GUI svn.r5221)
;
_audit_update_record
;
2016-09-16 deposited with the CCDC.
2016-09-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 122.332(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0317(3)
_cell_length_b                   19.5150(5)
_cell_length_c                   17.2834(4)
_cell_measurement_reflns_used    14120
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.2560
_cell_measurement_theta_min      3.4930
_cell_volume                     3428.96(16)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2002)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2002)'
_computing_molecular_graphics    'Siemens SHELXTLTM 5'
_computing_publication_material  'Siemens SHELXTLTM 5'
_computing_structure_refinement  'Siemens SHELXTLTM 5'
_computing_structure_solution    'Siemens SHELXTLTM 5'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_av_unetI/netI     0.0172
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32194
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.43
_diffrn_source                   'rotating-anode generator'
_exptl_absorpt_coefficient_mu    3.765
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (CrystalClear)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platlet
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.546
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         6037
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0253
_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)+(0.0238P)²+14.6588P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0644
_reflns_number_gt                5316
_reflns_number_total             6037
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03358j2.cif
_cod_data_source_block           comp-2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3428.96(15)
_cod_database_code               7702113
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C5-C6
 1.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C4) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C5) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C6) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
Uanis(C7) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.01
4.a Riding coordinates:
 C12(H12A), C13(H13A), C15(H15A), C16(H16A), C22(H22A), C23(H23A), C25(H25A),
 C26(H26A), C32(H32A), C33(H33A), C42(H42A), C43(H43A)
4.b Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B)
4.c Me refined with riding coordinates:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C)
4.d Aromatic/amide H refined with riding coordinates:
 C1(H1A), C2(H2A), C3(H3A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu -0.264560(19) -0.269856(10) 0.556537(13) 0.01402(7) Uani 1 1 d .
Eu2 Eu -0.314462(19) -0.232526(10) 0.765883(13) 0.01335(7) Uani 1 1 d .
Cl1 Cl -0.23555(11) -0.19151(5) 0.42863(6) 0.0224(2) Uani 1 1 d .
O11 O -0.5541(3) -0.68823(17) 0.5745(2) 0.0301(8) Uani 1 1 d .
O12 O -0.5429(3) -0.67292(17) 0.7051(2) 0.0320(8) Uani 1 1 d .
O13 O -0.2879(4) -0.34870(15) 0.7439(2) 0.0315(8) Uani 1 1 d .
O14 O -0.2512(3) -0.37153(15) 0.6338(2) 0.0291(7) Uani 1 1 d .
O21 O -1.0375(3) -0.2490(2) 0.1699(2) 0.0362(8) Uani 1 1 d .
O22 O -1.1376(3) -0.26419(16) 0.2434(2) 0.0280(7) Uani 1 1 d .
O23 O -0.5421(3) -0.2732(2) 0.6570(2) 0.0349(9) Uani 1 1 d .
O24 O -0.4321(3) -0.26067(16) 0.5903(2) 0.0251(7) Uani 1 1 d .
O31 O -0.1644(4) -0.34742(18) 0.5103(2) 0.0417(10) Uani 1 1 d .
O32 O -0.1757(3) -0.34556(17) 0.3783(2) 0.0327(8) Uani 1 1 d .
O41 O -0.3575(3) -0.13175(16) 0.6757(2) 0.0299(8) Uani 1 1 d .
O42 O -0.3001(3) -0.15433(16) 0.5753(2) 0.0308(8) Uani 1 1 d .
C11 C -0.4639(5) -0.5848(2) 0.6540(3) 0.0239(10) Uani 1 1 d .
C12 C -0.4658(6) -0.5366(3) 0.7122(4) 0.0391(13) Uani 1 1 d .
H12A H -0.5051 -0.5471 0.7446 0.043(15) Uiso 1 1 d R
C13 C -0.4098(6) -0.4729(3) 0.7217(4) 0.0390(13) Uani 1 1 d .
H13A H -0.4110 -0.4407 0.7610 0.07(2) Uiso 1 1 d R
C14 C -0.3514(5) -0.4566(2) 0.6735(3) 0.0235(10) Uani 1 1 d .
C15 C -0.3507(5) -0.5044(2) 0.6153(3) 0.0305(11) Uani 1 1 d .
H15A H -0.3121 -0.4936 0.5824 0.028(13) Uiso 1 1 d R
C16 C -0.4066(5) -0.5683(2) 0.6050(3) 0.0318(11) Uani 1 1 d .
H16A H -0.4057 -0.6002 0.5654 0.041(15) Uiso 1 1 d R
C17 C -0.5259(4) -0.6534(2) 0.6438(3) 0.0201(9) Uani 1 1 d .
C18 C -0.2924(5) -0.3870(2) 0.6842(3) 0.0242(10) Uani 1 1 d .
C21 C -0.9047(4) -0.2673(2) 0.3299(3) 0.0248(10) Uani 1 1 d .
C22 C -0.8932(5) -0.3017(3) 0.4035(3) 0.0354(12) Uani 1 1 d .
H22A H -0.9663 -0.3231 0.3978 0.031(14) Uiso 1 1 d R
C23 C -0.7736(5) -0.3045(3) 0.4856(3) 0.0369(12) Uani 1 1 d .
H23A H -0.7665 -0.3278 0.5350 0.042(16) Uiso 1 1 d R
C24 C -0.6646(4) -0.2726(2) 0.4946(3) 0.0234(10) Uani 1 1 d .
