#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/16/1501668.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_1501668
loop_
_publ_author_name
'Huang, Xiaoguang'
'Wang, Qin'
'Yan, Xuhuan'
'Xu, Jun'
'Liu, Weisheng'
'Wang, Qing'
'Tang, Yu'
_publ_section_title
;
 Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid
 Matrix for High Performance Luminescence Application
;
_journal_issue                   5
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              2332
_journal_paper_doi               10.1021/jp109644j
_journal_volume                  115
_journal_year                    2011
_chemical_formula_sum            'C42 H48 Cl Eu N2 O11'
_chemical_formula_weight         944.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.1150(10)
_cell_angle_beta                 106.6190(10)
_cell_angle_gamma                90.1280(10)
_cell_formula_units_Z            2
_cell_length_a                   12.1445(5)
_cell_length_b                   13.1978(6)
_cell_length_c                   14.8062(7)
_cell_measurement_reflns_used    7794
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.24
_cell_measurement_theta_min      2.63
_cell_volume                     2121.92(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11072
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    1.601
_exptl_absorpt_correction_T_max  0.7401
_exptl_absorpt_correction_T_min  0.5740
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.182
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       0.00042(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         7766
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.906
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0263
_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)+(0.0396P)²+2.7299P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                7044
_reflns_number_total             7766
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp109644j_si_002.cif
_cod_data_source_block           p1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2121.92(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1501668
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.333096(12) 0.510075(11) 0.487018(10) 0.02610(6) Uani 1 1 d .
C1 C 0.4970(2) 0.6464(2) 0.4047(2) 0.0289(6) Uani 1 1 d .
C2 C 0.5043(3) 0.7431(2) 0.3749(2) 0.0315(6) Uani 1 1 d .
C3 C 0.4369(3) 0.8255(3) 0.4044(3) 0.0425(8) Uani 1 1 d .
H3 H 0.3876 0.8182 0.4401 0.051 Uiso 1 1 calc R
C4 C 0.4415(4) 0.9188(3) 0.3815(3) 0.0549(10) Uani 1 1 d .
H4 H 0.3951 0.9729 0.4011 0.066 Uiso 1 1 calc R
C5 C 0.5151(4) 0.9301(3) 0.3299(3) 0.0560(10) Uani 1 1 d .
H5 H 0.5199 0.9933 0.3160 0.067 Uiso 1 1 calc R
C6 C 0.5823(3) 0.8494(3) 0.2982(3) 0.0487(9) Uani 1 1 d .
H6 H 0.6317 0.8582 0.2630 0.058 Uiso 1 1 calc R
C7 C 0.5764(3) 0.7548(2) 0.3188(2) 0.0343(7) Uani 1 1 d .
C8 C 0.6530(3) 0.6550(3) 0.1858(3) 0.0436(8) Uani 1 1 d .
H8A H 0.7250 0.6950 0.1951 0.052 Uiso 1 1 calc R
H8B H 0.5900 0.6813 0.1459 0.052 Uiso 1 1 calc R
C9 C 0.6553(3) 0.5364(3) 0.1329(2) 0.0394(7) Uani 1 1 d .
C10 C 0.7521(3) 0.4977(3) 0.1045(2) 0.0425(8) Uani 1 1 d .
C11 C 0.7472(3) 0.3880(3) 0.0497(3) 0.0475(8) Uani 1 1 d .
H11 H 0.8096 0.3630 0.0271 0.057 Uiso 1 1 calc R
C12 C 0.6530(3) 0.3139(3) 0.0271(3) 0.0468(8) Uani 1 1 d .
C13 C 0.5591(3) 0.3518(3) 0.0602(2) 0.0426(8) Uani 1 1 d .
C14 C 0.5575(3) 0.4635(3) 0.1092(2) 0.0410(7) Uani 1 1 d .
C15 C 0.4605(3) 0.2745(3) 0.0495(2) 0.0514(9) Uani 1 1 d .
H15A H 0.3874 0.2917 0.0131 0.062 Uiso 1 1 calc R
H15B H 0.4707 0.2002 0.0133 0.062 Uiso 1 1 calc R
C16 C 0.3933(3) 0.2184(3) 0.1651(2) 0.0383(7) Uani 1 1 d .
C17 C 0.3118(3) 0.1379(3) 0.0878(3) 0.0516(9) Uani 1 1 d .
H17 H 0.2987 0.1313 0.0209 0.062 Uiso 1 1 calc R
C18 C 0.2505(3) 0.0678(3) 0.1119(3) 0.0561(10) Uani 1 1 d .
