#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:19:21 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179685 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/07/7000768.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_7000768
loop_
_publ_author_name
'Pan, Mei'
'Zheng, Xiang-Li'
'Liu, Yu'
'Liu, Wei-Sheng'
'Su, Cheng-Yong'
_publ_section_title
;
 Structural and photoluminescent studies of lanthanide complexes with
 tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine):
 ligand substituent, anionic and secondary ligand effects
;
_journal_issue                   12
_journal_name_full               'Dalton Transactions'
_journal_page_first              2157
_journal_page_last               2169
_journal_paper_doi               10.1039/b818322h
_journal_year                    2009
_chemical_formula_sum            'C55 H51 Eu N18 O21'
_chemical_formula_weight         1452.10
_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                 106.525(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0075(2)
_cell_length_b                   21.1128(3)
_cell_length_c                   21.0118(4)
_cell_measurement_reflns_used    18471
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.6794
_cell_measurement_theta_min      2.7843
_cell_volume                     5957.31(18)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  Gemini
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            40752
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.80
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  0.6894
_exptl_absorpt_correction_T_min  0.5975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2952
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_refine_diff_density_max         2.277
_refine_diff_density_min         -0.877
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     807
_refine_ls_number_reflns         14242
_refine_ls_number_restraints     922
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0760P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1177
_refine_ls_wR_factor_ref         0.1285
_reflns_number_gt                9845
_reflns_number_total             14242
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818322h.txt
_cod_data_source_block           9
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5957.31(17)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000768
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 0.306435(9) 0.323427(6) 0.088249(6) 0.02079(3) Uani 1 1 d . . .
N1 N 0.25395(15) 0.39612(10) 0.18124(10) 0.0239(5) Uani 1 1 d U C .
N2 N 0.44448(15) 0.38293(10) 0.17533(10) 0.0266(5) Uani 1 1 d U C .
N3 N 0.51495(18) 0.41383(13) 0.27905(11) 0.0386(7) Uani 1 1 d U . .
N4 N 0.18284(16) 0.41728(10) 0.04982(10) 0.0266(5) Uani 1 1 d U . .
N5 N 0.15973(16) 0.52139(10) 0.05679(11) 0.0287(5) Uani 1 1 d U C .
N6 N 0.20773(15) 0.26998(10) 0.16037(10) 0.0254(5) Uani 1 1 d U . .
N7 N 0.08527(15) 0.27154(10) 0.20941(11) 0.0279(5) Uani 1 1 d U . .
N8 N 0.05918(19) 0.24667(13) 0.00079(13) 0.0465(7) Uani 1 1 d U . .
N9 N 0.0313(2) 0.07260(13) -0.15357(14) 0.0554(8) Uani 1 1 d U . .
N10 N 0.35656(19) 0.11980(13) -0.00103(15) 0.0509(7) Uani 1 1 d U . .
N11 N 0.49475(17) 0.23663(12) 0.20949(12) 0.0380(6) Uani 1 1 d U B .
N14 N 0.24830(17) 0.26570(11) -0.14404(10) 0.0311(6) Uani 1 1 d U . .
N15 N 0.38492(16) 0.45118(11) -0.00544(11) 0.0296(6) Uani 1 1 d U . .
N16 N 0.46091(16) 0.41723(11) -0.21357(11) 0.0307(6) Uani 1 1 d U . .
C1 C 0.33174(19) 0.38740(14) 0.24546(13) 0.0299(6) Uani 1 1 d U . .
H1A H 0.3237 0.4196 0.2778 0.036 Uiso 1 1 calc R C .
H1B H 0.3255 0.3449 0.2637 0.036 Uiso 1 1 calc R . .
C2 C 0.43094(19) 0.39417(13) 0.23384(12) 0.0270(6) Uani 1 1 d U C .
C3 C 0.54449(19) 0.39722(12) 0.18283(12) 0.0251(6) Uani 1 1 d U . .
C4 C 0.59980(19) 0.39665(13) 0.13629(14) 0.0310(7) Uani 1 1 d U C .
H4A H 0.5717 0.3819 0.0922 0.037 Uiso 1 1 calc R . .
C5 C 0.6965(2) 0.41842(14) 0.15762(15) 0.0363(7) Uani 1 1 d U . .
H5A H 0.7353 0.4194 0.1272 0.044 Uiso 1 1 calc R C .
C6 C 0.7385(2) 0.43875(16) 0.22196(16) 0.0428(8) Uani 1 1 d U C .
H6A H 0.8054 0.4535 0.2347 0.051 Uiso 1 1 calc R . .
C7 C 0.6859(2) 0.43823(18) 0.26811(16) 0.0480(9) Uani 1 1 d U . .
H7A H 0.7152 0.4517 0.3125 0.058 Uiso 1 1 calc R C .
C8 C 0.5880(2) 0.41724(15) 0.24694(14) 0.0360(7) Uani 1 1 d U C .
C12 C 0.2488(2) 0.46347(12) 0.16104(13) 0.0281(6) Uani 1 1 d U . .
H12A H 0.3168 0.4811 0.1699 0.034 Uiso 1 1 calc R C .
H12B H 0.2124 0.4883 0.1867 0.034 Uiso 1 1 calc R . .
C13 C 0.19616(19) 0.46726(12) 0.08889(13) 0.0266(6) Uani 1 1 d U C .
C14 C 0.13320(19) 0.44050(13) -0.01390(13) 0.0280(6) Uani 1 1 d U . .
C15 C 0.09975(19) 0.40923(14) -0.07420(14) 0.0320(7) Uani 1 1 d U . .
H15A H 0.1073 0.3647 -0.0774 0.038 Uiso 1 1 calc R . .
C16 C 0.0551(2) 0.44525(14) -0.12949(15) 0.0372(7) Uani 1 1 d U . .
H16A H 0.0309 0.4253 -0.1715 0.045 Uiso 1 1 calc R . .
C17 C 0.0450(2) 0.51105(16) -0.12431(15) 0.0433(8) Uani 1 1 d U . .
H17A H 0.0161 0.5348 -0.1635 0.052 Uiso 1 1 calc R . .
C18 C 0.0752(2) 0.54213(14) -0.06520(14) 0.0388(7) Uani 1 1 d U . .
H18A H 0.0654 0.5864 -0.0621 0.047 Uiso 1 1 calc R . .
C19 C 0.12092(19) 0.50603(13) -0.00951(14) 0.0308(6) Uani 1 1 d U . .
C20 C 0.1654(2) 0.58523(14) 0.08489(17) 0.0470(8) Uani 1 1 d U . .
H20A H 0.1501 0.5834 0.1280 0.056 Uiso 1 1 calc R A 1
H20B H 0.1150 0.6126 0.0547 0.056 Uiso 1 1 calc R A 1
C23 C 0.15667(18) 0.37501(13) 0.18730(13) 0.0270(6) Uani 1 1 d U . .
H23A H 0.1028 0.3927 0.1502 0.032 Uiso 1 1 calc R C .
H23B H 0.1474 0.3910 0.2294 0.032 Uiso 1 1 calc R . .
C24 C 0.15032(18) 0.30493(13) 0.18604(12) 0.0248(6) Uani 1 1 d U C .
C25 C 0.17906(19) 0.20723(13) 0.16861(13) 0.0277(6) Uani 1 1 d U . .
C26 C 0.2175(2) 0.14980(14) 0.15466(14) 0.0362(7) Uani 1 1 d U . .
H26A H 0.2701 0.1482 0.1345 0.043 Uiso 1 1 calc R . .
C27 C 0.1760(3) 0.09524(14) 0.17131(17) 0.0477(9) Uani 1 1 d U . .
H27A H 0.2008 0.0554 0.1622 0.057 Uiso 1 1 calc R . .
C28 C 0.0978(3) 0.09690(15) 0.20147(17) 0.0506(9) Uani 1 1 d U . .
H28A H 0.0701 0.0584 0.2114 0.061 Uiso 1 1 calc R . .
C29 C 0.0608(2) 0.15469(16) 0.21682(16) 0.0453(8) Uani 1 1 d U . .
H29A H 0.0095 0.1569 0.2381 0.054 Uiso 1 1 calc R . .
C30 C 0.1028(2) 0.20742(13) 0.19936(13) 0.0307(7) Uani 1 1 d U . .
C31 C 0.0111(2) 0.29547(16) 0.24005(14) 0.0381(7) Uani 1 1 d U . .
H31A H 0.0400 0.3319 0.2688 0.046 Uiso 1 1 calc R . .