C25 C -0.6750(4) -0.2400(3) 0.4204(3) 0.0282(11) Uani 1 1 d .
H25A H -0.6013 -0.2196 0.4258 0.046(17) Uiso 1 1 d R
C26 C -0.7941(4) -0.2373(3) 0.3385(3) 0.0291(11) Uani 1 1 d .
H26A H -0.8004 -0.2154 0.2885 0.040(15) Uiso 1 1 d R
C27 C -1.0345(4) -0.2599(2) 0.2421(3) 0.0237(10) Uani 1 1 d .
C28 C -0.5391(4) -0.2698(2) 0.5864(3) 0.0208(9) Uani 1 1 d .
C31 C -0.0685(5) -0.4384(2) 0.4773(3) 0.0269(10) Uani 1 1 d .
C32 C -0.0502(6) -0.4714(3) 0.4152(4) 0.0428(15) Uani 1 1 d .
H32A H -0.0840 -0.4524 0.3574 0.057(18) Uiso 1 1 d R
C33 C -0.0177(6) -0.4673(3) 0.5630(4) 0.0435(15) Uani 1 1 d .
H33A H -0.0292 -0.4454 0.6061 0.07(2) Uiso 1 1 d R
C34 C -0.1423(4) -0.3721(2) 0.4535(3) 0.0235(10) Uani 1 1 d .
C41 C -0.4284(4) -0.0564(2) 0.5513(3) 0.0214(9) Uani 1 1 d .
C42 C -0.4708(5) -0.0524(2) 0.4600(3) 0.0262(10) Uani 1 1 d .
H42A H -0.4507 -0.0874 0.4330 0.052(17) Uiso 1 1 d R
C43 C -0.4564(5) -0.0037(2) 0.5919(3) 0.0270(10) Uani 1 1 d .
H43A H -0.4267 -0.0059 0.6538 0.039(15) Uiso 1 1 d R
C44 C -0.3542(5) -0.1190(2) 0.6061(3) 0.0236(10) Uani 1 1 d .
N1 N -0.8156(7) -0.1518(3) 0.5659(5) 0.0657(16) Uani 1 1 d .
N2 N -0.8818(5) -0.0997(3) 0.4406(4) 0.0600(15) Uani 1 1 d .
C1 C -0.9177(7) -0.1380(4) 0.4860(7) 0.076(2) Uani 1 1 d .
H1A H -1.0030 -0.1529 0.4642 0.091 Uiso 1 1 calc R
C2 C -0.7513(6) -0.0892(4) 0.4966(5) 0.0591(18) Uani 1 1 d .
H2A H -0.6989 -0.0635 0.4828 0.071 Uiso 1 1 calc R
C3 C -0.7108(7) -0.1214(4) 0.5739(5) 0.0577(17) Uani 1 1 d .
H3A H -0.6252 -0.1227 0.6247 0.069 Uiso 1 1 calc R
C4 C -0.8111(11) -0.1938(6) 0.6395(7) 0.108(3) Uani 1 1 d U
H4A H -0.8975 -0.2107 0.6188 0.162 Uiso 1 1 calc R
H4B H -0.7805 -0.1660 0.6931 0.162 Uiso 1 1 calc R
H4C H -0.7522 -0.2317 0.6541 0.162 Uiso 1 1 calc R
C5 C -0.9863(17) 0.0401(9) 0.3793(11) 0.186(7) Uani 1 1 d DU
H5A H -0.9794 0.0865 0.3638 0.279 Uiso 1 1 calc R
H5B H -0.9225 0.0323 0.4430 0.279 Uiso 1 1 calc R
H5C H -1.0730 0.0323 0.3671 0.279 Uiso 1 1 calc R
C6 C -0.9631(14) -0.0042(8) 0.3273(10) 0.159(5) Uani 1 1 d DU
H6A H -0.8774 0.0062 0.3375 0.191 Uiso 1 1 calc R
H6B H -1.0280 0.0044 0.2632 0.191 Uiso 1 1 calc R
C7 C -0.9667(11) -0.0764(6) 0.3454(7) 0.110(3) Uani 1 1 d U
H7A H -0.9434 -0.1022 0.3081 0.132 Uiso 1 1 calc R
H7B H -1.0567 -0.0882 0.3248 0.132 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 '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
Cl1 Eu1 Eu2 137.27(2) . .
Cl1 Eu1 C27 107.58(9) . 4_656
O11 Eu1 Eu2 115.45(8) 3_446 .
O11 Eu1 Cl1 82.68(8) 3_446 .
O11 Eu1 O14 89.98(12) 3_446 .
O11 Eu1 O21 158.41(12) 3_446 4_656
O11 Eu1 O22 149.51(10) 3_446 4_656
O11 Eu1 O24 77.67(11) 3_446 .
O11 Eu1 O31 79.80(14) 3_446 .
O11 Eu1 O42 109.33(12) 3_446 .
O11 Eu1 C27 169.00(12) 3_446 4_656
O14 Eu1 Eu2 68.96(7) . .
O14 Eu1 Cl1 153.11(8) . .
O14 Eu1 O21 87.88(13) . 4_656
O14 Eu1 O22 73.57(10) . 4_656
O14 Eu1 O24 74.61(11) . .
O14 Eu1 O42 133.97(10) . .
O14 Eu1 C27 79.07(12) . 4_656
O21 Eu1 Eu2 83.70(8) 4_656 .
O21 Eu1 Cl1 89.59(9) 4_656 .
