#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:35:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179755 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/51/7005105.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_7005105
loop_
_publ_author_name
'Amoroso, Angelo J.'
'Burrows, Miles W.'
'Haigh, Robert'
'Hatcher, Malcolm'
'Jones, Mark'
'Kynast, Ulrich'
'Malik, K. M. Abdul'
'Sendor, Dorota'
_publ_section_title
;
 The synthesis and characterisation of europium terpyridine-N-oxide
 complexes.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1630
_journal_page_last               1638
_journal_paper_doi               10.1039/b616758f
_journal_year                    2007
_chemical_formula_sum            'C51 H42 Cl3 Eu N12 O21'
_chemical_formula_weight         1417.28
_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                 106.47(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.196(3)
_cell_length_b                   14.781(3)
_cell_length_c                   24.469(5)
_cell_measurement_reflns_used    34621
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     5617(2)
_computing_cell_refinement
;

HKL Scalepack (Otwinowski & Minor, 1997)

;
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;

HKL Denzo & Scalepack (Otwinowski, 1997)

;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Kappa CCD'
_diffrn_measurement_method       CCD
_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  0.0818
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            41775
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.350
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;

'Sortav-Blessing, 1995'

;
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2856
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.034
_refine_diff_density_min         -2.567
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     796
_refine_ls_number_reflns         12558
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0738P)²+4.8684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1204
_refine_ls_wR_factor_ref         0.1457
_reflns_number_gt                9545
_reflns_number_total             12558
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616758f.txt
_cod_data_source_block           s923
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5617.3(19)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7005105
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 0.317517(13) 0.374352(14) 0.032233(8) 0.01697(8) Uani 1 1 d . . .
Cl1 Cl -0.09064(8) 0.53848(9) -0.21954(5) 0.0350(3) Uani 1 1 d . . .
Cl2 Cl 0.39368(10) 0.51225(11) -0.29949(6) 0.0484(4) Uani 1 1 d . . .
Cl3 Cl 0.20605(10) 0.81030(9) -0.01608(8) 0.0509(4) Uani 1 1 d . . .
O1 O 0.4178(2) 0.4180(2) 0.11756(12) 0.0209(6) Uani 1 1 d . . .
O2 O 0.2385(2) 0.41682(19) 0.10092(12) 0.0206(6) Uani 1 1 d . . .
O3 O 0.2471(2) 0.5146(2) 0.00813(13) 0.0230(7) Uani 1 1 d . . .
O4 O 0.4325(2) 0.2612(2) 0.04773(12) 0.0235(7) Uani 1 1 d . . .
O5 O 0.33820(19) 0.32869(19) -0.05531(12) 0.0189(6) Uani 1 1 d . . .
O6 O 0.4143(2) 0.4749(2) 0.00662(12) 0.0207(6) Uani 1 1 d . . .
O7 O 0.2797(2) 0.2395(2) 0.07287(13) 0.0231(7) Uani 1 1 d . . .
O8 O 0.17829(19) 0.3246(2) -0.02749(12) 0.0224(7) Uani 1 1 d . . .
O9 O 0.2940(2) 0.2234(3) -0.16071(15) 0.0358(8) Uani 1 1 d . . .
O10 O -0.0227(3) 0.5972(3) -0.1889(2) 0.0611(12) Uani 1 1 d . . .
O11 O -0.0957(4) 0.4646(3) -0.1835(2) 0.0781(17) Uani 1 1 d . . .
O12 O -0.0701(3) 0.5055(3) -0.26894(16) 0.0500(11) Uani 1 1 d . . .
O13 O -0.1694(3) 0.5882(4) -0.2356(2) 0.0774(17) Uani 1 1 d . . .
O14 O 0.3515(4) 0.5840(4) -0.2794(2) 0.0835(18) Uani 1 1 d . . .
O15 O 0.3327(3) 0.4466(4) -0.3269(2) 0.0760(16) Uani 1 1 d . . .
O16 O 0.4366(5) 0.5447(5) -0.3383(2) 0.105(2) Uani 1 1 d . . .
O17 O 0.4551(3) 0.4730(4) -0.25137(19) 0.0671(14) Uani 1 1 d . . .
O18 O 0.2113(6) 0.7382(5) 0.0154(4) 0.145(3) Uani 1 1 d . . .
O19 O 0.1606(6) 0.7646(9) -0.0742(4) 0.181(5) Uani 1 1 d . . .
O20 O 0.2818(4) 0.8362(5) -0.0251(3) 0.110(2) Uani 1 1 d . . .
O21 O 0.1470(5) 0.8743(4) -0.0122(4) 0.117(3) Uani 1 1 d . . .
N1 N 0.4171(2) 0.3730(2) 0.16500(15) 0.0204(8) Uani 1 1 d . . .
N2 N 0.2600(2) 0.4936(2) 0.12910(15) 0.0206(8) Uani 1 1 d . . .
N3 N 0.1687(2) 0.5429(2) 0.00600(16) 0.0217(8) Uani 1 1 d . . .
N4 N 0.4156(2) 0.1798(2) 0.02425(15) 0.0219(8) Uani 1 1 d . . .
N5 N 0.4140(2) 0.3215(2) -0.06505(14) 0.0177(7) Uani 1 1 d . . .
N6 N 0.3926(2) 0.5197(2) -0.04263(14) 0.0187(8) Uani 1 1 d . . .
N7 N 0.2043(3) 0.2242(2) 0.08231(16) 0.0229(8) Uani 1 1 d . . .
N8 N 0.1687(2) 0.2407(3) -0.04902(16) 0.0235(8) Uani 1 1 d . . .