H31B H -0.0036 0.2619 0.2688 0.046 Uiso 1 1 calc R . .
C32 C -0.0827(3) 0.3157(2) 0.1926(2) 0.0723(12) Uani 1 1 d U . .
H32A H -0.1294 0.3271 0.2185 0.087 Uiso 1 1 calc R . .
H32B H -0.0690 0.3550 0.1710 0.087 Uiso 1 1 calc R . .
C33 C -0.1334(4) 0.2731(3) 0.1415(3) 0.0991(15) Uiso 1 1 d U . .
H33A H -0.1924 0.2940 0.1126 0.149 Uiso 1 1 calc R . .
H33B H -0.1540 0.2354 0.1614 0.149 Uiso 1 1 calc R . .
H33C H -0.0888 0.2606 0.1153 0.149 Uiso 1 1 calc R . .
C34 C 0.2150(2) 0.18756(12) 0.00247(13) 0.0288(6) Uani 1 1 d U . .
C35 C 0.1088(2) 0.19522(14) -0.02307(14) 0.0336(7) Uani 1 1 d U . .
C36 C 0.0493(2) 0.15671(15) -0.07158(15) 0.0412(8) Uani 1 1 d U . .
H36A H -0.0209 0.1623 -0.0855 0.049 Uiso 1 1 calc R . .
C37 C 0.0927(2) 0.11053(14) -0.09921(14) 0.0389(8) Uani 1 1 d U . .
C38 C 0.1937(2) 0.09930(14) -0.07742(13) 0.0369(8) Uani 1 1 d U . .
H38A H 0.2229 0.0670 -0.0973 0.044 Uiso 1 1 calc R . .
C39 C 0.2509(2) 0.13510(13) -0.02702(13) 0.0324(7) Uani 1 1 d U . .
C46 C 0.32053(17) 0.35375(12) -0.06809(12) 0.0217(6) Uani 1 1 d U . .
C47 C 0.37616(18) 0.41155(12) -0.06230(12) 0.0232(6) Uani 1 1 d U . .
C48 C 0.42016(19) 0.43258(13) -0.10910(13) 0.0273(6) Uani 1 1 d U . .
H48A H 0.4563 0.4713 -0.1029 0.033 Uiso 1 1 calc R . .
C49 C 0.41086(19) 0.39651(12) -0.16532(12) 0.0270(6) Uani 1 1 d U . .
C50 C 0.35494(19) 0.34123(13) -0.17699(13) 0.0265(6) Uani 1 1 d U . .
H50A H 0.3485 0.3169 -0.2160 0.032 Uiso 1 1 calc R . .
C51 C 0.30972(18) 0.32303(11) -0.13080(12) 0.0223(6) Uani 1 1 d U . .
O1 O 0.27117(14) 0.22152(9) 0.04642(9) 0.0311(5) Uani 1 1 d U . .
O2 O 0.10521(16) 0.29318(10) 0.02636(10) 0.0422(6) Uani 1 1 d U . .
O3 O -0.03085(19) 0.24092(14) -0.00596(16) 0.0831(10) Uani 1 1 d U . .
O4 O -0.0585(2) 0.07724(14) -0.16512(15) 0.0839(10) Uani 1 1 d U . .
O5 O 0.0732(2) 0.03872(12) -0.18452(12) 0.0679(8) Uani 1 1 d U . .
O6 O 0.4013(2) 0.10426(16) -0.04109(16) 0.0897(10) Uani 1 1 d U . .
O7 O 0.39438(17) 0.11907(12) 0.05829(14) 0.0654(8) Uani 1 1 d U . .
O8 O 0.45804(13) 0.28527(8) 0.07776(9) 0.0278(5) Uani 1 1 d U . .
O9 O 0.40700(13) 0.25230(9) 0.18868(9) 0.0302(5) Uani 1 1 d U . .
O10 O 0.53717(18) 0.23614(14) 0.26927(11) 0.0616(8) Uani 1 1 d U . .
O15 O 0.28298(12) 0.33142(8) -0.02514(8) 0.0225(4) Uani 1 1 d U . .
O16 O 0.38400(14) 0.42752(9) 0.04833(9) 0.0332(5) Uani 1 1 d U . .
O17 O 0.39554(17) 0.50864(10) -0.01110(10) 0.0453(6) Uani 1 1 d U . .
O18 O 0.52083(15) 0.46064(10) -0.19780(10) 0.0417(5) Uani 1 1 d U . .
O19 O 0.44032(17) 0.39088(10) -0.26719(10) 0.0488(6) Uani 1 1 d DU . .
O20 O 0.27946(17) 0.22010(9) -0.16692(11) 0.0461(6) Uani 1 1 d U . .
O21 O 0.16718(15) 0.26692(10) -0.13299(10) 0.0432(6) Uani 1 1 d U . .
C40 C 0.52153(19) 0.24249(14) 0.09783(14) 0.0314(7) Uani 1 1 d U B .
C41 C 0.5462(2) 0.21599(15) 0.16335(15) 0.0394(8) Uani 1 1 d U . .
C45 C 0.5795(2) 0.21606(17) 0.05848(16) 0.0495(8) Uani 1 1 d U . .
N13 N 0.5641(2) 0.23634(15) -0.01011(14) 0.0611(8) Uani 1 1 d U B .
C42 C 0.6279(4) 0.1815(2) 0.1955(3) 0.0295(12) Uiso 0.50 1 d P B 1
H42A H 0.6450 0.1731 0.2418 0.035 Uiso 0.50 1 calc PR B 1
C43 C 0.6848(5) 0.1595(3) 0.1550(3) 0.0407(15) Uiso 0.50 1 d P B 1
C44 C 0.6680(5) 0.1814(3) 0.0917(3) 0.0373(14) Uiso 0.50 1 d P B 1
H44A H 0.7163 0.1736 0.0688 0.045 Uiso 0.50 1 calc PR B 1
N12 N 0.7650(4) 0.1145(3) 0.1828(3) 0.0538(15) Uiso 0.50 1 d P B 1
O11 O 0.7710(4) 0.0921(2) 0.2367(3) 0.0623(14) Uiso 0.50 1 d P B 1
O12 O 0.8120(5) 0.0966(3) 0.1449(3) 0.0864(19) Uiso 0.50 1 d P B 1
O13 O 0.6357(3) 0.2266(2) -0.0326(2) 0.0628(12) Uiso 0.60 1 d P B 1
O14 O 0.4840(3) 0.2534(2) -0.0415(2) 0.0607(11) Uiso 0.60 1 d P B 1
C42' C 0.6048(4) 0.1565(3) 0.1754(3) 0.0375(14) Uiso 0.50 1 d P B 2
H42' H 0.6154 0.1363 0.2172 0.045 Uiso 0.50 1 calc PR B 2
C43' C 0.6438(4) 0.1298(3) 0.1304(3) 0.0366(13) Uiso 0.50 1 d P B 2
C44' C 0.6309(4) 0.1565(3) 0.0682(3) 0.0395(14) Uiso 0.50 1 d P B 2
H44B H 0.6542 0.1369 0.0348 0.047 Uiso 0.50 1 calc PR B 2
N12' N 0.7003(5) 0.0717(3) 0.1473(3) 0.0678(18) Uiso 0.50 1 d P B 2
O11' O 0.7147(4) 0.0477(3) 0.2027(3) 0.0709(15) Uiso 0.50 1 d P B 2
O12' O 0.7372(5) 0.0495(3) 0.1068(3) 0.093(2) Uiso 0.50 1 d P B 2
O13' O 0.5988(5) 0.2118(3) -0.0500(3) 0.0569(17) Uiso 0.40 1 d P B 2
O14' O 0.5344(6) 0.2940(5) -0.0219(4) 0.096(3) Uiso 0.40 1 d P B 2
N17 N 0.8699(5) 0.2946(3) -0.1845(3) 0.162(2) Uiso 1 1 d . . .
C52 C 0.8226(4) 0.2553(3) -0.1681(3) 0.1024(18) Uiso 1 1 d . . .
C53 C 0.7619(4) 0.2101(3) -0.1449(3) 0.0931(16) Uiso 1 1 d . . .
H53A H 0.7473 0.1737 -0.1750 0.140 Uiso 1 1 calc R . .
H53B H 0.6994 0.2304 -0.1439 0.140 Uiso 1 1 calc R . .
H53C H 0.7979 0.1959 -0.1001 0.140 Uiso 1 1 calc R . .
N18 N 0.8146(6) 0.0607(7) -0.0362(6) 0.346 Uiso 1 1 d D . .