H18 H 0.1962 0.0135 0.0603 0.067 Uiso 1 1 calc R
C19 C 0.2677(3) 0.0760(3) 0.2091(3) 0.0563(10) Uani 1 1 d .
H19 H 0.2278 0.0265 0.2236 0.068 Uiso 1 1 calc R
C20 C 0.3459(3) 0.1596(3) 0.2867(3) 0.0445(8) Uani 1 1 d .
H20 H 0.3564 0.1672 0.3535 0.053 Uiso 1 1 calc R
C21 C 0.4078(3) 0.2311(2) 0.2652(2) 0.0330(6) Uani 1 1 d .
C22 C 0.4919(3) 0.3212(2) 0.3500(2) 0.0305(6) Uani 1 1 d .
C23 C 0.4508(3) 0.5050(3) 0.1358(3) 0.0479(8) Uani 1 1 d .
H23A H 0.3836 0.4574 0.0883 0.072 Uiso 1 1 calc R
H23B H 0.4443 0.5767 0.1336 0.072 Uiso 1 1 calc R
H23C H 0.4566 0.5074 0.2026 0.072 Uiso 1 1 calc R
C24 C 0.8607(3) 0.5716(3) 0.1318(3) 0.0592(10) Uani 1 1 d .
H24A H 0.9174 0.5299 0.1066 0.089 Uiso 1 1 calc R
H24B H 0.8906 0.6057 0.2039 0.089 Uiso 1 1 calc R
H24C H 0.8433 0.6262 0.1021 0.089 Uiso 1 1 calc R
C25 C 0.6578(4) 0.1956(3) -0.0313(3) 0.0669(12) Uani 1 1 d .
H25A H 0.6499 0.1528 0.0079 0.100 Uiso 1 1 calc R
H25B H 0.7306 0.1871 -0.0450 0.100 Uiso 1 1 calc R
H25C H 0.5960 0.1718 -0.0939 0.100 Uiso 1 1 calc R
C26 C 0.2138(3) 0.4901(3) 0.2341(3) 0.0453(8) Uani 1 1 d .
H26 H 0.2611 0.5556 0.2614 0.054 Uiso 1 1 calc R
C27 C 0.1564(3) 0.4505(4) 0.1310(3) 0.0548(10) Uani 1 1 d .
H27 H 0.1667 0.4883 0.0908 0.066 Uiso 1 1 calc R
C28 C 0.0853(3) 0.3563(4) 0.0896(3) 0.0576(10) Uani 1 1 d .
H28 H 0.0471 0.3283 0.0205 0.069 Uiso 1 1 calc R
C29 C 0.0698(3) 0.3015(3) 0.1518(3) 0.0483(9) Uani 1 1 d .
C30 C 0.1327(3) 0.3458(3) 0.2552(2) 0.0367(7) Uani 1 1 d .
C31 C -0.0062(3) 0.2023(3) 0.1140(3) 0.0626(11) Uani 1 1 d .
H31 H -0.0484 0.1731 0.0459 0.075 Uiso 1 1 calc R
C32 C -0.0168(3) 0.1518(3) 0.1757(3) 0.0620(11) Uani 1 1 d .
H32 H -0.0671 0.0883 0.1495 0.074 Uiso 1 1 calc R
C33 C 0.0467(3) 0.1925(3) 0.2806(3) 0.0487(9) Uani 1 1 d .
C34 C 0.1213(3) 0.2904(3) 0.3208(3) 0.0388(7) Uani 1 1 d .
C35 C 0.0427(3) 0.1381(3) 0.3450(3) 0.0597(11) Uani 1 1 d .
H35 H -0.0056 0.0736 0.3212 0.072 Uiso 1 1 calc R
C36 C 0.1099(3) 0.1796(3) 0.4435(3) 0.0568(10) Uani 1 1 d .
H36 H 0.1089 0.1434 0.4872 0.068 Uiso 1 1 calc R
C37 C 0.1801(3) 0.2775(3) 0.4777(3) 0.0455(8) Uani 1 1 d .
H37 H 0.2251 0.3053 0.5451 0.055 Uiso 1 1 calc R
C38 C 0.2085(4) 0.6094(3) 0.6932(3) 0.0583(10) Uani 1 1 d .
H38A H 0.2748 0.6552 0.7443 0.087 Uiso 1 1 calc R
H38B H 0.1606 0.5844 0.7245 0.087 Uiso 1 1 calc R
H38C H 0.1652 0.6498 0.6548 0.087 Uiso 1 1 calc R
C39 C 0.0574(4) 0.5989(4) 0.4298(4) 0.0855(16) Uani 1 1 d .