O21 Eu1 O22 48.89(10) 4_656 4_656
O21 Eu1 C27 24.00(12) 4_656 4_656
O22 Eu1 Eu2 34.83(6) 4_656 .
O22 Eu1 Cl1 123.03(7) 4_656 .
O22 Eu1 C27 24.92(11) 4_656 4_656
O24 Eu1 Eu2 38.51(7) . .
O24 Eu1 Cl1 128.12(8) . .
O24 Eu1 O21 122.20(11) . 4_656
O24 Eu1 O22 73.32(9) . 4_656
O24 Eu1 C27 98.22(11) . 4_656
O31 Eu1 Eu2 141.05(8) . .
O31 Eu1 Cl1 77.45(9) . .
O31 Eu1 O14 75.80(11) . .
O31 Eu1 O21 78.85(14) . 4_656
O31 Eu1 O22 118.98(11) . 4_656
O31 Eu1 O24 142.49(13) . .
O31 Eu1 O42 146.94(12) . .
O31 Eu1 C27 98.26(14) . 4_656
O42 Eu1 Eu2 65.01(7) . .
O42 Eu1 Cl1 72.56(8) . .
O42 Eu1 O21 87.25(13) . 4_656
O42 Eu1 O22 69.04(10) . 4_656
O42 Eu1 O24 69.75(11) . .
O42 Eu1 C27 78.23(12) . 4_656
C27 Eu1 Eu2 59.71(9) 4_656 .
Cl1 Eu2 Eu1 131.18(2) 4_556 .
Cl1 Eu2 C28 123.35(9) 4_556 .
O12 Eu2 Eu1 139.44(8) 2_456 .
O12 Eu2 Cl1 86.70(8) 2_456 4_556
O12 Eu2 O13 133.92(12) 2_456 .
O12 Eu2 O22 151.47(12) 2_456 4_656
O12 Eu2 O23 71.51(12) 2_456 .
O12 Eu2 O24 110.34(11) 2_456 .
O12 Eu2 O41 78.61(11) 2_456 .
O12 Eu2 C28 89.05(12) 2_456 .
O13 Eu2 Eu1 65.33(7) . .
O13 Eu2 Cl1 69.88(8) . 4_556
O13 Eu2 O22 74.60(11) . 4_656
O13 Eu2 O23 76.06(13) . .
O13 Eu2 O24 69.36(11) . .
O13 Eu2 O41 133.65(10) . .
O13 Eu2 C28 73.49(12) . .
O22 Eu2 Eu1 42.97(8) 4_656 .
O22 Eu2 Cl1 107.09(8) 4_656 4_556
O22 Eu2 O23 126.40(11) 4_656 .
O22 Eu2 O24 77.33(10) 4_656 .
O22 Eu2 O41 79.34(11) 4_656 .
O22 Eu2 C28 102.87(12) 4_656 .
O23 Eu2 Eu1 84.01(7) . .
O23 Eu2 Cl1 103.39(9) . 4_556
O23 Eu2 O24 50.50(10) . .
O23 Eu2 C28 25.02(11) . .
O24 Eu2 Eu1 34.38(7) . .
O24 Eu2 Cl1 135.91(7) . 4_556
O24 Eu2 C28 25.73(11) . .
O32 Eu2 Eu1 118.84(8) 4_556 .
O32 Eu2 Cl1 78.77(9) 4_556 4_556
O32 Eu2 O12 77.07(13) 4_556 2_456
O32 Eu2 O13 131.94(13) 4_556 .
O32 Eu2 O22 81.24(12) 4_556 4_656
O32 Eu2 O23 148.26(12) 4_556 .
O32 Eu2 O24 143.43(11) 4_556 .
O32 Eu2 O41 79.28(12) 4_556 .
O32 Eu2 C28 153.54(12) 4_556 .
O41 Eu2 Eu1 69.40(7) . .
O41 Eu2 Cl1 155.82(8) . 4_556
O41 Eu2 O23 90.13(12) . .
O41 Eu2 O24 67.91(11) . .
O41 Eu2 C28 75.92(12) . .
C28 Eu2 Eu1 59.91(9) . .
Eu2 Cl1 Eu1 111.73(3) 4 .
C17 O11 Eu1 139.8(3) . 3_446
C17 O12 Eu2 144.2(3) . 2_446
C18 O13 Eu2 139.5(3) . .
C18 O14 Eu1 132.0(3) . .
C27 O21 Eu1 104.8(3) . 4_455
Eu2 O22 Eu1 102.20(11) 4_455 4_455
C27 O22 Eu1 84.2(3) . 4_455
C27 O22 Eu2 172.6(3) . 4_455
C28 O23 Eu2 97.3(3) . .
Eu1 O24 Eu2 107.10(11) . .
C28 O24 Eu1 160.9(3) . .
C28 O24 Eu2 89.7(2) . .
C34 O31 Eu1 153.1(3) . .
C34 O32 Eu2 145.9(3) . 4
C44 O41 Eu2 133.2(3) . .
C44 O42 Eu1 140.0(3) . .
C12 C11 C17 119.5(4) . .
C16 C11 C12 119.4(4) . .
C16 C11 C17 121.0(4) . .
C11 C12 H12A 119.9 . .
C13 C12 C11 120.1(4) . .
C13 C12 H12A 120.0 . .
C12 C13 H13A 119.8 . .
C12 C13 C14 120.4(4) . .
C14 C13 H13A 119.8 . .