C54 C 0.8874(8) 0.0463(6) -0.0141(6) 0.274(6) Uiso 1 1 d D . .
C55 C 0.9357(6) 0.0768(4) 0.0431(4) 0.189(4) Uiso 1 1 d D . .
H55A H 0.9873 0.0490 0.0704 0.283 Uiso 1 1 calc R . .
H55B H 0.8881 0.0878 0.0675 0.283 Uiso 1 1 calc R . .
H55C H 0.9667 0.1154 0.0324 0.283 Uiso 1 1 calc R . .
C9 C 0.5280(4) 0.4122(2) 0.3532(3) 0.0262(11) Uiso 0.50 1 d P C 1
H9A H 0.5896 0.3888 0.3759 0.031 Uiso 0.50 1 calc PR C 1
H9B H 0.4709 0.3901 0.3622 0.031 Uiso 0.50 1 calc PR C 1
C10 C 0.5344(4) 0.4803(3) 0.3794(3) 0.0349(13) Uiso 0.50 1 d P C 1
H10A H 0.5562 0.4791 0.4285 0.042 Uiso 0.50 1 calc PR C 1
H10B H 0.5861 0.5031 0.3647 0.042 Uiso 0.50 1 calc PR C 1
C11 C 0.4429(4) 0.5156(3) 0.3583(3) 0.0367(14) Uiso 0.50 1 d P C 1
H11A H 0.4540 0.5587 0.3760 0.055 Uiso 0.50 1 calc PR C 1
H11B H 0.3921 0.4949 0.3748 0.055 Uiso 0.50 1 calc PR C 1
H11C H 0.4203 0.5171 0.3097 0.055 Uiso 0.50 1 calc PR C 1
C9' C 0.5256(5) 0.4540(3) 0.3452(3) 0.0450(16) Uiso 0.50 1 d P C 2
H9'A H 0.5606 0.4944 0.3434 0.054 Uiso 0.50 1 calc PR C 2
H9'B H 0.4592 0.4636 0.3506 0.054 Uiso 0.50 1 calc PR C 2
C10' C 0.5830(6) 0.4149(4) 0.3999(4) 0.064(2) Uiso 0.50 1 d P C 2
H10C H 0.6464 0.4019 0.3918 0.077 Uiso 0.50 1 calc PR C 2
H10D H 0.5450 0.3762 0.4037 0.077 Uiso 0.50 1 calc PR C 2
C11' C 0.6038(6) 0.4531(4) 0.4632(4) 0.075(2) Uiso 0.50 1 d P C 2
H11D H 0.6440 0.4278 0.5003 0.112 Uiso 0.50 1 calc PR C 2
H11E H 0.5407 0.4645 0.4717 0.112 Uiso 0.50 1 calc PR C 2
H11F H 0.6401 0.4917 0.4587 0.112 Uiso 0.50 1 calc PR C 2
C21 C 0.2713(4) 0.6146(3) 0.0952(3) 0.0424(12) Uiso 0.60 1 d P D 1
H21A H 0.2786 0.6521 0.1246 0.051 Uiso 0.60 1 calc PR D 1
H21B H 0.3224 0.5832 0.1175 0.051 Uiso 0.60 1 calc PR D 1
C22 C 0.2894(5) 0.6347(4) 0.0289(4) 0.075(2) Uiso 0.60 1 d P D 1
H22A H 0.3569 0.6519 0.0374 0.112 Uiso 0.60 1 calc PR D 1
H22B H 0.2408 0.6672 0.0075 0.112 Uiso 0.60 1 calc PR D 1
H22C H 0.2820 0.5978 -0.0004 0.112 Uiso 0.60 1 calc PR D 1
C21' C 0.2319(7) 0.6286(5) 0.0599(5) 0.058(2) Uiso 0.40 1 d P D 2
H21C H 0.2220 0.6210 0.0119 0.069 Uiso 0.40 1 calc PR D 2
H21D H 0.2146 0.6732 0.0658 0.069 Uiso 0.40 1 calc PR D 2
C22' C 0.3267(9) 0.6180(7) 0.0931(6) 0.089(4) Uiso 0.40 1 d P D 2
H22D H 0.3697 0.6462 0.0765 0.134 Uiso 0.40 1 calc PR D 2
H22E H 0.3437 0.5738 0.0869 0.134 Uiso 0.40 1 calc PR D 2
H22F H 0.3364 0.6261 0.1405 0.134 Uiso 0.40 1 calc PR D 2
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
O15 Eu1 O1 74.09(6) . . ?
O15 Eu1 O8 78.18(6) . . ?
O1 Eu1 O8 75.32(6) . . ?
O15 Eu1 N2 123.54(6) . . ?
O1 Eu1 N2 139.04(6) . . ?
O8 Eu1 N2 73.57(6) . . ?
O15 Eu1 N6 133.80(6) . . ?
O1 Eu1 N6 74.08(7) . . ?
O8 Eu1 N6 123.81(6) . . ?
N2 Eu1 N6 102.41(7) . . ?
O15 Eu1 N4 74.83(6) . . ?
O1 Eu1 N4 122.43(6) . . ?
O8 Eu1 N4 140.72(7) . . ?
N2 Eu1 N4 98.48(6) . . ?
N6 Eu1 N4 95.44(7) . . ?
O15 Eu1 O9 138.51(6) . . ?
O1 Eu1 O9 77.51(6) . . ?
O8 Eu1 O9 65.68(6) . . ?
N2 Eu1 O9 65.73(6) . . ?
N6 Eu1 O9 62.39(6) . . ?
N4 Eu1 O9 146.65(6) . . ?
O15 Eu1 O16 64.62(6) . . ?
O1 Eu1 O16 134.43(6) . . ?
O8 Eu1 O16 78.11(6) . . ?
N2 Eu1 O16 62.31(6) . . ?
N6 Eu1 O16 150.58(6) . . ?
N4 Eu1 O16 64.74(6) . . ?
O9 Eu1 O16 122.81(5) . . ?
O15 Eu1 N1 134.68(6) . . ?
O1 Eu1 N1 135.72(7) . . ?
O8 Eu1 N1 133.93(6) . . ?
N2 Eu1 N1 61.39(7) . . ?
N6 Eu1 N1 61.97(7) . . ?
N4 Eu1 N1 60.40(6) . . ?
O9 Eu1 N1 86.51(6) . . ?
O16 Eu1 N1 88.79(6) . . ?
O15 Eu1 O2 73.24(6) . . ?
O1 Eu1 O2 62.54(6) . . ?
O8 Eu1 O2 133.89(6) . . ?
N2 Eu1 O2 152.43(7) . . ?
N6 Eu1 O2 62.63(6) . . ?
N4 Eu1 O2 62.64(6) . . ?
O9 Eu1 O2 118.33(6) . . ?
O16 Eu1 O2 118.72(6) . . ?
N1 Eu1 O2 91.14(6) . . ?
C23 N1 C12 110.2(2) . . ?
C23 N1 C1 110.0(2) . . ?
C12 N1 C1 110.0(2) . . ?
C23 N1 Eu1 109.52(14) . . ?
C12 N1 Eu1 109.53(15) . . ?
C1 N1 Eu1 107.56(15) . . ?
C2 N2 C3 105.2(2) . . ?
C2 N2 Eu1 118.15(17) . . ?
C3 N2 Eu1 135.26(17) . . ?
C2 N3 C8 106.9(2) . . ?
C2 N3 C9 122.8(3) . . ?
C8 N3 C9 127.9(3) . . ?
C2 N3 C9' 128.5(3) . . ?
C8 N3 C9' 119.9(3) . . ?
C9 N3 C9' 33.4(3) . . ?
C13 N4 C14 104.9(2) . . ?
C13 N4 Eu1 116.90(15) . . ?
C14 N4 Eu1 131.61(17) . . ?
C13 N5 C19 106.8(2) . . ?
C13 N5 C20 127.4(2) . . ?
C19 N5 C20 125.6(2) . . ?
C24 N6 C25 104.4(2) . . ?
C24 N6 Eu1 119.16(17) . . ?
C25 N6 Eu1 134.54(18) . . ?
C24 N7 C30 106.5(2) . . ?
C24 N7 C31 128.2(2) . . ?
C30 N7 C31 125.3(2) . . ?
O2 N8 O3 121.8(3) . . ?
O2 N8 C35 120.8(3) . . ?
O3 N8 C35 117.4(3) . . ?
O4 N9 O5 124.5(3) . . ?