N9 N 0.2424(3) 0.2920(3) -0.16884(16) 0.0300(9) Uani 1 1 d . . .
C1 C 0.4640(3) 0.2969(3) 0.17853(19) 0.0245(10) Uani 1 1 d . . .
H1 H 0.4953 0.2749 0.1548 0.029 Uiso 1 1 calc R . .
C2 C 0.4651(3) 0.2519(3) 0.2285(2) 0.0321(11) Uani 1 1 d . . .
H2 H 0.4967 0.1987 0.2381 0.039 Uiso 1 1 calc R . .
C3 C 0.4201(3) 0.2850(4) 0.2636(2) 0.0348(12) Uani 1 1 d . . .
H3 H 0.4217 0.2552 0.2974 0.042 Uiso 1 1 calc R . .
C4 C 0.3720(3) 0.3632(3) 0.2487(2) 0.0285(11) Uani 1 1 d . . .
H4 H 0.3411 0.3860 0.2724 0.034 Uiso 1 1 calc R . .
C5 C 0.3698(3) 0.4074(3) 0.19819(18) 0.0216(9) Uani 1 1 d . . .
C6 C 0.3238(3) 0.4927(3) 0.17956(18) 0.0217(9) Uani 1 1 d . . .
C7 C 0.3435(3) 0.5713(3) 0.2116(2) 0.0288(11) Uani 1 1 d . . .
H7 H 0.3870 0.5707 0.2459 0.035 Uiso 1 1 calc R . .
C8 C 0.2989(3) 0.6506(4) 0.1928(2) 0.0318(11) Uani 1 1 d . . .
H8 H 0.3105 0.7029 0.2147 0.038 Uiso 1 1 calc R . .
C9 C 0.2373(3) 0.6503(3) 0.1410(2) 0.0259(10) Uani 1 1 d . . .
H9 H 0.2079 0.7034 0.1272 0.031 Uiso 1 1 calc R . .
C10 C 0.2184(3) 0.5709(3) 0.10890(19) 0.0211(9) Uani 1 1 d . . .
C11 C 0.1493(3) 0.5698(3) 0.05424(19) 0.0211(9) Uani 1 1 d . . .
C12 C 0.0690(3) 0.6054(3) 0.0503(2) 0.0276(10) Uani 1 1 d . . .
H12 H 0.0557 0.6239 0.0831 0.033 Uiso 1 1 calc R . .
C13 C 0.0084(3) 0.6138(3) -0.0020(2) 0.0327(12) Uani 1 1 d . . .
H13 H -0.0459 0.6370 -0.0048 0.039 Uiso 1 1 calc R . .
C14 C 0.0302(3) 0.5869(3) -0.0504(2) 0.0332(12) Uani 1 1 d . . .
H14 H -0.0095 0.5925 -0.0861 0.040 Uiso 1 1 calc R . .
C15 C 0.1103(3) 0.5521(3) -0.0454(2) 0.0274(10) Uani 1 1 d . . .
H15 H 0.1247 0.5345 -0.0780 0.033 Uiso 1 1 calc R . .
C16 C 0.3952(3) 0.1110(3) 0.0550(2) 0.0253(10) Uani 1 1 d . . .
H16 H 0.3931 0.1208 0.0921 0.030 Uiso 1 1 calc R . .
C17 C 0.3778(3) 0.0264(3) 0.0304(2) 0.0321(12) Uani 1 1 d . . .
H17 H 0.3629 -0.0206 0.0511 0.039 Uiso 1 1 calc R . .
C18 C 0.3821(4) 0.0106(3) -0.0240(2) 0.0336(12) Uani 1 1 d . . .
H18 H 0.3696 -0.0463 -0.0405 0.040 Uiso 1 1 calc R . .
C19 C 0.4052(3) 0.0811(3) -0.0535(2) 0.0308(11) Uani 1 1 d . . .
H19 H 0.4100 0.0712 -0.0900 0.037 Uiso 1 1 calc R . .
C20 C 0.4213(3) 0.1659(3) -0.02954(19) 0.0230(10) Uani 1 1 d . . .
C21 C 0.4554(3) 0.2403(3) -0.05737(19) 0.0220(9) Uani 1 1 d . . .
C22 C 0.5278(3) 0.2272(3) -0.07532(19) 0.0259(10) Uani 1 1 d . . .
H22 H 0.5554 0.1713 -0.0705 0.031 Uiso 1 1 calc R . .
C23 C 0.5589(3) 0.2974(3) -0.1004(2) 0.0267(10) Uani 1 1 d . . .
H23 H 0.6059 0.2886 -0.1144 0.032 Uiso 1 1 calc R . .
C24 C 0.5202(3) 0.3811(3) -0.10466(19) 0.0232(10) Uani 1 1 d . . .
H24 H 0.5424 0.4293 -0.1204 0.028 Uiso 1 1 calc R . .
C25 C 0.4481(3) 0.3938(3) -0.08554(17) 0.0185(9) Uani 1 1 d . . .
C26 C 0.4060(3) 0.4819(3) -0.09011(18) 0.0189(9) Uani 1 1 d . . .
C27 C 0.3860(3) 0.5316(3) -0.14046(18) 0.0238(10) Uani 1 1 d . . .
H27 H 0.3956 0.5066 -0.1730 0.029 Uiso 1 1 calc R . .
C28 C 0.3521(3) 0.6172(3) -0.1425(2) 0.0287(11) Uani 1 1 d . . .
H28 H 0.3385 0.6503 -0.1763 0.034 Uiso 1 1 calc R . .