C13 C14 C18 119.6(4) . .
C15 C14 C13 119.3(4) . .
C15 C14 C18 121.1(4) . .
C14 C15 H15A 119.6 . .
C14 C15 C16 120.8(4) . .
C16 C15 H15A 119.6 . .
C11 C16 H16A 120.1 . .
C15 C16 C11 119.9(4) . .
C15 C16 H16A 120.0 . .
O11 C17 C11 117.4(4) . .
O12 C17 O11 124.3(4) . .
O12 C17 C11 118.3(4) . .
O13 C18 C14 116.8(4) . .
O14 C18 O13 125.0(4) . .
O14 C18 C14 118.2(4) . .
C22 C21 C26 119.3(4) . .
C22 C21 C27 121.3(4) . .
C26 C21 C27 119.4(4) . .
C21 C22 H22A 120.0 . .
C21 C22 C23 120.2(5) . .
C23 C22 H22A 119.8 . .
C22 C23 H23A 119.8 . .
C22 C23 C24 120.2(5) . .
C24 C23 H23A 120.0 . .
C23 C24 C28 119.7(4) . .
C25 C24 C23 119.7(4) . .
C25 C24 C28 120.5(4) . .
C24 C25 H25A 119.9 . .
C26 C25 C24 120.1(4) . .
C26 C25 H25A 119.9 . .
C21 C26 H26A 119.8 . .
C25 C26 C21 120.4(5) . .
C25 C26 H26A 119.8 . .
O21 C27 Eu1 51.2(2) . 4_455
O21 C27 O22 122.0(4) . .
O21 C27 C21 119.2(4) . .
O22 C27 Eu1 70.9(2) . 4_455
O22 C27 C21 118.8(4) . .
C21 C27 Eu1 169.3(3) . 4_455
O23 C28 Eu2 57.7(2) . .
O23 C28 O24 121.3(4) . .
O23 C28 C24 119.8(4) . .
O24 C28 Eu2 64.6(2) . .
O24 C28 C24 118.9(4) . .
C24 C28 Eu2 166.9(3) . .
C32 C31 C33 119.0(4) . .
C32 C31 C34 120.8(4) . .
C33 C31 C34 120.2(4) . .
C31 C32 H32A 119.6 . .
C31 C32 C33 120.9(5) . 3_546
C33 C32 H32A 119.5 3_546 .
C31 C33 H33A 120.0 . .
C32 C33 C31 120.1(5) 3_546 .
C32 C33 H33A 119.9 3_546 .
O31 C34 O32 125.2(4) . .
O31 C34 C31 117.6(4) . .
O32 C34 C31 117.2(4) . .
C42 C41 C43 119.8(4) . .
C42 C41 C44 119.8(4) . .
C43 C41 C44 120.4(4) . .
C41 C42 H42A 119.9 . .
C41 C42 C43 120.2(4) . 3_456
C43 C42 H42A 119.9 3_456 .
C41 C43 C42 119.9(4) . 3_456
C41 C43 H43A 120.0 . .
C42 C43 H43A 120.0 3_456 .
O41 C44 C41 116.8(4) . .
O42 C44 O41 126.4(4) . .
O42 C44 C41 116.7(4) . .
C1 N1 C3 108.9(7) . .
C1 N1 C4 127.3(7) . .
C3 N1 C4 123.7(7) . .
C1 N2 C2 106.6(6) . .
C1 N2 C7 126.2(7) . .
C2 N2 C7 127.1(7) . .
N1 C1 N2 109.1(6) . .
N1 C1 H1A 125.4 . .
N2 C1 H1A 125.4 . .
N2 C2 H2A 125.8 . .
C3 C2 N2 108.3(6) . .
C3 C2 H2A 125.8 . .
N1 C3 H3A 126.5 . .
C2 C3 N1 107.0(6) . .
C2 C3 H3A 126.5 . .
N1 C4 H4A 109.5 . .
N1 C4 H4B 109.5 . .
N1 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C6 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
C6 C5 H5C 109.5 . .
C5 C6 H6A 108.4 . .
C5 C6 H6B 108.4 . .
C5 C6 C7 115.4(15) . .
H6A C6 H6B 107.5 . .
C7 C6 H6A 108.4 . .
C7 C6 H6B 108.4 . .
N2 C7 H7A 108.0 . .
N2 C7 H7B 108.0 . .
C6 C7 N2 117.3(10) . .
C6 C7 H7A 108.0 . .
C6 C7 H7B 108.0 . .
H7A C7 H7B 107.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 Eu2 4.0381(3) .
Eu1 Cl1 2.8587(9) .
Eu1 O11 2.296(3) 3_446
Eu1 O14 2.348(3) .
Eu1 O21 2.390(3) 4_656
Eu1 O22 2.816(3) 4_656
Eu1 O24 2.386(3) .
Eu1 O31 2.326(3) .
Eu1 O42 2.349(3) .
Eu1 C27 2.965(4) 4_656
Eu2 Cl1 2.8556(9) 4_556
Eu2 O12 2.339(3) 2_456
Eu2 O13 2.349(3) .
Eu2 O22 2.359(3) 4_656
Eu2 O23 2.482(3) .
Eu2 O24 2.631(3) .
Eu2 O32 2.327(3) 4_556
Eu2 O41 2.387(3) .
Eu2 C28 2.914(4) .
Cl1 Eu2 2.8556(9) 4
O11 Eu1 2.296(3) 3_446
O11 C17 1.256(5) .