O4 N9 C37 117.3(3) . . ?
O5 N9 C37 118.2(3) . . ?
O7 N10 O6 123.0(3) . . ?
O7 N10 C39 119.3(3) . . ?
O6 N10 C39 117.6(3) . . ?
O9 N11 O10 120.7(3) . . ?
O9 N11 C41 119.2(2) . . ?
O10 N11 C41 120.0(2) . . ?
O20 N14 O21 123.4(2) . . ?
O20 N14 C51 118.3(2) . . ?
O21 N14 C51 118.3(2) . . ?
O17 N15 O16 121.2(2) . . ?
O17 N15 C47 118.5(2) . . ?
O16 N15 C47 120.3(2) . . ?
O19 N16 O18 123.9(2) . . ?
O19 N16 C49 118.3(2) . . ?
O18 N16 C49 117.8(2) . . ?
C2 C1 N1 108.5(2) . . ?
C2 C1 H1A 110.0 . . ?
N1 C1 H1A 110.0 . . ?
C2 C1 H1B 110.0 . . ?
N1 C1 H1B 110.0 . . ?
H1A C1 H1B 108.4 . . ?
N2 C2 N3 112.6(2) . . ?
N2 C2 C1 121.7(2) . . ?
N3 C2 C1 125.7(2) . . ?
C8 C3 N2 109.1(2) . . ?
C8 C3 C4 120.2(2) . . ?
N2 C3 C4 130.6(2) . . ?
C5 C4 C3 117.0(3) . . ?
C5 C4 H4A 121.5 . . ?
C3 C4 H4A 121.5 . . ?
C4 C5 C6 121.8(3) . . ?
C4 C5 H5A 119.1 . . ?
C6 C5 H5A 119.1 . . ?
C7 C6 C5 121.6(3) . . ?
C7 C6 H6A 119.2 . . ?
C5 C6 H6A 119.2 . . ?
C6 C7 C8 117.1(3) . . ?
C6 C7 H7A 121.5 . . ?
C8 C7 H7A 121.5 . . ?
C3 C8 N3 106.2(2) . . ?
C3 C8 C7 122.2(3) . . ?
N3 C8 C7 131.5(3) . . ?
N1 C12 C13 108.3(2) . . ?
N1 C12 H12A 110.0 . . ?
C13 C12 H12A 110.0 . . ?
N1 C12 H12B 110.0 . . ?
C13 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
N4 C13 N5 113.6(2) . . ?
N4 C13 C12 122.2(2) . . ?
N5 C13 C12 124.2(2) . . ?
C15 C14 C19 121.0(2) . . ?
C15 C14 N4 130.5(2) . . ?
C19 C14 N4 108.5(2) . . ?
C16 C15 C14 117.5(3) . . ?
C16 C15 H15A 121.3 . . ?
C14 C15 H15A 121.3 . . ?
C15 C16 C17 120.8(3) . . ?
C15 C16 H16A 119.6 . . ?
C17 C16 H16A 119.6 . . ?
C18 C17 C16 122.4(3) . . ?
C18 C17 H17A 118.8 . . ?
C16 C17 H17A 118.8 . . ?
C17 C18 C19 116.9(3) . . ?
C17 C18 H18A 121.5 . . ?
C19 C18 H18A 121.5 . . ?
N5 C19 C18 132.4(3) . . ?
N5 C19 C14 106.1(2) . . ?
C18 C19 C14 121.5(3) . . ?
N5 C20 C21' 112.8(5) . . ?
N5 C20 C21 111.2(3) . . ?
C21' C20 C21 31.8(4) . . ?
N5 C20 H20A 109.4 . . ?
C21' C20 H20A 131.4 . . ?
C21 C20 H20A 109.4 . . ?
N5 C20 H20B 109.4 . . ?
C21' C20 H20B 79.6 . . ?
C21 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
N1 C23 C24 110.6(2) . . ?
N1 C23 H23A 109.5 . . ?
C24 C23 H23A 109.5 . . ?
N1 C23 H23B 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
N6 C24 N7 114.3(2) . . ?
N6 C24 C23 121.8(2) . . ?
N7 C24 C23 123.9(2) . . ?
C26 C25 C30 119.5(3) . . ?
C26 C25 N6 130.7(3) . . ?
C30 C25 N6 109.6(2) . . ?
C27 C26 C25 117.3(3) . . ?
C27 C26 H26A 121.3 . . ?
C25 C26 H26A 121.3 . . ?
C26 C27 C28 121.9(3) . . ?
C26 C27 H27A 119.0 . . ?
C28 C27 H27A 119.0 . . ?
C29 C28 C27 120.7(3) . . ?
C29 C28 H28A 119.7 . . ?
C27 C28 H28A 119.7 . . ?
C30 C29 C28 115.8(3) . . ?
C30 C29 H29A 122.1 . . ?
C28 C29 H29A 122.1 . . ?
C29 C30 C25 124.7(3) . . ?
C29 C30 N7 130.0(3) . . ?
C25 C30 N7 105.2(2) . . ?
N7 C31 C32 114.4(3) . . ?
N7 C31 H31A 108.7 . . ?
C32 C31 H31A 108.7 . . ?
N7 C31 H31B 108.7 . . ?
C32 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 119.0(4) . . ?
C33 C32 H32A 107.6 . . ?
C31 C32 H32A 107.6 . . ?
C33 C32 H32B 107.6 . . ?
C31 C32 H32B 107.6 . . ?
H32A C32 H32B 107.0 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O1 C34 C39 122.6(3) . . ?
O1 C34 C35 125.1(3) . . ?
C39 C34 C35 112.3(2) . . ?
C36 C35 C34 123.4(3) . . ?
C36 C35 N8 116.5(3) . . ?
C34 C35 N8 120.0(2) . . ?
C37 C36 C35 119.1(3) . . ?
C37 C36 H36A 120.5 . . ?
C35 C36 H36A 120.5 . . ?
C36 C37 C38 121.5(3) . . ?
C36 C37 N9 119.4(3) . . ?
C38 C37 N9 119.1(3) . . ?
C39 C38 C37 119.0(3) . . ?
C39 C38 H38A 120.5 . . ?
C37 C38 H38A 120.5 . . ?
C38 C39 C34 124.5(3) . . ?
C38 C39 N10 118.5(3) . . ?
C34 C39 N10 116.9(2) . . ?
O15 C46 C47 125.9(2) . . ?
O15 C46 C51 122.1(2) . . ?
C47 C46 C51 112.0(2) . . ?
C48 C47 C46 123.9(2) . . ?
C48 C47 N15 117.3(2) . . ?
C46 C47 N15 118.8(2) . . ?
C47 C48 C49 118.8(2) . . ?
C47 C48 H48A 120.6 . . ?
C49 C48 H48A 120.6 . . ?
C48 C49 C50 121.8(3) . . ?
C48 C49 N16 118.9(2) . . ?
C50 C49 N16 119.3(2) . . ?
C51 C50 C49 117.8(2) . . ?
C51 C50 H50A 121.1 . . ?
C49 C50 H50A 121.1 . . ?
C50 C51 C46 125.4(2) . . ?
C50 C51 N14 117.8(2) . . ?
C46 C51 N14 116.7(2) . . ?
C34 O1 Eu1 146.04(17) . . ?
N8 O2 Eu1 136.30(18) . . ?
C40 O8 Eu1 142.42(19) . . ?
N11 O9 Eu1 133.57(17) . . ?
C46 O15 Eu1 143.03(15) . . ?
N15 O16 Eu1 136.38(15) . . ?
O8 C40 C45 123.6(3) . . ?
O8 C40 C41 123.9(3) . . ?
C45 C40 C41 112.5(3) . . ?
C42 C41 N11 109.9(3) . . ?
C42 C41 C40 128.6(4) . . ?
N11 C41 C40 120.1(2) . . ?
C42 C41 C42' 27.9(3) . . ?
N11 C41 C42' 120.2(3) . . ?
C40 C41 C42' 117.8(4) . . ?
C40 C45 C44' 127.2(4) . . ?
C40 C45 C44 118.2(4) . . ?
C44' C45 C44 32.5(3) . . ?
C40 C45 N13 120.6(3) . . ?
C44' C45 N13 109.0(4) . . ?
C44 C45 N13 119.6(4) . . ?
O14 N13 O13' 104.5(4) . . ?
O14 N13 O13 125.3(4) . . ?
O13' N13 O13 29.6(3) . . ?
O14 N13 O14' 53.3(4) . . ?