C29 C 0.3387(3) 0.6531(3) -0.0937(2) 0.0302(11) Uani 1 1 d . . .
H29 H 0.3154 0.7108 -0.0945 0.036 Uiso 1 1 calc R . .
C30 C 0.3596(3) 0.6043(3) -0.0439(2) 0.0246(10) Uani 1 1 d . . .
H30 H 0.3512 0.6292 -0.0111 0.029 Uiso 1 1 calc R . .
C31 C 0.1957(3) 0.2387(3) 0.1348(2) 0.0281(11) Uani 1 1 d . . .
H31 H 0.2425 0.2602 0.1635 0.034 Uiso 1 1 calc R . .
C32 C 0.1195(4) 0.2225(4) 0.1464(2) 0.0347(12) Uani 1 1 d . . .
H32 H 0.1143 0.2324 0.1828 0.042 Uiso 1 1 calc R . .
C33 C 0.0499(4) 0.1909(3) 0.1033(2) 0.0352(12) Uani 1 1 d . . .
H33 H -0.0028 0.1805 0.1104 0.042 Uiso 1 1 calc R . .
C34 C 0.0596(3) 0.1753(3) 0.0503(2) 0.0332(12) Uani 1 1 d . . .
H34 H 0.0138 0.1525 0.0215 0.040 Uiso 1 1 calc R . .
C35 C 0.1374(3) 0.1934(3) 0.0394(2) 0.0258(10) Uani 1 1 d . . .
C36 C 0.1523(3) 0.1716(3) -0.0161(2) 0.0268(10) Uani 1 1 d . . .
C37 C 0.1416(4) 0.0845(3) -0.0372(2) 0.0350(12) Uani 1 1 d . . .
H37 H 0.1304 0.0376 -0.0150 0.042 Uiso 1 1 calc R . .
C38 C 0.1475(4) 0.0671(4) -0.0913(2) 0.0393(13) Uani 1 1 d . . .
H38 H 0.1415 0.0083 -0.1054 0.047 Uiso 1 1 calc R . .
C39 C 0.1623(3) 0.1378(3) -0.1245(2) 0.0348(12) Uani 1 1 d . . .
H39 H 0.1650 0.1266 -0.1613 0.042 Uiso 1 1 calc R . .
C40 C 0.1731(3) 0.2245(3) -0.10321(19) 0.0262(10) Uani 1 1 d . . .
C41 C 0.1821(3) 0.3017(3) -0.13938(19) 0.0273(10) Uani 1 1 d . . .
C42 C 0.2485(4) 0.3579(4) -0.2064(2) 0.0366(13) Uani 1 1 d . . .
H42 H 0.2883 0.3513 -0.2271 0.044 Uiso 1 1 calc R . .
C43 C 0.1980(4) 0.4331(4) -0.2146(2) 0.0429(14) Uani 1 1 d . . .
H43 H 0.2047 0.4773 -0.2401 0.051 Uiso 1 1 calc R . .
C44 C 0.1375(4) 0.4447(4) -0.1859(2) 0.0410(13) Uani 1 1 d . . .
H44 H 0.1026 0.4958 -0.1914 0.049 Uiso 1 1 calc R . .
C45 C 0.1303(3) 0.3769(4) -0.1481(2) 0.0335(12) Uani 1 1 d . . .
H45 H 0.0895 0.3827 -0.1282 0.040 Uiso 1 1 calc R . .
N01 N 0.1846(6) 0.6955(7) -0.2437(3) 0.112(3) Uani 1 1 d . . .
N02 N 0.4114(4) 0.6433(4) 0.3542(2) 0.0603(16) Uani 1 1 d . . .
N03 N -0.0339(4) 0.2016(4) -0.1074(3) 0.0657(17) Uani 1 1 d . . .
C01 C 0.1223(5) 0.7277(6) -0.2445(3) 0.072(2) Uani 1 1 d . . .
C02 C 0.0406(6) 0.7694(6) -0.2475(5) 0.103(4) Uani 1 1 d . . .
H02A H 0.0481 0.8337 -0.2430 0.155 Uiso 1 1 calc R . .
H02B H 0.0189 0.7458 -0.2177 0.155 Uiso 1 1 calc R . .
H02C H 0.0004 0.7566 -0.2838 0.155 Uiso 1 1 calc R . .
C03 C 0.3429(5) 0.6199(4) 0.3449(2) 0.0456(15) Uani 1 1 d . . .
C04 C 0.2554(5) 0.5893(7) 0.3332(3) 0.073(2) Uani 1 1 d . . .
H04A H 0.2290 0.5886 0.2928 0.110 Uiso 1 1 calc R . .
H04B H 0.2241 0.6294 0.3509 0.110 Uiso 1 1 calc R . .
H04C H 0.2547 0.5294 0.3482 0.110 Uiso 1 1 calc R . .
C05 C -0.0840(5) 0.1449(5) -0.1169(3) 0.060(2) Uani 1 1 d . . .
C06 C -0.1490(6) 0.0744(6) -0.1286(4) 0.093(3) Uani 1 1 d . . .
H06A H -0.1231 0.0177 -0.1335 0.140 Uiso 1 1 calc R . .
H06B H -0.1934 0.0890 -0.1627 0.140 Uiso 1 1 calc R . .
H06C H -0.1735 0.0699 -0.0972 0.140 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'
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'
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 O3 98.33(11) . . ?
O1 Eu1 O5 130.30(10) . . ?
O3 Eu1 O5 101.97(10) . . ?
O1 Eu1 O6 73.71(10) . . ?
O3 Eu1 O6 72.06(11) . . ?