H39A H 0.0380 0.5227 0.4128 0.128 Uiso 1 1 calc R
H39B H 0.0309 0.6167 0.3701 0.128 Uiso 1 1 calc R
H39C H 0.0208 0.6396 0.4784 0.128 Uiso 1 1 calc R
C40 C 0.1443(6) 0.7786(7) 0.2092(5) 0.127(3) Uani 1 1 d .
H40A H 0.2235 0.7788 0.2096 0.190 Uiso 1 1 calc R
H40B H 0.1121 0.7056 0.1924 0.190 Uiso 1 1 calc R
H40C H 0.1406 0.8227 0.2748 0.190 Uiso 1 1 calc R
C41 C 0.1689(6) 0.9142(5) 0.5101(5) 0.1025(19) Uani 1 1 d .
H41A H 0.1413 0.9677 0.5590 0.154 Uiso 1 1 calc R
H41B H 0.1060 0.8804 0.4494 0.154 Uiso 1 1 calc R
H41C H 0.2277 0.9487 0.4953 0.154 Uiso 1 1 calc R
C42 C 0.3566(6) 0.9270(5) 0.8251(5) 0.108(2) Uani 1 1 d .
H42A H 0.4282 0.9701 0.8413 0.161 Uiso 1 1 calc R
H42B H 0.3691 0.8517 0.8075 0.161 Uiso 1 1 calc R
H42C H 0.3285 0.9489 0.8826 0.161 Uiso 1 1 calc R
N1 N 0.2049(2) 0.4399(2) 0.29586(19) 0.0365(6) Uani 1 1 d .
N2 N 0.1861(2) 0.3329(2) 0.4194(2) 0.0369(6) Uani 1 1 d .
O1 O 0.58368(18) 0.59511(18) 0.41659(17) 0.0375(5) Uani 1 1 d .
O2 O 0.40373(17) 0.62430(17) 0.41877(16) 0.0343(5) Uani 1 1 d .
O3 O 0.6375(2) 0.67063(18) 0.28355(16) 0.0384(5) Uani 1 1 d .
O4 O 0.4633(2) 0.2888(2) 0.15120(17) 0.0500(6) Uani 1 1 d .
O5 O 0.59759(19) 0.31634(18) 0.36926(17) 0.0438(6) Uani 1 1 d .
O6 O 0.45174(19) 0.40158(16) 0.40195(15) 0.0355(5) Uani 1 1 d .
O7 O 0.17854(19) 0.62493(19) 0.47129(18) 0.0453(6) Uani 1 1 d .
O8 O 0.2456(2) 0.5184(2) 0.62761(18) 0.0473(6) Uani 1 1 d .
O9 O 0.0840(4) 0.8186(6) 0.1405(4) 0.1397(19) Uani 1 1 d .
H9 H 0.0267 0.8424 0.1554 0.210 Uiso 1 1 calc R
O10 O 0.2144(5) 0.8368(3) 0.5485(3) 0.1108(14) Uani 1 1 d .
H10 H 0.2222 0.8582 0.6091 0.166 Uiso 1 1 calc R
O11 O 0.2787(5) 0.9412(4) 0.7471(3) 0.1226(16) Uani 1 1 d .
H11A H 0.2482 0.9963 0.7677 0.184 Uiso 1 1 calc R
Cl1 Cl 0.14953(13) 0.12877(11) 0.82086(14) 0.0985(5) Uani 1 1 d .
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'
Cl Cl 0.1484 0.1585 '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
O6 Eu1 O1 73.90(7) . 2_666
O6 Eu1 O2 77.19(7) . .
O1 Eu1 O2 135.38(7) 2_666 .
O6 Eu1 O7 144.37(8) . .
O1 Eu1 O7 139.95(8) 2_666 .
O2 Eu1 O7 79.16(8) . .
O6 Eu1 O5 124.49(7) . 2_666
O1 Eu1 O5 93.58(8) 2_666 2_666
O2 Eu1 O5 75.77(8) . 2_666
O7 Eu1 O5 73.74(8) . 2_666
O6 Eu1 O8 138.03(8) . .
O1 Eu1 O8 65.39(8) 2_666 .
O2 Eu1 O8 141.01(8) . .
O7 Eu1 O8 74.62(8) . .
O5 Eu1 O8 69.52(8) 2_666 .
O6 Eu1 N1 76.40(8) . .
O1 Eu1 N1 127.44(8) 2_666 .
O2 Eu1 N1 75.82(8) . .
O7 Eu1 N1 72.21(8) . .