O13' N13 O14' 116.5(6) . . ?
O13 N13 O14' 109.5(5) . . ?
O14 N13 C45 119.3(3) . . ?
O13' N13 C45 126.0(4) . . ?
O13 N13 C45 114.7(3) . . ?
O14' N13 C45 114.6(5) . . ?
C41 C42 C43 114.7(5) . . ?
C41 C42 H42A 122.6 . . ?
C43 C42 H42A 122.6 . . ?
C44 C43 C42 120.7(6) . . ?
C44 C43 N12 120.8(6) . . ?
C42 C43 N12 118.5(6) . . ?
C43 C44 C45 122.2(6) . . ?
C43 C44 H44A 118.9 . . ?
C45 C44 H44A 118.9 . . ?
O11 N12 O12 125.6(6) . . ?
O11 N12 C43 118.1(6) . . ?
O12 N12 C43 115.6(6) . . ?
C43' C42' C41 123.4(5) . . ?
C43' C42' H42' 118.3 . . ?
C41 C42' H42' 118.3 . . ?
C42' C43' C44' 121.5(6) . . ?
C42' C43' N12' 119.1(6) . . ?
C44' C43' N12' 119.5(6) . . ?
C43' C44' C45 114.7(6) . . ?
C43' C44' H44B 122.7 . . ?
C45 C44' H44B 122.7 . . ?
O12' N12' O11' 121.2(7) . . ?
O12' N12' C43' 117.9(7) . . ?
O11' N12' C43' 120.8(7) . . ?
N17 C52 C53 175.8(7) . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N18 C54 C55 115.8(14) . . ?
C54 C55 H55A 109.4 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
N3 C9 C10 108.9(4) . . ?
N3 C9 H9A 109.9 . . ?
C10 C9 H9A 109.9 . . ?
N3 C9 H9B 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C11 C10 C9 114.8(5) . . ?
C11 C10 H10A 108.6 . . ?
C9 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
C9 C10 H10B 108.6 . . ?
H10A C10 H10B 107.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10' C9' N3 106.2(5) . . ?
C10' C9' H9'A 110.5 . . ?
N3 C9' H9'A 110.5 . . ?
C10' C9' H9'B 110.5 . . ?
N3 C9' H9'B 110.5 . . ?
H9'A C9' H9'B 108.7 . . ?
C9' C10' C11' 108.5(7) . . ?
C9' C10' H10C 110.0 . . ?
C11' C10' H10C 110.0 . . ?
C9' C10' H10D 110.0 . . ?
C11' C10' H10D 110.0 . . ?
H10C C10' H10D 108.4 . . ?
C10' C11' H11D 109.5 . . ?
C10' C11' H11E 109.5 . . ?
H11D C11' H11E 109.5 . . ?
C10' C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C22 C21 C20 112.1(4) . . ?
C22 C21 H21A 109.2 . . ?
C20 C21 H21A 109.2 . . ?
C22 C21 H21B 109.2 . . ?
C20 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C22' C21' C20 109.8(9) . . ?
C22' C21' H21C 109.7 . . ?
C20 C21' H21C 109.7 . . ?
C22' C21' H21D 109.7 . . ?
C20 C21' H21D 109.7 . . ?
H21C C21' H21D 108.2 . . ?
C21' C22' H22D 109.5 . . ?
C21' C22' H22E 109.5 . . ?
H22D C22' H22E 109.5 . . ?
C21' C22' H22F 109.5 . . ?
H22D C22' H22F 109.5 . . ?
H22E C22' H22F 109.5 . . ?
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 O15 2.3167(17) . ?
Eu1 O1 2.3235(18) . ?
Eu1 O8 2.3395(18) . ?
Eu1 N2 2.579(2) . ?
Eu1 N6 2.583(2) . ?
Eu1 N4 2.604(2) . ?
Eu1 O9 2.6461(17) . ?
Eu1 O16 2.689(2) . ?
Eu1 N1 2.744(2) . ?
Eu1 O2 2.821(2) . ?
N1 C23 1.473(3) . ?
N1 C12 1.480(3) . ?
N1 C1 1.485(3) . ?
N2 C2 1.318(3) . ?
N2 C3 1.397(3) . ?
N3 C2 1.350(3) . ?
N3 C8 1.379(4) . ?
N3 C9 1.517(6) . ?
N3 C9' 1.598(7) . ?
N4 C13 1.317(3) . ?
N4 C14 1.409(3) . ?
N5 C13 1.351(3) . ?
N5 C19 1.382(3) . ?
N5 C20 1.464(4) . ?
N6 C24 1.315(3) . ?
N6 C25 1.409(3) . ?
N7 C24 1.350(3) . ?
N7 C30 1.403(4) . ?
N7 C31 1.459(4) . ?
N8 O2 1.213(3) . ?
N8 O3 1.234(4) . ?
N8 C35 1.453(4) . ?
N9 O4 1.216(4) . ?
N9 O5 1.223(4) . ?
N9 C37 1.459(4) . ?
N10 O7 1.208(4) . ?
N10 O6 1.229(4) . ?
N10 C39 1.461(4) . ?
N11 O9 1.227(3) . ?
N11 O10 1.227(3) . ?
N11 C41 1.431(4) . ?
N14 O20 1.212(3) . ?
N14 O21 1.223(3) . ?
N14 C51 1.465(3) . ?
N15 O17 1.232(3) . ?
N15 O16 1.239(3) . ?
N15 C47 1.435(3) . ?
N16 O19 1.215(3) . ?
N16 O18 1.223(3) . ?
N16 C49 1.454(4) . ?
C1 C2 1.485(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C3 C8 1.378(4) . ?
C3 C4 1.410(4) . ?
C4 C5 1.379(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.380(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.375(5) . ?
C6 H6A 0.9500 . ?
C7 C8 1.388(4) . ?
C7 H7A 0.9500 . ?
C12 C13 1.488(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C14 C15 1.387(4) . ?
C14 C19 1.400(4) . ?
C15 C16 1.380(4) . ?
C15 H15A 0.9500 . ?
C16 C17 1.404(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.361(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.391(4) . ?
C18 H18A 0.9500 . ?
C20 C21' 1.503(10) . ?
C20 C21 1.566(6) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C23 C24 1.482(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C25 C26 1.391(4) . ?
C25 C30 1.396(4) . ?
C26 C27 1.379(4) . ?
C26 H26A 0.9500 . ?
C27 C28 1.414(5) . ?
C27 H27A 0.9500 . ?
C28 C29 1.399(5) . ?
C28 H28A 0.9500 . ?
C29 C30 1.358(4) . ?
C29 H29A 0.9500 . ?
C31 C32 1.469(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.426(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 O1 1.254(3) . ?
C34 C39 1.428(4) . ?
C34 C35 1.440(4) . ?
C35 C36 1.383(4) . ?
C36 C37 1.363(5) . ?
C36 H36A 0.9500 . ?
C37 C38 1.377(4) . ?
C38 C39 1.361(4) . ?
C38 H38A 0.9500 . ?
C46 O15 1.258(3) . ?
C46 C47 1.434(3) . ?
C46 C51 1.437(3) . ?
C47 C48 1.374(4) . ?
C48 C49 1.380(4) . ?
C48 H48A 0.9500 . ?
C49 C50 1.388(4) . ?
C50 C51 1.357(4) . ?
C50 H50A 0.9500 . ?
O8 C40 1.254(3) . ?
C40 C45 1.427(4) . ?
C40 C41 1.434(4) . ?
C41 C42 1.363(6) . ?
C41 C42' 1.481(7) . ?
C45 C44' 1.434(7) . ?
C45 C44 1.437(6) . ?
C45 N13 1.459(4) . ?
N13 O14 1.184(5) . ?
N13 O13' 1.200(7) . ?
N13 O13 1.242(6) . ?
N13 O14' 1.287(10) . ?
C42 C43 1.401(9) . ?
C42 H42A 0.9500 . ?
C43 C44 1.363(9) . ?
C43 N12 1.462(8) . ?
C44 H44A 0.9500 . ?
N12 O11 1.208(8) . ?
N12 O12 1.229(9) . ?
C42' C43' 1.344(9) . ?
C42' H42' 0.9500 . ?
C43' C44' 1.386(9) . ?
C43' N12' 1.449(9) . ?
C44' H44B 0.9500 . ?
N12' O12' 1.210(10) . ?
N12' O11' 1.232(9) . ?
N17 C52 1.174(9) . ?
C52 C53 1.451(8) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
N18 C54 1.038(12) . ?