O5 Eu1 O6 70.38(10) . . ?
O1 Eu1 O7 93.08(10) . . ?
O3 Eu1 O7 132.53(10) . . ?
O5 Eu1 O7 105.01(10) . . ?
O6 Eu1 O7 154.44(11) . . ?
O1 Eu1 O8 155.61(10) . . ?
O3 Eu1 O8 79.34(11) . . ?
O5 Eu1 O8 73.35(10) . . ?
O6 Eu1 O8 127.02(10) . . ?
O7 Eu1 O8 72.13(10) . . ?
O1 Eu1 O4 75.27(10) . . ?
O3 Eu1 O4 158.53(11) . . ?
O5 Eu1 O4 69.39(10) . . ?
O6 Eu1 O4 86.47(10) . . ?
O7 Eu1 O4 68.81(11) . . ?
O8 Eu1 O4 114.93(10) . . ?
O1 Eu1 O2 71.66(10) . . ?
O3 Eu1 O2 68.84(10) . . ?
O5 Eu1 O2 157.96(10) . . ?
O6 Eu1 O2 122.07(10) . . ?
O7 Eu1 O2 71.58(10) . . ?
O8 Eu1 O2 85.08(10) . . ?
O4 Eu1 O2 125.93(10) . . ?
O1 Eu1 N1 21.90(10) . . ?
O3 Eu1 N1 109.21(10) . . ?
O5 Eu1 N1 139.63(10) . . ?
O6 Eu1 N1 95.28(10) . . ?
O7 Eu1 N1 71.66(10) . . ?
O8 Eu1 N1 136.54(10) . . ?
O4 Eu1 N1 72.29(10) . . ?
O2 Eu1 N1 61.17(10) . . ?
O11 Cl1 O13 111.3(4) . . ?
O11 Cl1 O12 109.3(3) . . ?
O13 Cl1 O12 110.3(3) . . ?
O11 Cl1 O10 108.2(3) . . ?
O13 Cl1 O10 109.0(3) . . ?
O12 Cl1 O10 108.7(3) . . ?
O16 Cl2 O15 109.0(3) . . ?
O16 Cl2 O14 110.9(4) . . ?
O15 Cl2 O14 109.7(4) . . ?
O16 Cl2 O17 109.3(4) . . ?
O15 Cl2 O17 110.0(3) . . ?
O14 Cl2 O17 107.9(3) . . ?
O18 Cl3 O20 114.5(5) . . ?
O18 Cl3 O21 117.0(6) . . ?
O20 Cl3 O21 119.8(5) . . ?
O18 Cl3 O19 96.9(7) . . ?
O20 Cl3 O19 100.8(5) . . ?
O21 Cl3 O19 101.8(5) . . ?
N1 O1 Eu1 117.4(2) . . ?
N2 O2 Eu1 117.5(2) . . ?
N3 O3 Eu1 132.7(2) . . ?
N4 O4 Eu1 119.8(2) . . ?
N5 O5 Eu1 124.5(2) . . ?
N6 O6 Eu1 121.8(2) . . ?
N7 O7 Eu1 125.0(2) . . ?
N8 O8 Eu1 120.1(2) . . ?
O1 N1 C1 119.0(4) . . ?
O1 N1 C5 118.4(4) . . ?
C1 N1 C5 122.7(4) . . ?
O1 N1 Eu1 40.67(17) . . ?
C1 N1 Eu1 110.1(3) . . ?
C5 N1 Eu1 113.4(3) . . ?
O2 N2 C10 120.4(4) . . ?
O2 N2 C6 118.9(3) . . ?
C10 N2 C6 120.7(4) . . ?
O3 N3 C15 118.7(4) . . ?
O3 N3 C11 120.8(4) . . ?
C15 N3 C11 120.3(4) . . ?
O4 N4 C16 119.4(4) . . ?
O4 N4 C20 119.5(4) . . ?
C16 N4 C20 121.1(4) . . ?
O5 N5 C21 119.6(3) . . ?
O5 N5 C25 119.9(3) . . ?
C21 N5 C25 120.5(4) . . ?
O6 N6 C30 118.7(4) . . ?
O6 N6 C26 120.3(4) . . ?
C30 N6 C26 121.0(4) . . ?
O7 N7 C31 119.2(4) . . ?
O7 N7 C35 119.7(4) . . ?
C31 N7 C35 121.0(4) . . ?
O8 N8 C40 120.7(4) . . ?
O8 N8 C36 118.5(4) . . ?
C40 N8 C36 120.8(4) . . ?
O9 N9 C42 119.8(4) . . ?
O9 N9 C41 121.7(4) . . ?
C42 N9 C41 118.5(5) . . ?
N1 C1 C2 118.9(4) . . ?
C3 C2 C1 120.4(5) . . ?
C2 C3 C4 119.6(5) . . ?
C3 C4 C5 119.9(5) . . ?
N1 C5 C4 118.5(4) . . ?
N1 C5 C6 117.2(4) . . ?
C4 C5 C6 124.2(4) . . ?
N2 C6 C7 119.7(4) . . ?
N2 C6 C5 118.4(4) . . ?
C7 C6 C5 121.8(4) . . ?
C8 C7 C6 120.4(5) . . ?
C9 C8 C7 118.5(4) . . ?
C8 C9 C10 120.5(5) . . ?
N2 C10 C9 119.9(4) . . ?
N2 C10 C11 119.6(4) . . ?
C9 C10 C11 120.4(4) . . ?
N3 C11 C12 119.6(4) . . ?
N3 C11 C10 119.0(4) . . ?
