#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/65/7106528.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_7106528
loop_
_publ_author_name
'Jian-Ke Sun'
'Li-Xuan Cai'
'Yong-Juan Chen'
'Zhao-Hui Li'
'Jie Zhang'
_publ_section_title
;
 Reversible luminescence switch in a photochromic metal-organic framework
;
_journal_name_full               Chem.Commun.
_journal_page_first              6870
_journal_paper_doi               10.1039/c1cc11550b
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C46 H47 Eu N5 O20'
_chemical_formula_sum            'C46 H47 Eu N5 O20'
_chemical_formula_weight         1141.85
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.817(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.219(3)
_cell_length_b                   16.005(4)
_cell_length_c                   24.834(6)
_cell_measurement_reflns_used    11414
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      3.0287
_cell_volume                     4851(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Saturn70 (4x4 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            35823
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        <1.0
_exptl_absorpt_coefficient_mu    1.378
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7500
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2324
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.887
_refine_diff_density_min         -0.748
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     642
_refine_ls_number_reflns         10822
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0679P)²+2.3796P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1223
_reflns_number_gt                8984
_reflns_number_total             10822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11550b.txt
_cod_data_source_block           Eu
_cod_original_cell_volume        4851.0(19)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7106528
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.619427(13) 0.628969(10) 0.659478(6) 0.04424(8) Uani 1 1 d . . .
O1 O 0.5436(2) 0.51538(16) 0.71204(10) 0.0549(6) Uani 1 1 d . . .
O2 O 0.4312(2) 0.57307(16) 0.65047(10) 0.0548(6) Uani 1 1 d . . .
O3 O 0.7745(3) 0.5295(2) 0.66811(14) 0.0776(8) Uani 1 1 d . A .
O4 O 0.6555(2) 0.51043(16) 0.60044(11) 0.0611(6) Uani 1 1 d . A .
O5 O 0.5234(2) 0.69258(17) 0.73717(10) 0.0593(6) Uani 1 1 d . . .
O6 O 0.7020(2) 0.67992(17) 0.74553(10) 0.0577(6) Uani 1 1 d . . .
O7 O -0.5388(2) 0.23427(17) 0.36898(10) 0.0615(6) Uani 1 1 d . . .
O8 O -0.5783(2) 0.32139(16) 0.43326(10) 0.0590(6) Uani 1 1 d . . .
O9 O 0.7854(2) 0.70076(19) 0.63100(12) 0.0662(7) Uani 1 1 d . . .
N1 N 0.0120(2) 0.3433(2) 0.77269(12) 0.0572(7) Uani 1 1 d . . .
N2 N -0.3178(2) 0.06632(17) 0.62154(12) 0.0515(7) Uani 1 1 d . . .
N3 N 0.7255(2) 0.94634(17) 0.96953(10) 0.0446(6) Uani 1 1 d . . .
C1 C 0.4475(3) 0.5281(2) 0.69205(13) 0.0483(7) Uani 1 1 d . . .
C2 C 0.3519(3) 0.4926(2) 0.71999(13) 0.0474(7) Uani 1 1 d . . .
C3 C 0.3687(3) 0.4347(2) 0.76112(14) 0.0519(8) Uani 1 1 d . . .
H3 H 0.4391 0.4154 0.7700 0.062 Uiso 1 1 calc R . .
C4 C 0.2814(3) 0.4055(2) 0.78896(15) 0.0567(8) Uani 1 1 d . . .
H4 H 0.2930 0.3667 0.8166 0.068 Uiso 1 1 calc R . .
C5 C 0.1762(3) 0.4343(3) 0.77556(15) 0.0567(9) Uani 1 1 d . . .
C6 C 0.1596(3) 0.4918(3) 0.73412(16) 0.0594(9) Uani 1 1 d . . .
H6 H 0.0892 0.5110 0.7250 0.071 Uiso 1 1 calc R . .