C54 C55 1.360(11) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C9 C10 1.533(8) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.438(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C9' C10' 1.458(10) . ?
C9' H9'A 0.9900 . ?
C9' H9'B 0.9900 . ?
C10' C11' 1.511(11) . ?
C10' H10C 0.9900 . ?
C10' H10D 0.9900 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C21 C22 1.546(9) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21' C22' 1.332(14) . ?
C21' H21C 0.9900 . ?
C21' H21D 0.9900 . ?
C22' H22D 0.9800 . ?
C22' H22E 0.9800 . ?
C22' H22F 0.9800 . ?
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
O15 Eu1 N1 C23 91.02(16) . . . . ?
O1 Eu1 N1 C23 -26.47(18) . . . . ?
O8 Eu1 N1 C23 -145.42(14) . . . . ?
N2 Eu1 N1 C23 -158.76(17) . . . . ?
N6 Eu1 N1 C23 -34.16(14) . . . . ?
N4 Eu1 N1 C23 81.04(15) . . . . ?
O9 Eu1 N1 C23 -94.59(15) . . . . ?
O16 Eu1 N1 C23 142.43(15) . . . . ?
O2 Eu1 N1 C23 23.72(15) . . . . ?
O15 Eu1 N1 C12 -29.90(18) . . . . ?
O1 Eu1 N1 C12 -147.39(14) . . . . ?
O8 Eu1 N1 C12 93.66(16) . . . . ?
N2 Eu1 N1 C12 80.32(15) . . . . ?
N6 Eu1 N1 C12 -155.08(16) . . . . ?
N4 Eu1 N1 C12 -39.88(14) . . . . ?
O9 Eu1 N1 C12 144.49(15) . . . . ?
O16 Eu1 N1 C12 21.51(15) . . . . ?
O2 Eu1 N1 C12 -97.19(15) . . . . ?
O15 Eu1 N1 C1 -149.48(15) . . . . ?
O1 Eu1 N1 C1 93.02(17) . . . . ?
O8 Eu1 N1 C1 -25.93(19) . . . . ?
N2 Eu1 N1 C1 -39.26(15) . . . . ?
N6 Eu1 N1 C1 85.33(16) . . . . ?
N4 Eu1 N1 C1 -159.47(18) . . . . ?
O9 Eu1 N1 C1 24.90(16) . . . . ?
O16 Eu1 N1 C1 -98.08(16) . . . . ?
O2 Eu1 N1 C1 143.22(16) . . . . ?
O15 Eu1 N2 C2 155.68(17) . . . . ?
O1 Eu1 N2 C2 -99.1(2) . . . . ?
O8 Eu1 N2 C2 -141.2(2) . . . . ?
N6 Eu1 N2 C2 -19.2(2) . . . . ?
N4 Eu1 N2 C2 78.30(19) . . . . ?
O9 Eu1 N2 C2 -70.92(19) . . . . ?
O16 Eu1 N2 C2 133.9(2) . . . . ?
N1 Eu1 N2 C2 28.86(18) . . . . ?
O2 Eu1 N2 C2 34.2(3) . . . . ?
O15 Eu1 N2 C3 -40.2(2) . . . . ?
O1 Eu1 N2 C3 64.9(3) . . . . ?
O8 Eu1 N2 C3 22.9(2) . . . . ?
N6 Eu1 N2 C3 144.9(2) . . . . ?
N4 Eu1 N2 C3 -117.6(2) . . . . ?
O9 Eu1 N2 C3 93.2(2) . . . . ?
O16 Eu1 N2 C3 -62.0(2) . . . . ?
N1 Eu1 N2 C3 -167.1(2) . . . . ?
O2 Eu1 N2 C3 -161.69(19) . . . . ?
O15 Eu1 N4 C13 -139.5(2) . . . . ?
O1 Eu1 N4 C13 161.09(18) . . . . ?
O8 Eu1 N4 C13 -91.3(2) . . . . ?
N2 Eu1 N4 C13 -16.9(2) . . . . ?
N6 Eu1 N4 C13 86.5(2) . . . . ?
O9 Eu1 N4 C13 41.1(3) . . . . ?
O16 Eu1 N4 C13 -70.79(19) . . . . ?
N1 Eu1 N4 C13 33.16(18) . . . . ?
O2 Eu1 N4 C13 141.8(2) . . . . ?
O15 Eu1 N4 C14 7.3(2) . . . . ?
O1 Eu1 N4 C14 -52.1(2) . . . . ?
O8 Eu1 N4 C14 55.5(2) . . . . ?
N2 Eu1 N4 C14 129.9(2) . . . . ?
N6 Eu1 N4 C14 -126.7(2) . . . . ?
O9 Eu1 N4 C14 -172.05(18) . . . . ?
O16 Eu1 N4 C14 76.0(2) . . . . ?
N1 Eu1 N4 C14 180.0(2) . . . . ?
O2 Eu1 N4 C14 -71.4(2) . . . . ?
O15 Eu1 N6 C24 -100.91(18) . . . . ?
O1 Eu1 N6 C24 -148.96(18) . . . . ?
O8 Eu1 N6 C24 151.59(16) . . . . ?
N2 Eu1 N6 C24 73.20(18) . . . . ?
N4 Eu1 N6 C24 -26.75(18) . . . . ?
O9 Eu1 N6 C24 127.04(19) . . . . ?
O16 Eu1 N6 C24 18.5(2) . . . . ?
N1 Eu1 N6 C24 25.47(16) . . . . ?
O2 Eu1 N6 C24 -82.05(17) . . . . ?
O15 Eu1 N6 C25 60.6(2) . . . . ?
O1 Eu1 N6 C25 12.5(2) . . . . ?
O8 Eu1 N6 C25 -46.9(2) . . . . ?
N2 Eu1 N6 C25 -125.3(2) . . . . ?
N4 Eu1 N6 C25 134.7(2) . . . . ?
O9 Eu1 N6 C25 -71.5(2) . . . . ?
O16 Eu1 N6 C25 -179.98(18) . . . . ?
N1 Eu1 N6 C25 -173.0(2) . . . . ?
O2 Eu1 N6 C25 79.4(2) . . . . ?
C23 N1 C1 C2 166.6(2) . . . . ?
C12 N1 C1 C2 -71.9(3) . . . . ?
Eu1 N1 C1 C2 47.4(2) . . . . ?
C3 N2 C2 N3 -0.9(3) . . . . ?
Eu1 N2 C2 N3 167.59(18) . . . . ?
C3 N2 C2 C1 177.1(2) . . . . ?
Eu1 N2 C2 C1 -14.4(3) . . . . ?
C8 N3 C2 N2 1.7(3) . . . . ?
C9 N3 C2 N2 -162.2(3) . . . . ?
C9' N3 C2 N2 156.9(4) . . . . ?
C8 N3 C2 C1 -176.2(3) . . . . ?
C9 N3 C2 C1 19.9(5) . . . . ?
C9' N3 C2 C1 -21.0(5) . . . . ?
N1 C1 C2 N2 -25.2(4) . . . . ?
N1 C1 C2 N3 152.5(3) . . . . ?
C2 N2 C3 C8 -0.3(3) . . . . ?
Eu1 N2 C3 C8 -165.78(19) . . . . ?
C2 N2 C3 C4 -177.1(3) . . . . ?
Eu1 N2 C3 C4 17.5(4) . . . . ?
C8 C3 C4 C5 -1.7(4) . . . . ?
N2 C3 C4 C5 174.7(3) . . . . ?
C3 C4 C5 C6 1.3(4) . . . . ?
C4 C5 C6 C7 0.1(5) . . . . ?
C5 C6 C7 C8 -0.9(5) . . . . ?
N2 C3 C8 N3 1.3(3) . . . . ?
C4 C3 C8 N3 178.4(2) . . . . ?
N2 C3 C8 C7 -176.2(3) . . . . ?
C4 C3 C8 C7 0.9(4) . . . . ?
C2 N3 C8 C3 -1.8(3) . . . . ?
C9 N3 C8 C3 161.1(3) . . . . ?
C9' N3 C8 C3 -159.5(3) . . . . ?
C2 N3 C8 C7 175.4(3) . . . . ?
C9 N3 C8 C7 -21.7(6) . . . . ?
C9' N3 C8 C7 17.7(6) . . . . ?
C6 C7 C8 C3 0.4(5) . . . . ?
C6 C7 C8 N3 -176.4(3) . . . . ?
C23 N1 C12 C13 -76.6(3) . . . . ?