C12 C11 C10 121.0(4) . . ?
C13 C12 C11 120.5(5) . . ?
C12 C13 C14 118.7(5) . . ?
C15 C14 C13 119.7(5) . . ?
N3 C15 C14 121.3(5) . . ?
N4 C16 C17 119.2(4) . . ?
C18 C17 C16 121.0(4) . . ?
C17 C18 C19 118.4(5) . . ?
C20 C19 C18 120.8(5) . . ?
N4 C20 C19 119.4(4) . . ?
N4 C20 C21 118.0(4) . . ?
C19 C20 C21 122.1(4) . . ?
N5 C21 C22 120.7(4) . . ?
N5 C21 C20 119.0(4) . . ?
C22 C21 C20 120.3(4) . . ?
C23 C22 C21 119.3(4) . . ?
C22 C23 C24 119.8(4) . . ?
C23 C24 C25 120.2(4) . . ?
N5 C25 C24 119.1(4) . . ?
N5 C25 C26 120.0(4) . . ?
C24 C25 C26 120.9(4) . . ?
N6 C26 C27 119.1(4) . . ?
N6 C26 C25 119.0(4) . . ?
C27 C26 C25 121.7(4) . . ?
C28 C27 C26 120.6(4) . . ?
C27 C28 C29 118.8(4) . . ?
C30 C29 C28 120.4(5) . . ?
N6 C30 C29 120.2(4) . . ?
N7 C31 C32 121.0(5) . . ?
C31 C32 C33 119.2(5) . . ?
C34 C33 C32 119.3(5) . . ?
C33 C34 C35 120.3(5) . . ?
N7 C35 C34 119.1(4) . . ?
N7 C35 C36 118.8(4) . . ?
C34 C35 C36 121.8(4) . . ?
N8 C36 C37 119.8(4) . . ?
N8 C36 C35 119.1(4) . . ?
C37 C36 C35 120.8(4) . . ?
C38 C37 C36 120.0(5) . . ?
C37 C38 C39 119.5(5) . . ?
C40 C39 C38 120.3(5) . . ?
N8 C40 C39 119.6(5) . . ?
N8 C40 C41 119.2(4) . . ?
C39 C40 C41 121.1(4) . . ?
C45 C41 N9 119.7(5) . . ?
C45 C41 C40 124.0(5) . . ?
N9 C41 C40 116.1(4) . . ?
C43 C42 N9 121.9(5) . . ?
C42 C43 C44 121.0(5) . . ?
C43 C44 C45 117.3(5) . . ?
C41 C45 C44 121.6(5) . . ?
N01 C01 C02 178.2(10) . . ?
N02 C03 C04 179.5(9) . . ?
N03 C05 C06 178.6(9) . . ?
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 2.343(3) . ?
Eu1 O3 2.358(3) . ?
Eu1 O5 2.359(3) . ?
Eu1 O6 2.370(3) . ?
Eu1 O7 2.384(3) . ?
Eu1 O8 2.427(3) . ?
Eu1 O4 2.452(3) . ?
Eu1 O2 2.466(3) . ?
Eu1 N1 3.191(4) . ?
Cl1 O11 1.420(4) . ?
Cl1 O13 1.427(5) . ?
Cl1 O12 1.427(4) . ?
Cl1 O10 1.435(4) . ?
Cl2 O16 1.409(6) . ?
Cl2 O15 1.411(5) . ?
Cl2 O14 1.422(5) . ?
Cl2 O17 1.431(5) . ?
Cl3 O18 1.304(6) . ?
Cl3 O20 1.361(6) . ?
Cl3 O21 1.367(6) . ?
Cl3 O19 1.559(8) . ?
O1 N1 1.341(4) . ?
O2 N2 1.323(5) . ?
O3 N3 1.324(5) . ?
O4 N4 1.328(5) . ?
O5 N5 1.320(5) . ?
O6 N6 1.332(4) . ?
O7 N7 1.325(5) . ?
O8 N8 1.340(5) . ?
O9 N9 1.293(5) . ?
N1 C1 1.345(6) . ?
N1 C5 1.363(6) . ?
N2 C10 1.347(6) . ?
N2 C6 1.367(6) . ?
N3 C15 1.349(6) . ?
N3 C11 1.364(6) . ?
N4 C16 1.360(6) . ?
N4 C20 1.361(6) . ?
N5 C21 1.360(5) . ?
N5 C25 1.362(5) . ?
N6 C30 1.357(6) . ?
N6 C26 1.361(6) . ?
N7 C31 1.347(6) . ?
N7 C35 1.355(6) . ?
N8 C40 1.368(6) . ?
N8 C36 1.373(6) . ?
N9 C42 1.362(7) . ?
N9 C41 1.376(6) . ?
C1 C2 1.388(7) . ?
C2 C3 1.366(7) . ?
C3 C4 1.383(7) . ?
C4 C5 1.390(6) . ?
C5 C6 1.470(6) . ?
C6 C7 1.387(6) . ?
C7 C8 1.386(7) . ?
C8 C9 1.372(7) . ?
C9 C10 1.398(6) . ?
C10 C11 1.481(6) . ?
C11 C12 1.381(6) . ?
C12 C13 1.380(7) . ?
C13 C14 1.385(8) . ?
C14 C15 1.368(7) . ?
C16 C17 1.382(7) . ?
C17 C18 1.372(7) . ?
C18 C19 1.378(7) . ?
C19 C20 1.378(7) . ?
C20 C21 1.480(6) . ?
C21 C22 1.378(7) . ?
C22 C23 1.372(7) . ?
C23 C24 1.377(6) . ?