O12 Eu2 2.339(3) 2_446
O12 C17 1.241(5) .
O13 C18 1.252(5) .
O14 C18 1.248(5) .
O21 Eu1 2.390(3) 4_455
O21 C27 1.247(6) .
O22 Eu1 2.816(3) 4_455
O22 Eu2 2.359(3) 4_455
O22 C27 1.256(5) .
O23 C28 1.242(5) .
O24 C28 1.265(5) .
O31 C34 1.244(5) .
O32 Eu2 2.327(3) 4
O32 C34 1.248(5) .
O41 C44 1.251(5) .
O42 C44 1.245(5) .
C11 C12 1.387(7) .
C11 C16 1.385(6) .
C11 C17 1.495(6) .
C12 H12A 0.9299 .
C12 C13 1.381(7) .
C13 H13A 0.9307 .
C13 C14 1.383(6) .
C14 C15 1.376(6) .
C14 C18 1.499(6) .
C15 H15A 0.9301 .
C15 C16 1.383(6) .
C16 H16A 0.9295 .
C21 C22 1.377(7) .
C21 C26 1.387(6) .
C21 C27 1.493(6) .
C22 H22A 0.9299 .
C22 C23 1.380(7) .
C23 H23A 0.9299 .
C23 C24 1.382(7) .
C24 C25 1.376(7) .
C24 C28 1.496(6) .
C25 H25A 0.9299 .
C25 C26 1.375(6) .
C26 H26A 0.9299 .
C27 Eu1 2.965(4) 4_455
C31 C32 1.367(7) .
C31 C33 1.384(7) .
C31 C34 1.498(6) .
C32 H32A 0.9303 .
C32 C33 1.383(7) 3_546
C33 C32 1.383(7) 3_546
C33 H33A 0.9296 .
C41 C42 1.377(6) .
C41 C43 1.384(6) .
C41 C44 1.511(6) .
C42 H42A 0.9295 .
C42 C43 1.389(6) 3_456
C43 C42 1.389(6) 3_456
C43 H43A 0.9302 .
N1 C1 1.294(10) .
N1 C3 1.332(9) .
N1 C4 1.490(10) .
N2 C1 1.314(10) .
N2 C2 1.348(8) .
N2 C7 1.470(10) .
C1 H1A 0.9300 .
C2 H2A 0.9300 .
C2 C3 1.312(9) .
C3 H3A 0.9300 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C5 C6 1.378(13) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 C7 1.449(16) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
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
Eu1 Eu2 O13 C18 -16.0(5) . .
Eu1 Eu2 O23 C28 -14.7(3) . .
Eu1 Eu2 O24 C28 170.8(3) . .
Eu1 Eu2 O41 C44 -0.3(4) . .
Eu1 Eu2 C28 O23 163.0(3) . .
Eu1 Eu2 C28 O24 -6.0(2) . .
Eu1 Eu2 C28 C24 -114.3(14) . .
Eu1 O11 C17 O12 67.8(7) 3_446 .
Eu1 O11 C17 C11 -114.1(4) 3_446 .
Eu1 O14 C18 O13 -41.0(7) . .
Eu1 O14 C18 C14 139.3(3) . .
Eu1 O21 C27 O22 4.9(5) 4_455 .
Eu1 O21 C27 C21 -174.2(3) 4_455 .
Eu1 O22 C27 O21 -4.1(4) 4_455 .
Eu1 O22 C27 C21 175.1(4) 4_455 .
Eu1 O24 C28 Eu2 152.3(9) . .
Eu1 O24 C28 O23 141.4(7) . .
Eu1 O24 C28 C24 -42.0(11) . .
Eu1 O31 C34 O32 10.5(12) . .
Eu1 O31 C34 C31 -170.2(6) . .
Eu1 O42 C44 O41 37.6(8) . .
Eu1 O42 C44 C41 -139.3(4) . .
Eu2 Eu1 Cl1 Eu2 -155.558(18) . 4
Eu2 Eu1 O14 C18 21.3(4) . .
Eu2 Eu1 O24 C28 -150.8(10) . .
Eu2 Eu1 O31 C34 171.3(7) . .
Eu2 Eu1 O42 C44 -26.7(5) . .
Eu2 O12 C17 O11 -38.8(8) 2_446 .
Eu2 O12 C17 C11 143.1(4) 2_446 .
Eu2 O13 C18 O14 38.5(8) . .
Eu2 O13 C18 C14 -141.8(4) . .
Eu2 O22 C27 Eu1 -149(2) 4_455 4_455
Eu2 O22 C27 O21 -153(2) 4_455 .
Eu2 O22 C27 C21 26(3) 4_455 .
Eu2 O23 C28 O24 11.7(5) . .
Eu2 O23 C28 C24 -165.0(3) . .
Eu2 O24 C28 O23 -10.9(4) . .
Eu2 O24 C28 C24 165.8(4) . .
Eu2 O32 C34 O31 -19.5(10) 4 .
Eu2 O32 C34 C31 161.2(4) 4 .
Eu2 O41 C44 O42 -15.9(8) . .
Eu2 O41 C44 C41 161.1(3) . .
Cl1 Eu1 Eu2 Cl1 -149.92(6) . 4_556
Cl1 Eu1 Eu2 O12 55.31(14) . 2_456
Cl1 Eu1 Eu2 O13 -175.10(11) . .
Cl1 Eu1 Eu2 O22 -81.41(12) . 4_656
Cl1 Eu1 Eu2 O23 107.51(10) . .