C7 C 0.2469(3) 0.5206(2) 0.70639(15) 0.0559(8) Uani 1 1 d . . .
H7 H 0.2354 0.5588 0.6785 0.067 Uiso 1 1 calc R . .
C8 C 0.0799(3) 0.4037(3) 0.80599(16) 0.0692(11) Uani 1 1 d . . .
H8A H 0.1064 0.3767 0.8391 0.083 Uiso 1 1 calc R . .
H8B H 0.0350 0.4510 0.8155 0.083 Uiso 1 1 calc R . .
C9 C 0.0574(3) 0.2736(3) 0.75460(16) 0.0609(9) Uani 1 1 d . . .
H9 H 0.1316 0.2636 0.7622 0.073 Uiso 1 1 calc R . .
C10 C -0.0039(3) 0.2163(2) 0.72491(16) 0.0576(9) Uani 1 1 d . . .
H10 H 0.0287 0.1683 0.7119 0.069 Uiso 1 1 calc R . .
C11 C -0.1154(3) 0.2309(2) 0.71451(13) 0.0496(7) Uani 1 1 d . . .
C12 C -0.1593(3) 0.3035(3) 0.73315(17) 0.0634(10) Uani 1 1 d . . .
H12 H -0.2331 0.3153 0.7259 0.076 Uiso 1 1 calc R . .
C13 C -0.0945(3) 0.3591(3) 0.7627(2) 0.0686(11) Uani 1 1 d . . .
H13 H -0.1251 0.4078 0.7757 0.082 Uiso 1 1 calc R . .
C14 C -0.1845(3) 0.1710(2) 0.68278(13) 0.0473(7) Uani 1 1 d . . .
C15 C -0.1428(3) 0.1246(2) 0.64066(16) 0.0547(8) Uani 1 1 d . . .
H15 H -0.0692 0.1288 0.6332 0.066 Uiso 1 1 calc R . .
C16 C -0.2109(3) 0.0729(2) 0.61042(15) 0.0560(8) Uani 1 1 d . . .
H16 H -0.1836 0.0423 0.5822 0.067 Uiso 1 1 calc R . .
C17 C -0.3624(3) 0.1083(2) 0.66189(11) 0.0409(6) Uani 1 1 d . . .
H17 H -0.4365 0.1033 0.6681 0.049 Uiso 1 1 calc R . .
C18 C -0.2934(3) 0.1604(2) 0.69459(14) 0.0499(7) Uani 1 1 d . . .
H18 H -0.3211 0.1877 0.7241 0.060 Uiso 1 1 calc R . .
C19 C -0.3925(3) 0.0178(2) 0.58402(17) 0.0613(9) Uani 1 1 d . . .
H19A H -0.4534 -0.0044 0.6032 0.074 Uiso 1 1 calc R . .
H19B H -0.3533 -0.0286 0.5688 0.074 Uiso 1 1 calc R . .
C20 C -0.4338(3) 0.0765(2) 0.53980(15) 0.0535(8) Uani 1 1 d . . .
C21 C -0.3809(3) 0.0806(2) 0.49156(17) 0.0591(9) Uani 1 1 d . . .
H21 H -0.3217 0.0457 0.4861 0.071 Uiso 1 1 calc R . .
C22 C -0.4156(3) 0.1363(2) 0.45169(17) 0.0586(9) Uani 1 1 d . . .
H22 H -0.3808 0.1380 0.4192 0.070 Uiso 1 1 calc R . .
C23 C -0.5031(3) 0.1898(2) 0.46039(13) 0.0493(7) Uani 1 1 d . . .
C24 C -0.5550(3) 0.1857(2) 0.50836(15) 0.0578(9) Uani 1 1 d . . .
H24 H -0.6128 0.2217 0.5144 0.069 Uiso 1 1 calc R . .
C25 C -0.5219(4) 0.1285(2) 0.54753(16) 0.0573(9) Uani 1 1 d . . .