C24 C25 1.388(6) . ?
C25 C26 1.460(6) . ?
C26 C27 1.391(6) . ?
C27 C28 1.374(7) . ?
C28 C29 1.381(7) . ?
C29 C30 1.372(7) . ?
C31 C32 1.364(7) . ?
C32 C33 1.389(8) . ?
C33 C34 1.370(7) . ?
C34 C35 1.387(7) . ?
C35 C36 1.480(7) . ?
C36 C37 1.380(7) . ?
C37 C38 1.377(8) . ?
C38 C39 1.386(8) . ?
C39 C40 1.376(7) . ?
C40 C41 1.476(7) . ?
C41 C45 1.373(7) . ?
C42 C43 1.361(8) . ?
C43 C44 1.369(8) . ?
C44 C45 1.390(8) . ?
N01 C01 1.110(10) . ?
N02 C03 1.121(8) . ?
N03 C05 1.144(9) . ?
C01 C02 1.444(11) . ?
C03 C04 1.437(10) . ?
C05 C06 1.450(11) . ?
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
_geom_torsion_publ_flag
O3 Eu1 O1 N1 121.8(3) . . . . ?
O5 Eu1 O1 N1 -124.6(3) . . . . ?
O6 Eu1 O1 N1 -169.7(3) . . . . ?
O7 Eu1 O1 N1 -12.0(3) . . . . ?
O8 Eu1 O1 N1 39.3(4) . . . . ?
O4 Eu1 O1 N1 -79.1(3) . . . . ?
O2 Eu1 O1 N1 57.5(3) . . . . ?
O1 Eu1 O2 N2 47.5(3) . . . . ?
O3 Eu1 O2 N2 -59.5(3) . . . . ?
O5 Eu1 O2 N2 -128.2(3) . . . . ?
O6 Eu1 O2 N2 -8.7(3) . . . . ?
O7 Eu1 O2 N2 147.2(3) . . . . ?
O8 Eu1 O2 N2 -140.0(3) . . . . ?
O4 Eu1 O2 N2 102.6(3) . . . . ?
N1 Eu1 O2 N2 68.5(3) . . . . ?
O1 Eu1 O3 N3 -111.3(3) . . . . ?
O5 Eu1 O3 N3 114.3(3) . . . . ?
O6 Eu1 O3 N3 178.9(4) . . . . ?
O7 Eu1 O3 N3 -9.3(4) . . . . ?
O8 Eu1 O3 N3 44.0(3) . . . . ?
O4 Eu1 O3 N3 177.9(3) . . . . ?
O2 Eu1 O3 N3 -44.8(3) . . . . ?
N1 Eu1 O3 N3 -91.7(3) . . . . ?
O1 Eu1 O4 N4 156.1(3) . . . . ?
O3 Eu1 O4 N4 -128.9(3) . . . . ?
O5 Eu1 O4 N4 -59.5(3) . . . . ?
O6 Eu1 O4 N4 -129.8(3) . . . . ?
O7 Eu1 O4 N4 56.8(3) . . . . ?
O8 Eu1 O4 N4 -0.3(3) . . . . ?
O2 Eu1 O4 N4 102.4(3) . . . . ?
N1 Eu1 O4 N4 133.5(3) . . . . ?
O1 Eu1 O5 N5 1.2(3) . . . . ?
O3 Eu1 O5 N5 113.2(3) . . . . ?
O6 Eu1 O5 N5 47.4(3) . . . . ?
O7 Eu1 O5 N5 -106.3(3) . . . . ?
O8 Eu1 O5 N5 -172.0(3) . . . . ?
O4 Eu1 O5 N5 -46.3(3) . . . . ?
O2 Eu1 O5 N5 175.8(3) . . . . ?
N1 Eu1 O5 N5 -27.1(3) . . . . ?
O1 Eu1 O6 N6 -157.8(3) . . . . ?
O3 Eu1 O6 N6 -53.1(3) . . . . ?
O5 Eu1 O6 N6 57.2(3) . . . . ?
O7 Eu1 O6 N6 141.0(3) . . . . ?
O8 Eu1 O6 N6 7.7(3) . . . . ?
O4 Eu1 O6 N6 126.6(3) . . . . ?
O2 Eu1 O6 N6 -102.5(3) . . . . ?
N1 Eu1 O6 N6 -161.6(3) . . . . ?
O1 Eu1 O7 N7 111.6(3) . . . . ?
O3 Eu1 O7 N7 7.4(4) . . . . ?
O5 Eu1 O7 N7 -115.2(3) . . . . ?
O6 Eu1 O7 N7 169.0(3) . . . . ?
O8 Eu1 O7 N7 -48.6(3) . . . . ?
O4 Eu1 O7 N7 -175.5(3) . . . . ?
O2 Eu1 O7 N7 42.1(3) . . . . ?
N1 Eu1 O7 N7 106.9(3) . . . . ?
O1 Eu1 O8 N8 -110.0(3) . . . . ?
O3 Eu1 O8 N8 163.3(3) . . . . ?
O5 Eu1 O8 N8 57.3(3) . . . . ?
O6 Eu1 O8 N8 105.6(3) . . . . ?
O7 Eu1 O8 N8 -55.1(3) . . . . ?
O4 Eu1 O8 N8 0.2(3) . . . . ?
O2 Eu1 O8 N8 -127.3(3) . . . . ?
N1 Eu1 O8 N8 -89.9(3) . . . . ?
Eu1 O1 N1 C1 87.6(4) . . . . ?
Eu1 O1 N1 C5 -93.7(4) . . . . ?