C1 N1 C12 C13 162.0(2) . . . . ?
Eu1 N1 C12 C13 43.9(2) . . . . ?
C14 N4 C13 N5 0.1(3) . . . . ?
Eu1 N4 C13 N5 155.02(18) . . . . ?
C14 N4 C13 C12 -178.5(2) . . . . ?
Eu1 N4 C13 C12 -23.5(3) . . . . ?
C19 N5 C13 N4 -1.4(3) . . . . ?
C20 N5 C13 N4 -177.6(3) . . . . ?
C19 N5 C13 C12 177.1(3) . . . . ?
C20 N5 C13 C12 0.9(4) . . . . ?
N1 C12 C13 N4 -16.1(4) . . . . ?
N1 C12 C13 N5 165.4(2) . . . . ?
C13 N4 C14 C15 -179.5(3) . . . . ?
Eu1 N4 C14 C15 30.8(4) . . . . ?
C13 N4 C14 C19 1.3(3) . . . . ?
Eu1 N4 C14 C19 -148.38(19) . . . . ?
C19 C14 C15 C16 0.7(4) . . . . ?
N4 C14 C15 C16 -178.4(3) . . . . ?
C14 C15 C16 C17 0.5(4) . . . . ?
C15 C16 C17 C18 -2.3(5) . . . . ?
C16 C17 C18 C19 2.7(5) . . . . ?
C13 N5 C19 C18 -179.3(3) . . . . ?
C20 N5 C19 C18 -3.0(5) . . . . ?
C13 N5 C19 C14 2.1(3) . . . . ?
C20 N5 C19 C14 178.4(3) . . . . ?
C17 C18 C19 N5 -179.9(3) . . . . ?
C17 C18 C19 C14 -1.5(4) . . . . ?
C15 C14 C19 N5 178.6(2) . . . . ?
N4 C14 C19 N5 -2.1(3) . . . . ?
C15 C14 C19 C18 -0.2(4) . . . . ?
N4 C14 C19 C18 179.1(3) . . . . ?
C13 N5 C20 C21' 111.7(5) . . . . ?
C19 N5 C20 C21' -63.9(5) . . . . ?
C13 N5 C20 C21 77.4(4) . . . . ?
C19 N5 C20 C21 -98.2(4) . . . . ?
C12 N1 C23 C24 161.9(2) . . . . ?
C1 N1 C23 C24 -76.6(3) . . . . ?
Eu1 N1 C23 C24 41.4(2) . . . . ?
C25 N6 C24 N7 -1.1(3) . . . . ?
Eu1 N6 C24 N7 165.39(15) . . . . ?
C25 N6 C24 C23 -179.9(2) . . . . ?
Eu1 N6 C24 C23 -13.4(3) . . . . ?
C30 N7 C24 N6 1.3(3) . . . . ?
C31 N7 C24 N6 -179.4(2) . . . . ?
C30 N7 C24 C23 -179.9(2) . . . . ?
C31 N7 C24 C23 -0.6(4) . . . . ?
N1 C23 C24 N6 -21.4(3) . . . . ?
N1 C23 C24 N7 159.9(2) . . . . ?
C24 N6 C25 C26 -175.7(3) . . . . ?
Eu1 N6 C25 C26 20.9(4) . . . . ?
C24 N6 C25 C30 0.5(3) . . . . ?
Eu1 N6 C25 C30 -162.92(17) . . . . ?
C30 C25 C26 C27 1.1(4) . . . . ?
N6 C25 C26 C27 177.0(3) . . . . ?
C25 C26 C27 C28 -0.1(4) . . . . ?
C26 C27 C28 C29 -1.3(5) . . . . ?
C27 C28 C29 C30 1.7(5) . . . . ?
C28 C29 C30 C25 -0.7(4) . . . . ?
C28 C29 C30 N7 -177.8(3) . . . . ?
C26 C25 C30 C29 -0.7(4) . . . . ?
N6 C25 C30 C29 -177.4(3) . . . . ?
C26 C25 C30 N7 176.9(2) . . . . ?
N6 C25 C30 N7 0.3(3) . . . . ?
C24 N7 C30 C29 176.6(3) . . . . ?
C31 N7 C30 C29 -2.8(4) . . . . ?
C24 N7 C30 C25 -0.9(3) . . . . ?
C31 N7 C30 C25 179.7(2) . . . . ?
C24 N7 C31 C32 83.0(4) . . . . ?
C30 N7 C31 C32 -97.8(4) . . . . ?
N7 C31 C32 C33 52.2(5) . . . . ?
O1 C34 C35 C36 -179.9(3) . . . . ?
C39 C34 C35 C36 -1.2(4) . . . . ?
O1 C34 C35 N8 1.9(4) . . . . ?
C39 C34 C35 N8 -179.4(3) . . . . ?
O2 N8 C35 C36 -156.9(3) . . . . ?
O3 N8 C35 C36 23.2(4) . . . . ?
O2 N8 C35 C34 21.4(4) . . . . ?
O3 N8 C35 C34 -158.5(3) . . . . ?
C34 C35 C36 C37 -2.9(5) . . . . ?
N8 C35 C36 C37 175.4(3) . . . . ?
C35 C36 C37 C38 3.5(5) . . . . ?
C35 C36 C37 N9 -175.8(3) . . . . ?
O4 N9 C37 C36 -11.2(5) . . . . ?
O5 N9 C37 C36 168.5(3) . . . . ?
O4 N9 C37 C38 169.6(3) . . . . ?
O5 N9 C37 C38 -10.8(4) . . . . ?
C36 C37 C38 C39 0.2(5) . . . . ?
N9 C37 C38 C39 179.5(3) . . . . ?
C37 C38 C39 C34 -4.9(5) . . . . ?
C37 C38 C39 N10 175.6(3) . . . . ?
O1 C34 C39 C38 -176.1(3) . . . . ?
C35 C34 C39 C38 5.2(4) . . . . ?
O1 C34 C39 N10 3.4(4) . . . . ?
C35 C34 C39 N10 -175.3(3) . . . . ?
O7 N10 C39 C38 -135.9(3) . . . . ?
O6 N10 C39 C38 39.5(4) . . . . ?
O7 N10 C39 C34 44.5(4) . . . . ?
O6 N10 C39 C34 -140.0(3) . . . . ?
O15 C46 C47 C48 176.6(2) . . . . ?
C51 C46 C47 C48 -4.5(3) . . . . ?
O15 C46 C47 N15 -5.1(4) . . . . ?
C51 C46 C47 N15 173.7(2) . . . . ?
O17 N15 C47 C48 26.8(3) . . . . ?
O16 N15 C47 C48 -151.6(2) . . . . ?
O17 N15 C47 C46 -151.6(2) . . . . ?
O16 N15 C47 C46 30.0(3) . . . . ?
C46 C47 C48 C49 0.1(4) . . . . ?
N15 C47 C48 C49 -178.2(2) . . . . ?
C47 C48 C49 C50 2.8(4) . . . . ?
C47 C48 C49 N16 -177.4(2) . . . . ?
O19 N16 C49 C48 -169.0(2) . . . . ?
O18 N16 C49 C48 10.5(4) . . . . ?
O19 N16 C49 C50 10.9(4) . . . . ?
O18 N16 C49 C50 -169.7(2) . . . . ?
C48 C49 C50 C51 -0.6(4) . . . . ?
N16 C49 C50 C51 179.6(2) . . . . ?
C49 C50 C51 C46 -4.8(4) . . . . ?
C49 C50 C51 N14 178.2(2) . . . . ?
O15 C46 C51 C50 -174.0(2) . . . . ?
C47 C46 C51 C50 7.0(4) . . . . ?
O15 C46 C51 N14 3.0(3) . . . . ?
C47 C46 C51 N14 -176.0(2) . . . . ?
O20 N14 C51 C50 42.5(3) . . . . ?
O21 N14 C51 C50 -135.6(2) . . . . ?
O20 N14 C51 C46 -134.7(2) . . . . ?
O21 N14 C51 C46 47.1(3) . . . . ?
C39 C34 O1 Eu1 142.3(3) . . . . ?
C35 C34 O1 Eu1 -39.2(5) . . . . ?
O15 Eu1 O1 C34 -47.3(3) . . . . ?
O8 Eu1 O1 C34 -129.0(4) . . . . ?
N2 Eu1 O1 C34 -170.6(3) . . . . ?
N6 Eu1 O1 C34 98.7(3) . . . . ?
N4 Eu1 O1 C34 12.4(4) . . . . ?