Cl1 Eu1 Eu2 O24 95.78(13) . .
Cl1 Eu1 Eu2 O32 -49.18(11) . 4_556
Cl1 Eu1 Eu2 O41 15.10(10) . .
Cl1 Eu1 Eu2 C28 100.37(11) . .
Cl1 Eu1 O14 C18 -169.8(3) . .
Cl1 Eu1 O24 Eu2 -120.89(9) . .
Cl1 Eu1 O24 C28 88.3(9) . .
Cl1 Eu1 O31 C34 -31.5(8) . .
Cl1 Eu1 O42 C44 158.5(5) . .
Cl1 Eu2 O13 C18 -176.0(5) 4_556 .
Cl1 Eu2 O23 C28 -145.7(3) 4_556 .
Cl1 Eu2 O24 Eu1 -99.63(12) 4_556 .
Cl1 Eu2 O24 C28 71.2(3) 4_556 .
Cl1 Eu2 O41 C44 151.3(3) 4_556 .
Cl1 Eu2 C28 O23 41.0(3) 4_556 .
Cl1 Eu2 C28 O24 -128.0(2) 4_556 .
Cl1 Eu2 C28 C24 123.7(14) 4_556 .
O11 Eu1 Eu2 Cl1 102.19(10) 3_446 4_556
O11 Eu1 Eu2 O12 -52.57(17) 3_446 2_456
O11 Eu1 Eu2 O13 77.01(14) 3_446 .
O11 Eu1 Eu2 O22 170.70(15) 3_446 4_656
O11 Eu1 Eu2 O23 -0.38(13) 3_446 .
O11 Eu1 Eu2 O24 -12.10(16) 3_446 .
O11 Eu1 Eu2 O32 -157.07(14) 3_446 4_556
O11 Eu1 Eu2 O41 -92.78(13) 3_446 .
O11 Eu1 Eu2 C28 -7.52(14) 3_446 .
O11 Eu1 Cl1 Eu2 -35.60(9) 3_446 4
O11 Eu1 O14 C18 -96.2(4) 3_446 .
O11 Eu1 O24 Eu2 168.82(14) 3_446 .
O11 Eu1 O24 C28 18.0(9) 3_446 .
O11 Eu1 O31 C34 53.2(8) 3_446 .
O11 Eu1 O42 C44 83.1(5) 3_446 .
O12 Eu2 O13 C18 120.0(5) 2_456 .
O12 Eu2 O23 C28 132.5(3) 2_456 .
O12 Eu2 O24 Eu1 153.25(12) 2_456 .
O12 Eu2 O24 C28 -35.9(3) 2_456 .
O12 Eu2 O41 C44 -155.0(4) 2_456 .
O12 Eu2 C28 O23 -44.4(3) 2_456 .
O12 Eu2 C28 O24 146.6(3) 2_456 .
O12 Eu2 C28 C24 38.3(14) 2_456 .
O13 Eu2 O23 C28 -80.8(3) . .
O13 Eu2 O24 Eu1 -76.14(14) . .
O13 Eu2 O24 C28 94.7(3) . .
O13 Eu2 O41 C44 -13.2(5) . .
O13 Eu2 C28 O23 92.4(3) . .
O13 Eu2 C28 O24 -76.6(3) . .
O13 Eu2 C28 C24 175.1(14) . .
O14 Eu1 Eu2 Cl1 22.76(10) . 4_556
O14 Eu1 Eu2 O12 -132.00(17) . 2_456
O14 Eu1 Eu2 O13 -2.42(14) . .
O14 Eu1 Eu2 O22 91.27(15) . 4_656
O14 Eu1 Eu2 O23 -79.81(13) . .
O14 Eu1 Eu2 O24 -91.53(16) . .
O14 Eu1 Eu2 O32 123.50(14) . 4_556
O14 Eu1 Eu2 O41 -172.21(13) . .
O14 Eu1 Eu2 C28 -86.95(14) . .
O14 Eu1 Cl1 Eu2 39.7(2) . 4
O14 Eu1 O24 Eu2 75.39(13) . .
O14 Eu1 O24 C28 -75.5(9) . .
O14 Eu1 O31 C34 145.8(8) . .
O14 Eu1 O42 C44 -26.7(6) . .
O21 Eu1 Eu2 Cl1 -67.39(10) 4_656 4_556
O21 Eu1 Eu2 O12 137.85(17) 4_656 2_456
O21 Eu1 Eu2 O13 -92.57(14) 4_656 .
O21 Eu1 Eu2 O22 1.12(15) 4_656 4_656
O21 Eu1 Eu2 O23 -169.96(13) 4_656 .
O21 Eu1 Eu2 O24 178.32(16) 4_656 .
O21 Eu1 Eu2 O32 33.35(14) 4_656 4_556
O21 Eu1 Eu2 O41 97.64(13) 4_656 .
O21 Eu1 Eu2 C28 -177.10(14) 4_656 .
O21 Eu1 Cl1 Eu2 124.19(10) 4_656 4
O21 Eu1 O14 C18 105.3(4) 4_656 .
O21 Eu1 O24 Eu2 -1.98(18) 4_656 .
O21 Eu1 O24 C28 -152.8(9) 4_656 .
O21 Eu1 O31 C34 -123.6(8) 4_656 .
O21 Eu1 O42 C44 -111.1(5) 4_656 .