O3 Eu1 N1 O1 -62.9(3) . . . . ?
O5 Eu1 N1 O1 75.6(3) . . . . ?
O6 Eu1 N1 O1 9.9(3) . . . . ?
O7 Eu1 N1 O1 167.4(3) . . . . ?
O8 Eu1 N1 O1 -157.7(3) . . . . ?
O4 Eu1 N1 O1 94.5(3) . . . . ?
O2 Eu1 N1 O1 -114.0(3) . . . . ?
O1 Eu1 N1 C1 -111.5(4) . . . . ?
O3 Eu1 N1 C1 -174.4(3) . . . . ?
O5 Eu1 N1 C1 -35.9(4) . . . . ?
O6 Eu1 N1 C1 -101.5(3) . . . . ?
O7 Eu1 N1 C1 55.9(3) . . . . ?
O8 Eu1 N1 C1 90.9(3) . . . . ?
O4 Eu1 N1 C1 -17.0(3) . . . . ?
O2 Eu1 N1 C1 134.6(3) . . . . ?
O1 Eu1 N1 C5 106.9(4) . . . . ?
O3 Eu1 N1 C5 44.0(3) . . . . ?
O5 Eu1 N1 C5 -177.5(3) . . . . ?
O6 Eu1 N1 C5 116.8(3) . . . . ?
O7 Eu1 N1 C5 -85.7(3) . . . . ?
O8 Eu1 N1 C5 -50.8(3) . . . . ?
O4 Eu1 N1 C5 -158.6(3) . . . . ?
O2 Eu1 N1 C5 -7.1(3) . . . . ?
Eu1 O2 N2 C10 92.6(4) . . . . ?
Eu1 O2 N2 C6 -88.9(4) . . . . ?
Eu1 O3 N3 C15 -104.1(4) . . . . ?
Eu1 O3 N3 C11 81.4(5) . . . . ?
Eu1 O4 N4 C16 -94.5(4) . . . . ?
Eu1 O4 N4 C20 87.3(4) . . . . ?
Eu1 O5 N5 C21 93.1(4) . . . . ?
Eu1 O5 N5 C25 -90.4(4) . . . . ?
Eu1 O6 N6 C30 93.5(4) . . . . ?
Eu1 O6 N6 C26 -88.5(4) . . . . ?
Eu1 O7 N7 C31 -97.4(4) . . . . ?
Eu1 O7 N7 C35 83.2(4) . . . . ?
Eu1 O8 N8 C40 -96.6(4) . . . . ?
Eu1 O8 N8 C36 85.1(4) . . . . ?
O1 N1 C1 C2 178.2(4) . . . . ?
C5 N1 C1 C2 -0.5(7) . . . . ?
Eu1 N1 C1 C2 -137.9(4) . . . . ?
N1 C1 C2 C3 -0.9(7) . . . . ?
C1 C2 C3 C4 1.1(8) . . . . ?
C2 C3 C4 C5 -0.1(8) . . . . ?
O1 N1 C5 C4 -177.2(4) . . . . ?
C1 N1 C5 C4 1.5(7) . . . . ?
Eu1 N1 C5 C4 137.7(4) . . . . ?
O1 N1 C5 C6 -0.7(6) . . . . ?
C1 N1 C5 C6 177.9(4) . . . . ?
Eu1 N1 C5 C6 -45.9(4) . . . . ?
C3 C4 C5 N1 -1.2(7) . . . . ?
C3 C4 C5 C6 -177.4(5) . . . . ?
O2 N2 C6 C7 -175.9(4) . . . . ?
C10 N2 C6 C7 2.6(6) . . . . ?
O2 N2 C6 C5 4.4(6) . . . . ?
C10 N2 C6 C5 -177.1(4) . . . . ?
N1 C5 C6 N2 63.9(6) . . . . ?
C4 C5 C6 N2 -119.9(5) . . . . ?
N1 C5 C6 C7 -115.9(5) . . . . ?
C4 C5 C6 C7 60.4(7) . . . . ?
N2 C6 C7 C8 0.2(7) . . . . ?
C5 C6 C7 C8 179.9(4) . . . . ?
C6 C7 C8 C9 -2.4(7) . . . . ?
C7 C8 C9 C10 1.9(7) . . . . ?
O2 N2 C10 C9 175.3(4) . . . . ?
C6 N2 C10 C9 -3.2(6) . . . . ?
O2 N2 C10 C11 -1.2(6) . . . . ?
C6 N2 C10 C11 -179.7(4) . . . . ?
C8 C9 C10 N2 0.9(7) . . . . ?
C8 C9 C10 C11 177.4(4) . . . . ?
O3 N3 C11 C12 175.2(4) . . . . ?
C15 N3 C11 C12 0.8(6) . . . . ?
O3 N3 C11 C10 2.8(6) . . . . ?
C15 N3 C11 C10 -171.5(4) . . . . ?
N2 C10 C11 N3 -59.8(6) . . . . ?
C9 C10 C11 N3 123.7(5) . . . . ?
N2 C10 C11 C12 127.9(5) . . . . ?
C9 C10 C11 C12 -48.6(6) . . . . ?
N3 C11 C12 C13 0.1(7) . . . . ?
C10 C11 C12 C13 172.4(4) . . . . ?
C11 C12 C13 C14 -0.8(7) . . . . ?
C12 C13 C14 C15 0.6(7) . . . . ?
O3 N3 C15 C14 -175.5(4) . . . . ?
C11 N3 C15 C14 -1.1(7) . . . . ?
C13 C14 C15 N3 0.3(7) . . . . ?
O4 N4 C16 C17 -180.0(4) . . . . ?