O9 Eu1 O1 C34 163.2(4) . . . . ?
O16 Eu1 O1 C34 -72.7(4) . . . . ?
N1 Eu1 O1 C34 91.7(3) . . . . ?
O2 Eu1 O1 C34 31.7(3) . . . . ?
O3 N8 O2 Eu1 159.0(2) . . . . ?
C35 N8 O2 Eu1 -20.9(4) . . . . ?
O15 Eu1 O2 N8 82.2(3) . . . . ?
O1 Eu1 O2 N8 1.8(3) . . . . ?
O8 Eu1 O2 N8 28.1(3) . . . . ?
N2 Eu1 O2 N8 -145.8(3) . . . . ?
N6 Eu1 O2 N8 -83.7(3) . . . . ?
N4 Eu1 O2 N8 163.5(3) . . . . ?
O9 Eu1 O2 N8 -54.4(3) . . . . ?
O16 Eu1 O2 N8 129.7(3) . . . . ?
N1 Eu1 O2 N8 -141.1(3) . . . . ?
O15 Eu1 O8 C40 -137.5(3) . . . . ?
O1 Eu1 O8 C40 -61.1(3) . . . . ?
N2 Eu1 O8 C40 91.9(3) . . . . ?
N6 Eu1 O8 C40 -2.2(3) . . . . ?
N4 Eu1 O8 C40 175.2(3) . . . . ?
O9 Eu1 O8 C40 21.6(3) . . . . ?
O16 Eu1 O8 C40 156.3(3) . . . . ?
N1 Eu1 O8 C40 79.7(3) . . . . ?
O2 Eu1 O8 C40 -85.1(3) . . . . ?
O10 N11 O9 Eu1 137.8(2) . . . . ?
C41 N11 O9 Eu1 -45.0(4) . . . . ?
O15 Eu1 O9 N11 52.0(3) . . . . ?
O1 Eu1 O9 N11 99.6(2) . . . . ?
O8 Eu1 O9 N11 20.2(2) . . . . ?
N2 Eu1 O9 N11 -61.9(2) . . . . ?
N6 Eu1 O9 N11 178.0(2) . . . . ?
N4 Eu1 O9 N11 -128.9(2) . . . . ?
O16 Eu1 O9 N11 -35.7(2) . . . . ?
N1 Eu1 O9 N11 -122.0(2) . . . . ?
O2 Eu1 O9 N11 148.6(2) . . . . ?
C47 C46 O15 Eu1 -33.2(4) . . . . ?
C51 C46 O15 Eu1 148.02(19) . . . . ?
O1 Eu1 O15 C46 -131.3(3) . . . . ?
O8 Eu1 O15 C46 -53.4(3) . . . . ?
N2 Eu1 O15 C46 7.5(3) . . . . ?
N6 Eu1 O15 C46 -179.4(2) . . . . ?
N4 Eu1 O15 C46 97.8(3) . . . . ?
O9 Eu1 O15 C46 -82.8(3) . . . . ?
O16 Eu1 O15 C46 28.9(3) . . . . ?
N1 Eu1 O15 C46 88.8(3) . . . . ?
O2 Eu1 O15 C46 163.2(3) . . . . ?
O17 N15 O16 Eu1 153.99(19) . . . . ?
C47 N15 O16 Eu1 -27.7(4) . . . . ?
O15 Eu1 O16 N15 3.9(2) . . . . ?
O1 Eu1 O16 N15 31.0(3) . . . . ?
O8 Eu1 O16 N15 86.3(2) . . . . ?
N2 Eu1 O16 N15 163.9(3) . . . . ?
N6 Eu1 O16 N15 -132.0(2) . . . . ?
N4 Eu1 O16 N15 -80.6(2) . . . . ?
O9 Eu1 O16 N15 136.8(2) . . . . ?
N1 Eu1 O16 N15 -138.1(2) . . . . ?
O2 Eu1 O16 N15 -47.5(3) . . . . ?
Eu1 O8 C40 C45 148.3(2) . . . . ?
Eu1 O8 C40 C41 -33.7(4) . . . . ?
O9 N11 C41 C42 -159.7(3) . . . . ?
O10 N11 C41 C42 17.5(5) . . . . ?
O9 N11 C41 C40 32.8(4) . . . . ?
O10 N11 C41 C40 -150.1(3) . . . . ?
O9 N11 C41 C42' -130.9(4) . . . . ?
O10 N11 C41 C42' 46.2(5) . . . . ?
O8 C40 C41 C42 -162.7(4) . . . . ?
C45 C40 C41 C42 15.6(5) . . . . ?
O8 C40 C41 N11 2.3(4) . . . . ?
C45 C40 C41 N11 -179.5(3) . . . . ?
O8 C40 C41 C42' 166.4(4) . . . . ?
C45 C40 C41 C42' -15.4(5) . . . . ?
O8 C40 C45 C44' -160.3(4) . . . . ?
C41 C40 C45 C44' 21.5(5) . . . . ?
O8 C40 C45 C44 162.4(4) . . . . ?
C41 C40 C45 C44 -15.8(5) . . . . ?
O8 C40 C45 N13 -2.7(5) . . . . ?
C41 C40 C45 N13 179.0(3) . . . . ?
C40 C45 N13 O14 -29.9(5) . . . . ?
C44' C45 N13 O14 131.3(4) . . . . ?
C44 C45 N13 O14 165.2(4) . . . . ?
C40 C45 N13 O13' -169.7(5) . . . . ?
C44' C45 N13 O13' -8.5(6) . . . . ?
C44 C45 N13 O13' 25.4(7) . . . . ?
C40 C45 N13 O13 158.3(4) . . . . ?
C44' C45 N13 O13 -40.5(5) . . . . ?
C44 C45 N13 O13 -6.6(6) . . . . ?
C40 C45 N13 O14' 30.3(6) . . . . ?
C44' C45 N13 O14' -168.5(5) . . . . ?
C44 C45 N13 O14' -134.6(6) . . . . ?
N11 C41 C42 C43 -179.2(4) . . . . ?
C40 C41 C42 C43 -13.1(7) . . . . ?
C42' C41 C42 C43 63.4(8) . . . . ?
C41 C42 C43 C44 11.4(8) . . . . ?
C41 C42 C43 N12 -171.0(5) . . . . ?
C42 C43 C44 C45 -14.3(9) . . . . ?
N12 C43 C44 C45 168.1(5) . . . . ?
C40 C45 C44 C43 16.9(7) . . . . ?
C44' C45 C44 C43 -99.0(9) . . . . ?
N13 C45 C44 C43 -177.8(5) . . . . ?
C44 C43 N12 O11 -173.3(6) . . . . ?
C42 C43 N12 O11 9.1(9) . . . . ?
C44 C43 N12 O12 -2.7(9) . . . . ?
C42 C43 N12 O12 179.7(6) . . . . ?
C42 C41 C42' C43' -114.2(11) . . . . ?
N11 C41 C42' C43' 170.7(5) . . . . ?
C40 C41 C42' C43' 6.6(7) . . . . ?
C41 C42' C43' C44' -0.4(9) . . . . ?
C41 C42' C43' N12' 179.7(5) . . . . ?
C42' C43' C44' C45 4.1(8) . . . . ?
N12' C43' C44' C45 -176.0(5) . . . . ?
C40 C45 C44' C43' -16.0(7) . . . . ?
C44 C45 C44' C43' 68.9(8) . . . . ?
N13 C45 C44' C43' -175.6(4) . . . . ?
C42' C43' N12' O12' -177.8(7) . . . . ?
C44' C43' N12' O12' 2.3(10) . . . . ?
C42' C43' N12' O11' -1.7(10) . . . . ?
C44' C43' N12' O11' 178.5(6) . . . . ?
C2 N3 C9 C10 -113.3(4) . . . . ?
C8 N3 C9 C10 86.3(5) . . . . ?
C9' N3 C9 C10 -1.8(5) . . . . ?
N3 C9 C10 C11 69.5(6) . . . . ?
C2 N3 C9' C10' 120.5(5) . . . . ?
C8 N3 C9' C10' -87.0(6) . . . . ?
C9 N3 C9' C10' 27.5(5) . . . . ?
N3 C9' C10' C11' 174.7(6) . . . . ?
N5 C20 C21 C22 73.7(5) . . . . ?
C21' C20 C21 C22 -25.7(8) . . . . ?
N5 C20 C21' C22' -80.5(9) . . . . ?
C21 C20 C21' C22' 13.3(8) . . . . ?