H25 H -0.5591 0.1251 0.5792 0.069 Uiso 1 1 calc R . .
C26 C -0.5417(3) 0.2514(2) 0.41805(14) 0.0511(7) Uani 1 1 d . . .
C27 C 0.6124(3) 0.7057(2) 0.76275(13) 0.0466(7) Uani 1 1 d . . .
C28 C 0.6127(3) 0.75573(19) 0.81412(12) 0.0421(6) Uani 1 1 d . . .
C29 C 0.7045(3) 0.7579(2) 0.84927(14) 0.0519(8) Uani 1 1 d . . .
H29 H 0.7653 0.7252 0.8426 0.062 Uiso 1 1 calc R . .
C30 C 0.7052(3) 0.8089(2) 0.89437(13) 0.0520(8) Uani 1 1 d . . .
H30 H 0.7665 0.8097 0.9181 0.062 Uiso 1 1 calc R . .
C31 C 0.6156(3) 0.85899(19) 0.90474(12) 0.0408(6) Uani 1 1 d . . .
C32 C 0.5233(3) 0.8547(2) 0.87032(13) 0.0451(7) Uani 1 1 d . . .
H32 H 0.4620 0.8867 0.8772 0.054 Uiso 1 1 calc R . .
C33 C 0.5221(3) 0.8028(2) 0.82552(13) 0.0453(7) Uani 1 1 d . . .
H33 H 0.4593 0.7996 0.8029 0.054 Uiso 1 1 calc R . .
C34 C 0.6136(3) 0.9175(2) 0.95264(13) 0.0477(7) Uani 1 1 d . . .
H34A H 0.5680 0.9654 0.9432 0.057 Uiso 1 1 calc R . .
H34B H 0.5816 0.8889 0.9825 0.057 Uiso 1 1 calc R . .
C35 C 0.7710(3) 1.0093(2) 0.94274(15) 0.0564(9) Uani 1 1 d . . .
H35 H 0.7297 1.0382 0.9164 0.068 Uiso 1 1 calc R . .
C36 C 0.8779(3) 1.0311(2) 0.95412(15) 0.0570(9) Uani 1 1 d . . .
H36 H 0.9088 1.0746 0.9352 0.068 Uiso 1 1 calc R . .
C37 C 0.9412(3) 0.98867(18) 0.99394(12) 0.0424(6) Uani 1 1 d . . .
C38 C 0.8906(3) 0.9250(2) 1.02105(12) 0.0467(7) Uani 1 1 d . . .
H38 H 0.9295 0.8960 1.0482 0.056 Uiso 1 1 calc R . .
C39 C 0.7835(3) 0.9044(2) 1.00823(13) 0.0473(7) Uani 1 1 d . . .
H39 H 0.7507 0.8610 1.0264 0.057 Uiso 1 1 calc R . .
C40 C 0.7423(4) 0.4909(2) 0.62606(18) 0.0617(10) Uani 1 1 d D . .