O5 Eu1 N1 138.89(8) 2_666 .
O8 Eu1 N1 121.17(8) . .
O6 Eu1 N2 87.21(8) . .
O1 Eu1 N2 74.13(8) 2_666 .
O2 Eu1 N2 137.42(8) . .
O7 Eu1 N2 92.56(8) . .
O5 Eu1 N2 141.97(8) 2_666 .
O8 Eu1 N2 72.67(8) . .
N1 Eu1 N2 61.98(8) . .
O6 Eu1 O6 75.12(7) . 2_666
O1 Eu1 O6 70.95(7) 2_666 2_666
O2 Eu1 O6 69.21(7) . 2_666
O7 Eu1 O6 120.00(7) . 2_666
O5 Eu1 O6 50.13(7) 2_666 2_666
O8 Eu1 O6 99.92(7) . 2_666
N1 Eu1 O6 138.74(7) . 2_666
N2 Eu1 O6 144.01(7) . 2_666
O6 Eu1 C22 100.35(8) . 2_666
O1 Eu1 C22 81.71(8) 2_666 2_666
O2 Eu1 C22 70.86(8) . 2_666
O7 Eu1 C22 96.58(8) . 2_666
O5 Eu1 C22 24.57(8) 2_666 2_666
O8 Eu1 C22 83.94(8) . 2_666
N1 Eu1 C22 146.35(8) . 2_666
N2 Eu1 C22 151.62(8) . 2_666
O6 Eu1 C22 25.55(7) 2_666 2_666
O6 Eu1 Eu1 40.33(5) . 2_666
O1 Eu1 Eu1 67.53(5) 2_666 2_666
O2 Eu1 Eu1 68.38(5) . 2_666
O7 Eu1 Eu1 144.56(6) . 2_666
O5 Eu1 Eu1 84.55(5) 2_666 2_666
O8 Eu1 Eu1 123.66(6) . 2_666
N1 Eu1 Eu1 111.38(6) . 2_666
N2 Eu1 Eu1 120.87(6) . 2_666
O6 Eu1 Eu1 34.79(4) 2_666 2_666
C22 Eu1 Eu1 60.13(6) 2_666 2_666
O1 C1 O2 124.6(3) . .
O1 C1 C2 118.7(3) . .
O2 C1 C2 116.6(3) . .
C3 C2 C7 118.4(3) . .
C3 C2 C1 118.4(3) . .
C7 C2 C1 123.3(3) . .
C2 C3 C4 121.4(3) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 119.3(3) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C4 C5 C6 121.0(3) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C7 120.1(3) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
O3 C7 C6 121.4(3) . .
O3 C7 C2 118.8(3) . .
C6 C7 C2 119.8(3) . .
O3 C8 C9 108.3(3) . .
O3 C8 H8A 110.0 . .
C9 C8 H8A 110.0 . .
O3 C8 H8B 110.0 . .
C9 C8 H8B 110.0 . .
H8A C8 H8B 108.4 . .
C10 C9 C14 119.9(3) . .
C10 C9 C8 120.8(3) . .
C14 C9 C8 119.3(3) . .
C11 C10 C9 118.6(3) . .
C11 C10 C24 119.5(3) . .
C9 C10 C24 121.9(3) . .
C10 C11 C12 122.8(3) . .
C10 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C11 C12 C13 118.5(3) . .
C11 C12 C25 118.4(3) . .
C13 C12 C25 123.1(4) . .
C12 C13 C14 120.2(3) . .
C12 C13 C15 121.3(3) . .
C14 C13 C15 118.5(3) . .
C13 C14 C9 119.8(3) . .
C13 C14 C23 119.9(3) . .
C9 C14 C23 120.3(3) . .
O4 C15 C13 105.6(3) . .
O4 C15 H15A 110.6 . .
C13 C15 H15A 110.6 . .
O4 C15 H15B 110.6 . .
C13 C15 H15B 110.6 . .
H15A C15 H15B 108.8 . .
O4 C16 C17 124.7(3) . .
O4 C16 C21 115.4(3) . .
C17 C16 C21 120.0(3) . .
C18 C17 C16 118.9(4) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
C19 C18 C17 121.7(3) . .
C19 C18 H18 119.2 . .
C17 C18 H18 119.2 . .
C18 C19 C20 119.2(3) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
C21 C20 C19 120.5(4) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C20 C21 C16 119.6(3) . .
C20 C21 C22 119.9(3) . .
C16 C21 C22 120.5(3) . .
O5 C22 O6 120.9(3) . .
O5 C22 C21 120.8(3) . .
O6 C22 C21 118.3(3) . .