C20 N4 C16 C17 -1.8(7) . . . . ?
N4 C16 C17 C18 1.1(8) . . . . ?
C16 C17 C18 C19 0.7(8) . . . . ?
C17 C18 C19 C20 -1.8(8) . . . . ?
O4 N4 C20 C19 178.9(4) . . . . ?
C16 N4 C20 C19 0.8(7) . . . . ?
O4 N4 C20 C21 6.4(6) . . . . ?
C16 N4 C20 C21 -171.7(4) . . . . ?
C18 C19 C20 N4 1.1(8) . . . . ?
C18 C19 C20 C21 173.2(5) . . . . ?
O5 N5 C21 C22 170.1(4) . . . . ?
C25 N5 C21 C22 -6.4(6) . . . . ?
O5 N5 C21 C20 -9.7(6) . . . . ?
C25 N5 C21 C20 173.8(4) . . . . ?
N4 C20 C21 N5 -59.4(6) . . . . ?
C19 C20 C21 N5 128.4(5) . . . . ?
N4 C20 C21 C22 120.8(5) . . . . ?
C19 C20 C21 C22 -51.5(7) . . . . ?
N5 C21 C22 C23 1.0(7) . . . . ?
C20 C21 C22 C23 -179.2(4) . . . . ?
C21 C22 C23 C24 3.3(7) . . . . ?
C22 C23 C24 C25 -2.3(7) . . . . ?
O5 N5 C25 C24 -169.1(4) . . . . ?
C21 N5 C25 C24 7.4(6) . . . . ?
O5 N5 C25 C26 7.5(6) . . . . ?
C21 N5 C25 C26 -176.0(4) . . . . ?
C23 C24 C25 N5 -3.1(6) . . . . ?
C23 C24 C25 C26 -179.6(4) . . . . ?
O6 N6 C26 C27 -177.4(4) . . . . ?
C30 N6 C26 C27 0.5(6) . . . . ?
O6 N6 C26 C25 -2.9(6) . . . . ?
C30 N6 C26 C25 175.1(4) . . . . ?
N5 C25 C26 N6 56.9(6) . . . . ?
C24 C25 C26 N6 -126.6(5) . . . . ?
N5 C25 C26 C27 -128.7(5) . . . . ?
C24 C25 C26 C27 47.9(6) . . . . ?
N6 C26 C27 C28 -0.8(7) . . . . ?
C25 C26 C27 C28 -175.3(4) . . . . ?
C26 C27 C28 C29 0.3(7) . . . . ?
C27 C28 C29 C30 0.5(8) . . . . ?
O6 N6 C30 C29 178.3(4) . . . . ?
C26 N6 C30 C29 0.3(7) . . . . ?
C28 C29 C30 N6 -0.8(8) . . . . ?
O7 N7 C31 C32 -179.0(4) . . . . ?
C35 N7 C31 C32 0.3(7) . . . . ?
N7 C31 C32 C33 -0.4(8) . . . . ?
C31 C32 C33 C34 1.1(8) . . . . ?
C32 C33 C34 C35 -1.9(8) . . . . ?
O7 N7 C35 C34 178.2(4) . . . . ?
C31 N7 C35 C34 -1.1(7) . . . . ?
O7 N7 C35 C36 4.2(6) . . . . ?
C31 N7 C35 C36 -175.1(4) . . . . ?
C33 C34 C35 N7 1.9(7) . . . . ?
C33 C34 C35 C36 175.7(5) . . . . ?
O8 N8 C36 C37 179.6(4) . . . . ?
C40 N8 C36 C37 1.3(7) . . . . ?
O8 N8 C36 C35 5.8(6) . . . . ?
C40 N8 C36 C35 -172.5(4) . . . . ?
N7 C35 C36 N8 -69.0(6) . . . . ?
C34 C35 C36 N8 117.1(5) . . . . ?
N7 C35 C36 C37 117.2(5) . . . . ?
C34 C35 C36 C37 -56.6(7) . . . . ?
N8 C36 C37 C38 0.0(8) . . . . ?
C35 C36 C37 C38 173.7(5) . . . . ?
C36 C37 C38 C39 -1.4(9) . . . . ?
C37 C38 C39 C40 1.5(8) . . . . ?
O8 N8 C40 C39 -179.4(4) . . . . ?
C36 N8 C40 C39 -1.2(7) . . . . ?
O8 N8 C40 C41 -4.4(6) . . . . ?
C36 N8 C40 C41 173.9(4) . . . . ?
C38 C39 C40 N8 -0.2(8) . . . . ?
C38 C39 C40 C41 -175.2(5) . . . . ?
O9 N9 C41 C45 178.0(4) . . . . ?
C42 N9 C41 C45 -0.4(7) . . . . ?
O9 N9 C41 C40 -6.9(6) . . . . ?
C42 N9 C41 C40 174.7(4) . . . . ?
N8 C40 C41 C45 -50.6(7) . . . . ?
C39 C40 C41 C45 124.4(6) . . . . ?
N8 C40 C41 N9 134.6(4) . . . . ?
C39 C40 C41 N9 -50.5(6) . . . . ?
O9 N9 C42 C43 -177.2(5) . . . . ?
C41 N9 C42 C43 1.3(7) . . . . ?
N9 C42 C43 C44 -1.3(8) . . . . ?
C42 C43 C44 C45 0.3(8) . . . . ?
N9 C41 C45 C44 -0.5(7) . . . . ?
C40 C41 C45 C44 -175.2(5) . . . . ?
C43 C44 C45 C41 0.5(8) . . . . ?