C41A C 0.8203(5) 0.4243(4) 0.6111(3) 0.056(2) Uani 0.609(7) 1 d PGD A 1
C42A C 0.7822(4) 0.3660(4) 0.5732(3) 0.072(3) Uani 0.609(7) 1 d PG A 1
H42A H 0.7100 0.3683 0.5596 0.086 Uiso 0.609(7) 1 calc PR A 1
C43A C 0.8520(6) 0.3042(4) 0.5556(3) 0.105(4) Uani 0.609(7) 1 d PG A 1
H43A H 0.8265 0.2652 0.5303 0.125 Uiso 0.609(7) 1 calc PR A 1
C44A C 0.9599(5) 0.3008(4) 0.5760(3) 0.106(5) Uani 0.609(7) 1 d PG A 1
H44A H 1.0066 0.2595 0.5642 0.127 Uiso 0.609(7) 1 calc PR A 1
C45A C 0.9981(4) 0.3591(5) 0.6138(3) 0.098(4) Uani 0.609(7) 1 d PG A 1
H45A H 1.0703 0.3569 0.6274 0.118 Uiso 0.609(7) 1 calc PR A 1
C46A C 0.9282(5) 0.4209(5) 0.6314(3) 0.077(3) Uani 0.609(7) 1 d PG A 1
H46A H 0.9538 0.4600 0.6568 0.093 Uiso 0.609(7) 1 calc PR A 1
C41B C 0.7896(9) 0.4138(7) 0.5957(5) 0.056(2) Uani 0.39 1 d PGD A 2
C42B C 0.7368(8) 0.3650(8) 0.5560(5) 0.072(3) Uani 0.39 1 d PG A 2
H42B H 0.6644 0.3761 0.5452 0.086 Uiso 0.391(7) 1 calc PR A 2
C43B C 0.7924(10) 0.2996(7) 0.5326(5) 0.105(4) Uani 0.39 1 d PG A 2
H43B H 0.7571 0.2669 0.5061 0.125 Uiso 0.391(7) 1 calc PR A 2
C44B C 0.9007(10) 0.2831(7) 0.5489(5) 0.106(5) Uani 0.39 1 d PG A 2
H44B H 0.9379 0.2393 0.5332 0.127 Uiso 0.391(7) 1 calc PR A 2
C45B C 0.9535(7) 0.3319(8) 0.5885(6) 0.098(4) Uani 0.39 1 d PG A 2
H45B H 1.0260 0.3208 0.5994 0.118 Uiso 0.391(7) 1 calc PR A 2
C46B C 0.8979(9) 0.3973(8) 0.6119(5) 0.077(3) Uani 0.39 1 d PG A 2
H46B H 0.9332 0.4299 0.6384 0.093 Uiso 0.391(7) 1 calc PR A 2
N4 N 0.9340(6) 0.2031(5) 0.8703(2) 0.118(2) Uani 1 1 d . . .
O10 O 0.8280(5) 0.1962(4) 0.8736(4) 0.186(3) Uani 1 1 d . . .
O11 O 0.9610(6) 0.2787(5) 0.8777(3) 0.190(3) Uani 1 1 d . . .
O12 O 0.9885(3) 0.1501(3) 0.85908(18) 0.0888(11) Uani 1 1 d . . .
N5 N 0.8204(4) 0.8547(3) 0.53438(18) 0.0778(11) Uani 1 1 d . . .
O13 O 0.8425(4) 0.7915(3) 0.51018(19) 0.1103(13) Uani 1 1 d . . .
O14 O 0.8352(6) 0.9246(3) 0.5157(2) 0.153(2) Uani 1 1 d . . .
O15 O 0.7777(3) 0.8511(2) 0.57829(15) 0.0846(9) Uani 1 1 d . . .
O1W O 0.6589(4) 0.1891(4) 0.3150(2) 0.152(2) Uani 1 1 d . . .
O2W O 0.6114(4) 0.5097(4) 0.8243(2) 0.144(2) Uani 1 1 d . . .
O3W O 0.8682(5) 0.5493(3) 0.7936(5) 0.238(5) Uani 1 1 d . . .
O4WA O 0.880(3) 0.089(3) 0.4093(19) 0.44(2) Uiso 0.50 1 d P . .
O4WB O 0.8922(17) 0.1187(11) 0.4716(9) 0.220(8) Uiso 0.50 1 d P . .
O5WA O 0.144(2) 0.0826(18) 0.6072(11) 0.302(11) Uiso 0.50 1 d P . .
O5WB O 0.029(2) 0.0350(19) 0.5629(13) 0.341(13) Uiso 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'
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'
Eu Eu -0.1578 3.6682 '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
_geom_angle_publ_flag
O1 Eu1 O4 80.10(9) . . ?
O1 Eu1 O6 86.14(9) . . ?
O4 Eu1 O6 134.33(9) . . ?