O5 C22 Eu1 55.91(15) . 2_666
O6 C22 Eu1 64.97(15) . 2_666
C21 C22 Eu1 176.7(2) . 2_666
C14 C23 H23A 109.5 . .
C14 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C14 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C10 C24 H24A 109.5 . .
C10 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C10 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C12 C25 H25A 109.5 . .
C12 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C12 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N1 C26 C27 123.7(3) . .
N1 C26 H26 118.1 . .
C27 C26 H26 118.1 . .
C28 C27 C26 119.4(4) . .
C28 C27 H27 120.3 . .
C26 C27 H27 120.3 . .
C27 C28 C29 119.3(3) . .
C27 C28 H28 120.3 . .
C29 C28 H28 120.3 . .
C28 C29 C30 117.8(3) . .
C28 C29 C31 122.8(3) . .
C30 C29 C31 119.4(4) . .
N1 C30 C29 122.3(3) . .
N1 C30 C34 118.3(3) . .
C29 C30 C34 119.4(3) . .
C32 C31 C29 120.7(4) . .
C32 C31 H31 119.6 . .
C29 C31 H31 119.6 . .
C31 C32 C33 121.9(4) . .
C31 C32 H32 119.0 . .
C33 C32 H32 119.0 . .
C35 C33 C34 117.9(3) . .
C35 C33 C32 123.0(3) . .
C34 C33 C32 119.0(4) . .
N2 C34 C33 122.3(3) . .
N2 C34 C30 118.2(3) . .
C33 C34 C30 119.5(3) . .
C36 C35 C33 119.7(3) . .
C36 C35 H35 120.2 . .
C33 C35 H35 120.2 . .
C35 C36 C37 119.0(4) . .
C35 C36 H36 120.5 . .
C37 C36 H36 120.5 . .
N2 C37 C36 123.6(4) . .
N2 C37 H37 118.2 . .
C36 C37 H37 118.2 . .
O8 C38 H38A 109.5 . .
O8 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
O8 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O7 C39 H39A 109.5 . .
O7 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
O7 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
O9 C40 H40A 109.5 . .
O9 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
O9 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
O10 C41 H41A 109.5 . .
O10 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
O10 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O11 C42 H42A 109.5 . .
O11 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
O11 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C26 N1 C30 117.3(3) . .
C26 N1 Eu1 121.7(2) . .
C30 N1 Eu1 120.8(2) . .
C37 N2 C34 117.6(3) . .
C37 N2 Eu1 121.6(2) . .
C34 N2 Eu1 120.6(2) . .
C1 O1 Eu1 138.04(19) . 2_666
C1 O2 Eu1 137.89(19) . .
C7 O3 C8 115.9(2) . .
C16 O4 C15 118.6(3) . .
C22 O5 Eu1 99.51(18) . 2_666
C22 O6 Eu1 162.9(2) . .
C22 O6 Eu1 89.48(17) . 2_666
Eu1 O6 Eu1 104.88(7) . 2_666
C39 O7 Eu1 131.1(3) . .
C38 O8 Eu1 128.9(2) . .
C40 O9 H9 109.5 . .
C41 O10 H10 109.5 . .
C42 O11 H11A 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O6 2.349(2) .
Eu1 O1 2.351(2) 2_666
Eu1 O2 2.359(2) .
Eu1 O7 2.425(2) .
Eu1 O5 2.470(2) 2_666
Eu1 O8 2.566(2) .
Eu1 N1 2.639(3) .
Eu1 N2 2.647(3) .
Eu1 O6 2.665(2) 2_666
Eu1 C22 2.941(3) 2_666
Eu1 Eu1 3.9795(3) 2_666
C1 O1 1.255(4) .
C1 O2 1.260(3) .
C1 C2 1.496(4) .
C2 C3 1.387(4) .
C2 C7 1.409(4) .
C3 C4 1.389(5) .
C3 H3 0.9300 .
C4 C5 1.369(5) .
C4 H4 0.9300 .
C5 C6 1.379(5) .
C5 H5 0.9300 .
C6 C7 1.389(4) .
C6 H6 0.9300 .
C7 O3 1.372(4) .
C8 O3 1.458(4) .
C8 C9 1.494(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.399(5) .
C9 C14 1.409(5) .
C10 C11 1.386(5) .
C10 C24 1.507(5) .
C11 C12 1.388(5) .
C11 H11 0.9300 .
C12 C13 1.395(5) .
C12 C25 1.513(5) .
C13 C14 1.404(5) .
C13 C15 1.508(5) .
C14 C23 1.511(5) .