O22 Eu1 Eu2 Cl1 -68.51(12) 4_656 4_556
O22 Eu1 Eu2 O12 136.73(18) 4_656 2_456
O22 Eu1 Eu2 O13 -93.69(15) 4_656 .
O22 Eu1 Eu2 O23 -171.08(14) 4_656 .
O22 Eu1 Eu2 O24 177.19(17) 4_656 .
O22 Eu1 Eu2 O32 32.23(15) 4_656 4_556
O22 Eu1 Eu2 O41 96.51(15) 4_656 .
O22 Eu1 Eu2 C28 -178.22(15) 4_656 .
O22 Eu1 Cl1 Eu2 162.10(8) 4_656 4
O22 Eu1 O14 C18 57.8(4) 4_656 .
O22 Eu1 O24 Eu2 -1.67(10) 4_656 .
O22 Eu1 O24 C28 -152.5(9) 4_656 .
O22 Eu1 O31 C34 -152.5(8) 4_656 .
O22 Eu1 O42 C44 -64.4(5) 4_656 .
O22 Eu2 O13 C18 -60.8(5) 4_656 .
O22 Eu2 O23 C28 -22.3(3) 4_656 .
O22 Eu2 O24 Eu1 1.96(12) 4_656 .
O22 Eu2 O24 C28 172.8(3) 4_656 .
O22 Eu2 O41 C44 43.2(4) 4_656 .
O22 Eu2 C28 O23 161.8(3) 4_656 .
O22 Eu2 C28 O24 -7.2(3) 4_656 .
O22 Eu2 C28 C24 -115.5(14) 4_656 .
O23 Eu2 O13 C18 73.8(5) . .
O23 Eu2 O24 Eu1 -164.8(2) . .
O23 Eu2 O24 C28 6.0(2) . .
O23 Eu2 O41 C44 -83.9(4) . .
O23 Eu2 C28 O24 -169.0(4) . .
O23 Eu2 C28 C24 82.7(14) . .
O24 Eu1 Eu2 Cl1 114.29(13) . 4_556
O24 Eu1 Eu2 O12 -40.47(19) . 2_456
O24 Eu1 Eu2 O13 89.11(16) . .
O24 Eu1 Eu2 O22 -177.19(17) . 4_656
O24 Eu1 Eu2 O23 11.73(15) . .
O24 Eu1 Eu2 O32 -144.97(16) . 4_556
O24 Eu1 Eu2 O41 -80.68(16) . .
O24 Eu1 Eu2 C28 4.58(16) . .
O24 Eu1 Cl1 Eu2 -103.60(10) . 4
O24 Eu1 O14 C18 -19.0(4) . .
O24 Eu1 O31 C34 107.0(8) . .
O24 Eu1 O42 C44 14.8(5) . .
O24 Eu2 O13 C18 21.2(5) . .
O24 Eu2 O23 C28 -6.2(3) . .
O24 Eu2 O41 C44 -37.3(4) . .
O24 Eu2 C28 O23 169.0(4) . .
O24 Eu2 C28 C24 -108.3(15) . .
O31 Eu1 Eu2 Cl1 -3.87(17) . 4_556
O31 Eu1 Eu2 O12 -158.6(2) . 2_456
O31 Eu1 Eu2 O13 -29.1(2) . .
O31 Eu1 Eu2 O22 64.6(2) . 4_656
O31 Eu1 Eu2 O23 -106.44(19) . .
O31 Eu1 Eu2 O24 -118.2(2) . .
O31 Eu1 Eu2 O32 96.9(2) . 4_556
O31 Eu1 Eu2 O41 161.15(19) . .
O31 Eu1 Eu2 C28 -113.6(2) . .
O31 Eu1 Cl1 Eu2 45.52(11) . 4
O31 Eu1 O14 C18 -175.6(4) . .
O31 Eu1 O24 Eu2 114.45(18) . .
O31 Eu1 O24 C28 -36.4(10) . .
O31 Eu1 O42 C44 -175.7(4) . .
O32 Eu2 O13 C18 -123.5(5) 4_556 .
O32 Eu2 O23 C28 124.1(3) 4_556 .
O32 Eu2 O24 Eu1 57.6(2) 4_556 .
O32 Eu2 O24 C28 -131.6(3) 4_556 .
O32 Eu2 O41 C44 126.2(4) 4_556 .
O32 Eu2 C28 O23 -102.0(4) 4_556 .
O32 Eu2 C28 O24 89.0(3) 4_556 .
O32 Eu2 C28 C24 -19.3(15) 4_556 .
O41 Eu2 O13 C18 -2.7(6) . .
O41 Eu2 O23 C28 54.5(3) . .
O41 Eu2 O24 Eu1 85.45(14) . .
O41 Eu2 O24 C28 -103.7(3) . .
O41 Eu2 C28 O23 -122.9(3) . .
O41 Eu2 C28 O24 68.1(3) . .
O41 Eu2 C28 C24 -40.2(14) . .
O42 Eu1 Eu2 Cl1 -157.29(10) . 4_556
O42 Eu1 Eu2 O12 47.95(17) . 2_456
O42 Eu1 Eu2 O13 177.53(14) . .
O42 Eu1 Eu2 O22 -88.78(15) . 4_656
O42 Eu1 Eu2 O23 100.14(13) . .
O42 Eu1 Eu2 O24 88.42(16) . .
O42 Eu1 Eu2 O32 -56.55(14) . 4_556
O42 Eu1 Eu2 O41 7.74(13) . .