O1 Eu1 O9 146.94(9) . . ?
O4 Eu1 O9 90.82(10) . . ?
O6 Eu1 O9 77.67(9) . . ?
O1 Eu1 O8 132.28(9) . 3_566 ?
O4 Eu1 O8 74.04(9) . 3_566 ?
O6 Eu1 O8 139.63(10) . 3_566 ?
O9 Eu1 O8 73.41(10) . 3_566 ?
O1 Eu1 O2 53.36(8) . . ?
O4 Eu1 O2 81.93(9) . . ?
O6 Eu1 O2 122.69(8) . . ?
O9 Eu1 O2 156.84(9) . . ?
O8 Eu1 O2 83.44(9) 3_566 . ?
O1 Eu1 O3 77.54(10) . . ?
O4 Eu1 O3 52.73(11) . . ?
O6 Eu1 O3 81.87(11) . . ?
O9 Eu1 O3 71.81(11) . . ?
O8 Eu1 O3 114.10(10) 3_566 . ?
O2 Eu1 O3 118.71(10) . . ?
O1 Eu1 O7 130.53(9) . 3_566 ?
O4 Eu1 O7 126.26(9) . 3_566 ?
O6 Eu1 O7 95.45(9) . 3_566 ?
O9 Eu1 O7 80.12(10) . 3_566 ?
O8 Eu1 O7 52.51(8) 3_566 3_566 ?
O2 Eu1 O7 86.49(9) . 3_566 ?
O3 Eu1 O7 151.75(10) . 3_566 ?
O1 Eu1 O5 71.89(9) . . ?
O4 Eu1 O5 150.98(9) . . ?
O6 Eu1 O5 52.20(8) . . ?
O9 Eu1 O5 116.85(9) . . ?
O8 Eu1 O5 120.24(9) 3_566 . ?
O2 Eu1 O5 75.47(8) . . ?
O3 Eu1 O5 125.19(10) . . ?
O7 Eu1 O5 70.70(9) 3_566 . ?
O1 Eu1 C1 26.90(9) . . ?
O4 Eu1 C1 83.46(9) . . ?
O6 Eu1 C1 102.81(9) . . ?
O9 Eu1 C1 172.42(10) . . ?
O8 Eu1 C1 109.54(10) 3_566 . ?
O2 Eu1 C1 26.89(9) . . ?
O3 Eu1 C1 100.70(11) . . ?
O7 Eu1 C1 107.28(10) 3_566 . ?
O5 Eu1 C1 68.15(9) . . ?
O1 Eu1 C40 78.22(10) . . ?
O4 Eu1 C40 26.24(11) . . ?
O6 Eu1 C40 108.33(12) . . ?
O9 Eu1 C40 79.82(11) . . ?
O8 Eu1 C40 93.71(10) 3_566 . ?
O2 Eu1 C40 101.34(11) . . ?
O3 Eu1 C40 26.51(12) . . ?
O7 Eu1 C40 144.58(10) 3_566 . ?
O5 Eu1 C40 144.72(10) . . ?
C1 Eu1 C40 92.93(10) . . ?
O1 Eu1 C26 137.59(9) . 3_566 ?
O4 Eu1 C26 100.37(10) . 3_566 ?
O6 Eu1 C26 118.32(10) . 3_566 ?
O9 Eu1 C26 75.17(10) . 3_566 ?
O8 Eu1 C26 26.45(9) 3_566 3_566 ?
O2 Eu1 C26 84.49(9) . 3_566 ?
O3 Eu1 C26 136.04(11) . 3_566 ?
O7 Eu1 C26 26.06(9) 3_566 3_566 ?
O5 Eu1 C26 95.38(10) . 3_566 ?
C1 Eu1 C26 110.69(10) . 3_566 ?
C40 Eu1 C26 119.54(11) . 3_566 ?
C1 O1 Eu1 92.3(2) . . ?