C15 O4 1.443(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 O4 1.363(4) .
C16 C17 1.389(5) .
C16 C21 1.391(5) .
C17 C18 1.384(6) .
C17 H17 0.9300 .
C18 C19 1.359(6) .
C18 H18 0.9300 .
C19 C20 1.392(5) .
C19 H19 0.9300 .
C20 C21 1.377(4) .
C20 H20 0.9300 .
C21 C22 1.506(4) .
C22 O5 1.240(4) .
C22 O6 1.269(4) .
C22 Eu1 2.941(3) 2_666
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C26 N1 1.327(4) .
C26 C27 1.390(5) .
C26 H26 0.9300 .
C27 C28 1.354(6) .
C27 H27 0.9300 .
C28 C29 1.402(6) .
C28 H28 0.9300 .
C29 C30 1.408(5) .
C29 C31 1.441(5) .
C30 N1 1.360(4) .
C30 C34 1.436(5) .
C31 C32 1.333(6) .
C31 H31 0.9300 .
C32 C33 1.426(6) .
C32 H32 0.9300 .
C33 C35 1.388(6) .
C33 C34 1.415(5) .
C34 N2 1.358(4) .
C35 C36 1.363(6) .
C35 H35 0.9300 .
C36 C37 1.397(5) .
C36 H36 0.9300 .
C37 N2 1.324(4) .
C37 H37 0.9300 .
C38 O8 1.428(4) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C39 O7 1.413(5) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 O9 1.340(8) .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C41 O10 1.376(7) .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 O11 1.338(7) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
O1 Eu1 2.351(2) 2_666
O5 Eu1 2.470(2) 2_666
O6 Eu1 2.665(2) 2_666
O9 H9 0.8200 .
O10 H10 0.8200 .
O11 H11A 0.8200 .
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
O1 C1 C2 C3 -151.5(3) . .
O2 C1 C2 C3 26.6(4) . .
O1 C1 C2 C7 28.2(4) . .
O2 C1 C2 C7 -153.7(3) . .
C7 C2 C3 C4 -1.4(5) . .
C1 C2 C3 C4 178.4(3) . .
C2 C3 C4 C5 -0.8(6) . .
C3 C4 C5 C6 1.6(6) . .
C4 C5 C6 C7 -0.2(6) . .
C5 C6 C7 O3 176.4(3) . .
C5 C6 C7 C2 -2.0(5) . .
C3 C2 C7 O3 -175.7(3) . .
C1 C2 C7 O3 4.6(4) . .
C3 C2 C7 C6 2.8(5) . .
C1 C2 C7 C6 -177.0(3) . .
O3 C8 C9 C10 -120.2(3) . .
O3 C8 C9 C14 61.5(4) . .
C14 C9 C10 C11 2.5(5) . .
C8 C9 C10 C11 -175.8(3) . .
C14 C9 C10 C24 -177.4(3) . .
C8 C9 C10 C24 4.3(5) . .
C9 C10 C11 C12 -4.0(5) . .
C24 C10 C11 C12 175.9(3) . .
C10 C11 C12 C13 0.7(5) . .
C10 C11 C12 C25 -178.7(4) . .
C11 C12 C13 C14 4.2(5) . .
C25 C12 C13 C14 -176.4(3) . .
C11 C12 C13 C15 -172.6(3) . .
C25 C12 C13 C15 6.8(5) . .
C12 C13 C14 C9 -5.7(5) . .
C15 C13 C14 C9 171.2(3) . .
C12 C13 C14 C23 174.1(3) . .
C15 C13 C14 C23 -9.0(5) . .
C10 C9 C14 C13 2.2(5) . .
C8 C9 C14 C13 -179.5(3) . .
C10 C9 C14 C23 -177.6(3) . .
C8 C9 C14 C23 0.7(5) . .
C12 C13 C15 O4 115.3(4) . .
C14 C13 C15 O4 -61.5(4) . .
O4 C16 C17 C18 176.5(3) . .
C21 C16 C17 C18 -3.5(5) . .
C16 C17 C18 C19 0.3(6) . .
C17 C18 C19 C20 2.4(6) . .
C18 C19 C20 C21 -2.0(6) . .
C19 C20 C21 C16 -1.1(5) . .
C19 C20 C21 C22 179.9(3) . .
O4 C16 C21 C20 -176.1(3) . .
C17 C16 C21 C20 3.9(5) . .
O4 C16 C21 C22 2.9(4) . .
C17 C16 C21 C22 -177.2(3) . .
C20 C21 C22 O5 105.1(4) . .
C16 C21 C22 O5 -73.9(4) . .