O42 Eu1 Eu2 C28 93.00(14) . .
O42 Eu1 Cl1 Eu2 -148.56(10) . 4
O42 Eu1 O14 C18 21.2(5) . .
O42 Eu1 O24 Eu2 -74.96(13) . .
O42 Eu1 O24 C28 134.2(9) . .
O42 Eu1 O31 C34 -56.7(9) . .
C11 C12 C13 C14 0.0(9) . .
C12 C11 C16 C15 0.7(8) . .
C12 C11 C17 O11 161.2(5) . .
C12 C11 C17 O12 -20.6(7) . .
C12 C13 C14 C15 0.6(8) . .
C12 C13 C14 C18 179.4(5) . .
C13 C14 C15 C16 -0.4(8) . .
C13 C14 C18 O13 6.7(7) . .
C13 C14 C18 O14 -173.6(5) . .
C14 C15 C16 C11 -0.2(8) . .
C15 C14 C18 O13 -174.5(5) . .
C15 C14 C18 O14 5.3(7) . .
C16 C11 C12 C13 -0.6(8) . .
C16 C11 C17 O11 -17.6(7) . .
C16 C11 C17 O12 160.6(5) . .
C17 C11 C12 C13 -179.5(5) . .
C17 C11 C16 C15 179.6(5) . .
C18 C14 C15 C16 -179.3(5) . .
C21 C22 C23 C24 0.1(9) . .
C22 C21 C26 C25 -2.0(7) . .
C22 C21 C27 Eu1 177.5(14) . 4_455
C22 C21 C27 O21 -157.4(5) . .
C22 C21 C27 O22 23.5(7) . .
C22 C23 C24 C25 -2.0(8) . .
C22 C23 C24 C28 173.7(5) . .
C23 C24 C25 C26 1.8(7) . .
C23 C24 C28 Eu2 -99.9(14) . .
C23 C24 C28 O23 -24.9(7) . .
C23 C24 C28 O24 158.3(5) . .
C24 C25 C26 C21 0.2(7) . .
C25 C24 C28 Eu2 75.8(15) . .
C25 C24 C28 O23 150.7(5) . .
C25 C24 C28 O24 -26.0(6) . .
C26 C21 C22 C23 1.9(8) . .
C26 C21 C27 Eu1 -0.7(19) . 4_455
C26 C21 C27 O21 24.5(7) . .
C26 C21 C27 O22 -154.7(4) . .
C27 Eu1 Eu2 Cl1 -66.63(10) 4_656 4_556
C27 Eu1 Eu2 O12 138.61(17) 4_656 2_456
C27 Eu1 Eu2 O13 -91.81(14) 4_656 .
C27 Eu1 Eu2 O22 1.88(15) 4_656 4_656
C27 Eu1 Eu2 O23 -169.20(13) 4_656 .
C27 Eu1 Eu2 O24 179.08(16) 4_656 .
C27 Eu1 Eu2 O32 34.11(14) 4_656 4_556
C27 Eu1 Eu2 O41 98.40(14) 4_656 .
C27 Eu1 Eu2 C28 -176.34(14) 4_656 .
C27 Eu1 Cl1 Eu2 140.33(10) 4_656 4
C27 Eu1 O14 C18 82.8(4) 4_656 .
C27 Eu1 O24 Eu2 -0.81(14) 4_656 .
C27 Eu1 O24 C28 -151.7(9) 4_656 .
C27 Eu1 O31 C34 -137.8(8) 4_656 .
C27 Eu1 O42 C44 -88.6(5) 4_656 .
C27 C21 C22 C23 -176.3(5) . .
C27 C21 C26 C25 176.2(4) . .
C28 Eu2 O13 C18 48.0(5) . .
C28 Eu2 O24 Eu1 -170.8(3) . .
C28 Eu2 O41 C44 -63.1(4) . .
C28 C24 C25 C26 -173.8(4) . .
C32 C31 C33 C32 -0.1(10) . 3_546
C32 C31 C34 O31 174.5(5) . .
C32 C31 C34 O32 -6.2(8) . .
C33 C31 C32 C33 0.1(11) . 3_546
C33 C31 C34 O31 -5.5(8) . .
C33 C31 C34 O32 173.9(5) . .
C34 C31 C32 C33 -179.9(6) . 3_546
C34 C31 C33 C32 179.9(6) . 3_546
C42 C41 C43 C42 1.2(8) . 3_456
C42 C41 C44 O41 -156.0(4) . .
C42 C41 C44 O42 21.3(7) . .
C43 C41 C42 C43 -1.2(8) . 3_456
C43 C41 C44 O41 22.7(7) . .
C43 C41 C44 O42 -160.1(5) . .
C44 C41 C42 C43 177.5(4) . 3_456
C44 C41 C43 C42 -177.4(4) . 3_456
N2 C2 C3 N1 0.1(8) . .
C1 N1 C3 C2 -0.6(8) . .
C1 N2 C2 C3 0.4(8) . .
C1 N2 C7 C6 130.9(11) . .
C2 N2 C1 N1 -0.7(9) . .
C2 N2 C7 C6 -53.0(14) . .
C3 N1 C1 N2 0.8(9) . .
C4 N1 C1 N2 -179.8(7) . .
C4 N1 C3 C2 -179.9(7) . .
C5 C6 C7 N2 -54.1(18) . .
C7 N2 C1 N1 176.1(8) . .
C7 N2 C2 C3 -176.4(8) . .