C1 O2 Eu1 91.3(2) . . ?
C40 O3 Eu1 92.1(2) . . ?
C40 O4 Eu1 93.5(3) . . ?
C27 O5 Eu1 91.8(2) . . ?
C27 O6 Eu1 94.43(19) . . ?
C26 O7 Eu1 93.1(2) . 3_566 ?
C26 O8 Eu1 93.7(2) . 3_566 ?
C9 N1 C13 120.8(3) . . ?
C9 N1 C8 119.9(3) . . ?
C13 N1 C8 119.3(4) . . ?
C17 N2 C16 123.0(3) . . ?
C17 N2 C19 118.0(3) . . ?
C16 N2 C19 118.7(3) . . ?
C35 N3 C39 120.8(3) . . ?
C35 N3 C34 119.4(3) . . ?
C39 N3 C34 119.5(3) . . ?
O2 C1 O1 121.1(3) . . ?
O2 C1 C2 119.8(3) . . ?
O1 C1 C2 119.0(3) . . ?
O2 C1 Eu1 61.79(17) . . ?
O1 C1 Eu1 60.83(17) . . ?
C2 C1 Eu1 164.7(2) . . ?
C7 C2 C3 119.8(3) . . ?
C7 C2 C1 119.9(3) . . ?
C3 C2 C1 120.2(3) . . ?
C4 C3 C2 120.3(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.7(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 119.8(3) . . ?
C6 C5 C8 119.7(4) . . ?
C4 C5 C8 120.4(4) . . ?
C7 C6 C5 120.2(4) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C6 C7 C2 120.1(4) . . ?
C6 C7 H7 119.9 . . ?
C2 C7 H7 119.9 . . ?
N1 C8 C5 110.9(3) . . ?
N1 C8 H8A 109.5 . . ?
C5 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 108.0 . . ?
N1 C9 C10 120.9(3) . . ?
N1 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C9 C10 C11 119.3(4) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C12 C11 C10 118.4(3) . . ?
C12 C11 C14 120.4(3) . . ?
C10 C11 C14 121.1(3) . . ?
C11 C12 C13 120.2(4) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
N1 C13 C12 120.4(4) . . ?
N1 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C18 C14 C15 118.8(3) . . ?
C18 C14 C11 119.7(3) . . ?
C15 C14 C11 121.5(3) . . ?
C16 C15 C14 119.8(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
N2 C16 C15 120.1(4) . . ?
N2 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
N2 C17 C18 118.1(3) . . ?
N2 C17 H17 120.9 . . ?
C18 C17 H17 120.9 . . ?
C14 C18 C17 120.1(3) . . ?
C14 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
N2 C19 C20 107.6(3) . . ?
N2 C19 H19A 110.2 . . ?
C20 C19 H19A 110.2 . . ?
N2 C19 H19B 110.2 . . ?
C20 C19 H19B 110.2 . . ?
H19A C19 H19B 108.5 . . ?
C25 C20 C21 119.3(3) . . ?
C25 C20 C19 120.5(4) . . ?
C21 C20 C19 120.1(3) . . ?
C22 C21 C20 120.6(3) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.7(4) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C24 C23 C22 119.5(3) . . ?
C24 C23 C26 119.7(3) . . ?
C22 C23 C26 120.8(3) . . ?
C23 C24 C25 120.6(3) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C20 120.3(4) . . ?
C24 C25 H25 119.9 . . ?
C20 C25 H25 119.9 . . ?
O7 C26 O8 120.7(3) . . ?
O7 C26 C23 121.0(3) . . ?
O8 C26 C23 118.3(3) . . ?
O7 C26 Eu1 60.87(19) . 3_566 ?
O8 C26 Eu1 59.82(18) . 3_566 ?
C23 C26 Eu1 178.0(2) . 3_566 ?
O5 C27 O6 121.3(3) . . ?
O5 C27 C28 119.1(3) . . ?
O6 C27 C28 119.6(3) . . ?