C20 C21 C22 O6 -74.0(4) . .
C16 C21 C22 O6 107.0(3) . .
C20 C21 C22 Eu1 103(4) . 2_666
C16 C21 C22 Eu1 -76(4) . 2_666
N1 C26 C27 C28 1.2(6) . .
C26 C27 C28 C29 0.9(6) . .
C27 C28 C29 C30 -2.0(6) . .
C27 C28 C29 C31 178.6(4) . .
C28 C29 C30 N1 1.3(5) . .
C31 C29 C30 N1 -179.3(3) . .
C28 C29 C30 C34 -178.4(3) . .
C31 C29 C30 C34 1.0(5) . .
C28 C29 C31 C32 178.8(4) . .
C30 C29 C31 C32 -0.5(6) . .
C29 C31 C32 C33 -0.7(7) . .
C31 C32 C33 C35 -175.9(4) . .
C31 C32 C33 C34 1.4(6) . .
C35 C33 C34 N2 -1.3(5) . .
C32 C33 C34 N2 -178.7(3) . .
C35 C33 C34 C30 176.5(3) . .
C32 C33 C34 C30 -0.9(5) . .
N1 C30 C34 N2 -2.1(4) . .
C29 C30 C34 N2 177.7(3) . .
N1 C30 C34 C33 180.0(3) . .
C29 C30 C34 C33 -0.3(5) . .
C34 C33 C35 C36 -0.2(6) . .
C32 C33 C35 C36 177.1(4) . .
C33 C35 C36 C37 1.1(6) . .
C35 C36 C37 N2 -0.4(6) . .
C27 C26 N1 C30 -1.9(5) . .
C27 C26 N1 Eu1 173.6(3) . .
C29 C30 N1 C26 0.6(5) . .
C34 C30 N1 C26 -179.7(3) . .
C29 C30 N1 Eu1 -175.0(2) . .
C34 C30 N1 Eu1 4.8(4) . .
O6 Eu1 N1 C26 -85.1(3) . .
O1 Eu1 N1 C26 -142.1(2) 2_666 .
O2 Eu1 N1 C26 -5.1(3) . .
O7 Eu1 N1 C26 77.9(3) . .
O5 Eu1 N1 C26 42.5(3) 2_666 .
O8 Eu1 N1 C26 136.6(3) . .
N2 Eu1 N1 C26 -179.2(3) . .
O6 Eu1 N1 C26 -37.6(3) 2_666 .
C22 Eu1 N1 C26 3.2(3) 2_666 .
Eu1 Eu1 N1 C26 -64.6(3) 2_666 .
O6 Eu1 N1 C30 90.3(2) . .
O1 Eu1 N1 C30 33.3(3) 2_666 .
O2 Eu1 N1 C30 170.3(2) . .
O7 Eu1 N1 C30 -106.8(2) . .
O5 Eu1 N1 C30 -142.2(2) 2_666 .
O8 Eu1 N1 C30 -48.1(3) . .
N2 Eu1 N1 C30 -3.8(2) . .
O6 Eu1 N1 C30 137.7(2) 2_666 .
C22 Eu1 N1 C30 178.6(2) 2_666 .
Eu1 Eu1 N1 C30 110.7(2) 2_666 .
C36 C37 N2 C34 -1.1(5) . .
C36 C37 N2 Eu1 -175.4(3) . .
C33 C34 N2 C37 1.9(5) . .
C30 C34 N2 C37 -175.9(3) . .
C33 C34 N2 Eu1 176.3(2) . .
C30 C34 N2 Eu1 -1.6(4) . .
O6 Eu1 N2 C37 100.8(3) . .
O1 Eu1 N2 C37 26.7(3) 2_666 .
O2 Eu1 N2 C37 168.4(2) . .
O7 Eu1 N2 C37 -114.9(3) . .
O5 Eu1 N2 C37 -48.3(3) 2_666 .
O8 Eu1 N2 C37 -41.9(3) . .
N1 Eu1 N2 C37 176.8(3) . .
O6 Eu1 N2 C37 41.1(3) 2_666 .
C22 Eu1 N2 C37 -6.0(4) 2_666 .
Eu1 Eu1 N2 C37 77.5(3) 2_666 .
O6 Eu1 N2 C34 -73.4(2) . .
O1 Eu1 N2 C34 -147.4(2) 2_666 .
O2 Eu1 N2 C34 -5.8(3) . .
O7 Eu1 N2 C34 71.0(2) . .
O5 Eu1 N2 C34 137.5(2) 2_666 .
O8 Eu1 N2 C34 144.0(2) . .