O5 C27 Eu1 62.21(17) . . ?
O6 C27 Eu1 59.30(17) . . ?
C28 C27 Eu1 173.2(2) . . ?
C33 C28 C29 119.3(3) . . ?
C33 C28 C27 119.7(3) . . ?
C29 C28 C27 121.0(3) . . ?
C30 C29 C28 119.7(3) . . ?
C30 C29 H29 120.2 . . ?
C28 C29 H29 120.2 . . ?
C29 C30 C31 121.0(3) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C32 C31 C30 118.9(3) . . ?
C32 C31 C34 118.1(3) . . ?
C30 C31 C34 123.0(3) . . ?
C31 C32 C33 120.1(3) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 H32 120.0 . . ?
C28 C33 C32 120.9(3) . . ?
C28 C33 H33 119.5 . . ?
C32 C33 H33 119.5 . . ?
N3 C34 C31 111.3(3) . . ?
N3 C34 H34A 109.4 . . ?
C31 C34 H34A 109.4 . . ?
N3 C34 H34B 109.4 . . ?
C31 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
N3 C35 C36 120.2(3) . . ?
N3 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C36 C37 120.7(3) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C38 C37 C36 117.1(3) . . ?
C38 C37 C37 121.9(4) . 3_777 ?
C36 C37 C37 121.0(3) . 3_777 ?
C39 C38 C37 120.6(3) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
N3 C39 C38 120.5(3) . . ?
N3 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
O4 C40 O3 121.5(4) . . ?
O4 C40 C41A 126.1(4) . . ?
O3 C40 C41A 112.3(4) . . ?
O4 C40 C41B 105.9(5) . . ?
O3 C40 C41B 132.5(5) . . ?
C41A C40 C41B 20.4(4) . . ?
O4 C40 Eu1 60.2(2) . . ?
O3 C40 Eu1 61.4(2) . . ?
C41A C40 Eu1 172.4(4) . . ?
C41B C40 Eu1 166.1(5) . . ?
C42A C41A C46A 120.0 . . ?
C42A C41A C40 116.9(4) . . ?
C46A C41A C40 123.0(4) . . ?
C43A C42A C41A 120.0 . . ?
C43A C42A H42A 120.0 . . ?
C41A C42A H42A 120.0 . . ?
C42A C43A C44A 120.0 . . ?
C42A C43A H43A 120.0 . . ?
C44A C43A H43A 120.0 . . ?
C43A C44A C45A 120.0 . . ?
C43A C44A H44A 120.0 . . ?
C45A C44A H44A 120.0 . . ?
C46A C45A C44A 120.0 . . ?
C46A C45A H45A 120.0 . . ?
C44A C45A H45A 120.0 . . ?
C45A C46A C41A 120.0 . . ?
C45A C46A H46A 120.0 . . ?
C41A C46A H46A 120.0 . . ?
C42B C41B C46B 120.0 . . ?
C42B C41B C40 127.8(6) . . ?
C46B C41B C40 112.2(6) . . ?
C43B C42B C41B 120.0 . . ?
C43B C42B H42B 120.0 . . ?
C41B C42B H42B 120.0 . . ?
C44B C43B C42B 120.0 . . ?
C44B C43B H43B 120.0 . . ?
C42B C43B H43B 120.0 . . ?
C43B C44B C45B 120.0 . . ?
C43B C44B H44B 120.0 . . ?
C45B C44B H44B 120.0 . . ?
C44B C45B C46B 120.0 . . ?
C44B C45B H45B 120.0 . . ?
C46B C45B H45B 120.0 . . ?
C45B C46B C41B 120.0 . . ?
C45B C46B H46B 120.0 . . ?
C41B C46B H46B 120.0 . . ?
O12 N4 O11 127.2(7) . . ?
O12 N4 O10 123.7(6) . . ?
O11 N4 O10 109.0(8) . . ?
O13 N5 O14 122.1(5) . . ?
O13 N5 O15 120.8(4) . . ?
O14 N5 O15 117.0(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.447(2) . ?
Eu1 O4 2.451(3) . ?
Eu1 O6 2.457(2) . ?
Eu1 O9 2.464(3) . ?
Eu1 O8 2.465(3) 3_566 ?
Eu1 O2 2.468(2) . ?
Eu1 O3 2.476(3) . ?
Eu1 O7 2.489(3) 3_566 ?
Eu1 O5 2.522(2) . ?
Eu1 C1 2.800(3) . ?
Eu1 C40 2.819(4) . ?
Eu1 C26 2.845(4) 3_566 ?
O1 C1 1.268(4) . ?
O2 C1 1.267(4) . ?
O3 C40 1.259(5) . ?
O4 C40 1.248(5) . ?
O5 C27 1.250(4) . ?
O6 C27 1.265(4) . ?
O7 C26 1.252(4) . ?
O7 Eu1 2.489(3) 3_566 ?
O8 C26 1.270(4) . ?
O8 Eu1 2.465(3) 3_566 ?
N1 C9 1.334(5) . ?
N1 C13 1.338(5) . ?
N1 C8 1.497(5) . ?
N2 C17 1.344(4) . ?
N2 C16 1.352(5) . ?
N2 C19 1.490(5) . ?
N3 C35 1.343(4) . ?
N3 C39 1.345(4) . ?
N3 C34 1.485(4) . ?
C1 C2 1.500(5) . ?
C2 C7 1.384(5) . ?
C2 C3 1.388(5) . ?
C3 C4 1.380(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.391(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(6) . ?
C5 C8 1.511(5) . ?
C6 C7 1.378(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.394(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.370(5) . ?
C11 C14 1.480(5) . ?
C12 C13 1.378(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C18 1.387(5) . ?
C14 C15 1.399(5) . ?
C15 C16 1.371(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.413(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.513(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C25 1.382(5) . ?
C20 C21 1.390(6) . ?
C21 C22 1.383(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.395(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.378(5) . ?
C23 C26 1.500(5) . ?
C24 C25 1.381(5) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 Eu1 2.845(4) 3_566 ?
C27 C28 1.506(4) . ?
C28 C33 1.380(5) . ?
C28 C29 1.388(5) . ?
C29 C30 1.386(5) . ?
C29 H29 0.9300 . ?
C30 C31 1.391(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.383(5) . ?
C31 C34 1.515(4) . ?
C32 C33 1.389(4) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C36 1.368(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.402(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.384(4) . ?
C37 C37 1.497(6) 3_777 ?
C38 C39 1.372(5) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 C41A 1.490(6) . ?
C40 C41B 1.572(9) . ?
C41A C42A 1.3900 . ?
C41A C46A 1.3900 . ?
C42A C43A 1.3900 . ?
C42A H42A 0.9300 . ?
C43A C44A 1.3900 . ?
C43A H43A 0.9300 . ?
C44A C45A 1.3900 . ?
C44A H44A 0.9300 . ?
C45A C46A 1.3900 . ?
C45A H45A 0.9300 . ?
C46A H46A 0.9300 . ?
C41B C42B 1.3900 . ?
C41B C46B 1.3900 . ?
C42B C43B 1.3900 . ?
C42B H42B 0.9300 . ?
C43B C44B 1.3900 . ?
C43B H43B 0.9300 . ?
C44B C45B 1.3900 . ?
C44B H44B 0.9300 . ?
C45B C46B 1.3900 . ?
C45B H45B 0.9300 . ?
C46B H46B 0.9300 . ?
N4 O12 1.122(8) . ?
N4 O11 1.264(8) . ?
N4 O10 1.306(8) . ?
N5 O13 1.214(5) . ?
N5 O14 1.228(6) . ?
N5 O15 1.233(5) . ?
O4WA O4WB 1.62(4) . ?