N1 Eu1 N2 C34 2.7(2) . .
O6 Eu1 N2 C34 -133.1(2) 2_666 .
C22 Eu1 N2 C34 179.9(2) 2_666 .
Eu1 Eu1 N2 C34 -96.7(2) 2_666 .
O2 C1 O1 Eu1 -27.1(5) . 2_666
C2 C1 O1 Eu1 150.8(2) . 2_666
O1 C1 O2 Eu1 9.4(5) . .
C2 C1 O2 Eu1 -168.54(19) . .
O6 Eu1 O2 C1 -38.7(3) . .
O1 Eu1 O2 C1 11.9(3) 2_666 .
O7 Eu1 O2 C1 168.2(3) . .
O5 Eu1 O2 C1 92.4(3) 2_666 .
O8 Eu1 O2 C1 119.9(3) . .
N1 Eu1 O2 C1 -117.7(3) . .
N2 Eu1 O2 C1 -110.0(3) . .
O6 Eu1 O2 C1 40.0(3) 2_666 .
C22 Eu1 O2 C1 67.2(3) 2_666 .
Eu1 Eu1 O2 C1 2.7(3) 2_666 .
C6 C7 O3 C8 -33.2(4) . .
C2 C7 O3 C8 145.2(3) . .
C9 C8 O3 C7 -147.7(3) . .
C17 C16 O4 C15 -5.3(5) . .
C21 C16 O4 C15 174.6(3) . .
C13 C15 O4 C16 -171.1(3) . .
O6 C22 O5 Eu1 -0.7(3) . 2_666
C21 C22 O5 Eu1 -179.8(2) . 2_666
O5 C22 O6 Eu1 -146.9(5) . .
C21 C22 O6 Eu1 32.2(8) . .
Eu1 C22 O6 Eu1 -147.6(7) 2_666 .
O5 C22 O6 Eu1 0.7(3) . 2_666
C21 C22 O6 Eu1 179.8(2) . 2_666
O1 Eu1 O6 C22 72.3(7) 2_666 .
O2 Eu1 O6 C22 -142.1(7) . .
O7 Eu1 O6 C22 -92.5(7) . .
O5 Eu1 O6 C22 155.4(7) 2_666 .
O8 Eu1 O6 C22 58.0(7) . .
N1 Eu1 O6 C22 -63.9(7) . .
N2 Eu1 O6 C22 -2.0(7) . .
O6 Eu1 O6 C22 146.3(7) 2_666 .
C22 Eu1 O6 C22 150.4(6) 2_666 .
Eu1 Eu1 O6 C22 146.3(7) 2_666 .
O1 Eu1 O6 Eu1 -74.05(8) 2_666 2_666
O2 Eu1 O6 Eu1 71.57(8) . 2_666
O7 Eu1 O6 Eu1 121.16(12) . 2_666
O5 Eu1 O6 Eu1 9.09(12) 2_666 2_666
O8 Eu1 O6 Eu1 -88.34(12) . 2_666
N1 Eu1 O6 Eu1 149.83(9) . 2_666
N2 Eu1 O6 Eu1 -148.34(9) . 2_666
O6 Eu1 O6 Eu1 0.0 2_666 2_666
C22 Eu1 O6 Eu1 4.10(9) 2_666 2_666
O6 Eu1 O7 C39 82.6(4) . .
O1 Eu1 O7 C39 -74.4(4) 2_666 .
O2 Eu1 O7 C39 131.7(4) . .
O5 Eu1 O7 C39 -150.1(4) 2_666 .
O8 Eu1 O7 C39 -77.4(4) . .
N1 Eu1 O7 C39 53.3(4) . .
N2 Eu1 O7 C39 -6.2(4) . .
O6 Eu1 O7 C39 -170.2(4) 2_666 .
C22 Eu1 O7 C39 -159.3(4) 2_666 .
Eu1 Eu1 O7 C39 155.3(4) 2_666 .
O6 Eu1 O8 C38 156.0(3) . .
O1 Eu1 O8 C38 140.9(3) 2_666 .
O2 Eu1 O8 C38 8.2(3) . .
O7 Eu1 O8 C38 -41.3(3) . .
O5 Eu1 O8 C38 36.7(3) 2_666 .
N1 Eu1 O8 C38 -98.8(3) . .
N2 Eu1 O8 C38 -139.0(3) . .
O6 Eu1 O8 C38 77.3(3) 2_666 .
C22 Eu1 O8 C38 57.2(3) 2_666 .
Eu1 Eu1 O8 C38 105.0(3) 2_666 .
