#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/69/7116959.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_7116959
loop_
_publ_author_name
'Das, Chinmoy'
'Upadhyay, Apoorva'
'Vaidya, Shefali'
'Singh, Saurabh Kumar'
'Rajaraman, Gopalan'
'Shanmugam, Maheswaran'
_publ_section_title
;
 Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex:
 a combined experimental and theoretical study
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   28
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              6137
_journal_page_last               6140
_journal_paper_doi               10.1039/c4cc09523e
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C28 H26 Lu N5 O13'
_chemical_formula_weight         815.51
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-02-06 deposited with the CCDC.
2015-02-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   17.439(3)
_cell_length_b                   54.451(11)
_cell_length_c                   9.5702(19)
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.12
_cell_measurement_theta_min      3.07
_cell_volume                     9088(3)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)
;
_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      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       73
_diffrn_reflns_limit_k_min       -74
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            55796
_diffrn_reflns_theta_full        29.12
_diffrn_reflns_theta_max         29.12
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    3.335
_exptl_absorpt_correction_T_max  0.5551
_exptl_absorpt_correction_T_min  0.5551
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'Orange red'
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4848
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.185
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.011(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         12162
_refine_ls_number_restraints     211
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0446
_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)+(0.0141P)²+38.6801P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                10958
_reflns_number_total             12162
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7116869
_cod_data_source_file            c4cc09523e2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      Aba2
_cod_database_code               7116959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
'-x, -y, z'
'x, y+1/2, z+1/2'
'-x+1/2, y+1, z+1/2'
'x+1/2, -y+1, z+1/2'
'-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
Lu2 Lu 0.5000 0.0000 0.24073(14) 0.01896(6) Uani 1 2 d S . .
N161 N 0.5073(3) -0.05066(9) 0.1563(8) 0.0460(15) Uani 1 1 d . . .
O162 O 0.5120(3) -0.07101(9) 0.1035(8) 0.091(3) Uani 1 1 d . . .
O161 O 0.4470(2) -0.04300(7) 0.2123(5) 0.0387(11) Uani 1 1 d . . .
N151 N 0.5000 0.0000 -0.0543(10) 0.0352(18) Uani 1 2 d S . .
O151 O 0.5543(2) 0.00910(8) 0.0119(5) 0.0369(9) Uani 1 1 d . . .
O152 O 0.5000 0.0000 -0.1877(7) 0.068(2) Uani 1 2 d S . .
O171 O 0.4362(2) 0.03565(7) 0.1541(5) 0.0358(9) Uani 1 1 d . . .
C111 C 0.7221(3) -0.00460(8) 0.4811(5) 0.0216(10) Uani 1 1 d . . .
C112 C 0.7496(3) -0.01860(9) 0.5954(5) 0.0262(12) Uani 1 1 d . . .
H11B H 0.8015 -0.0169 0.6240 0.031 Uiso 1 1 calc R . .
C113 C 0.7030(3) -0.03431(9) 0.6641(6) 0.0291(12) Uani 1 1 d . . .
H11C H 0.7223 -0.0432 0.7420 0.035 Uiso 1 1 calc R . .
C114 C 0.6263(3) -0.03766(9) 0.6220(6) 0.0292(12) Uani 1 1 d . . .
H11D H 0.5939 -0.0488 0.6705 0.035 Uiso 1 1 calc R . .
C115 C 0.5989(3) -0.02462(9) 0.5097(5) 0.0241(10) Uani 1 1 d . . .
C116 C 0.6458(2) -0.00799(8) 0.4361(5) 0.0189(9) Uani 1 1 d . . .
C117 C 0.7691(2) 0.01368(8) 0.4198(5) 0.0206(10) Uani 1 1 d . . .
H11E H 0.8208 0.0150 0.4498 0.025 Uiso 1 1 calc R . .
C118 C 0.7844(3) 0.04896(8) 0.2637(5) 0.0210(10) Uani 1 1 d . . .
C119 C 0.7495(3) 0.06042(8) 0.1505(5) 0.0251(10) Uani 1 1 d . . .
H11F H 0.7010 0.0549 0.1181 0.030 Uiso 1 1 calc R . .
C120 C 0.7855(3) 0.07990(9) 0.0852(6) 0.0297(12) Uani 1 1 d . . .
H12B H 0.7622 0.0876 0.0070 0.036 Uiso 1 1 calc R . .
C121 C 0.8560(3) 0.08811(10) 0.1344(6) 0.0325(13) Uani 1 1 d . . .
H12C H 0.8814 0.1013 0.0892 0.039 Uiso 1 1 calc R . .
C122 C 0.8891(3) 0.07697(9) 0.2492(7) 0.0302(11) Uani 1 1 d . . .
H12D H 0.9366 0.0830 0.2841 0.036 Uiso 1 1 calc R . .
C123 C 0.8542(3) 0.05719(9) 0.3143(6) 0.0252(11) Uani 1 1 d . . .
H12E H 0.8777 0.0494 0.3921 0.030 Uiso 1 1 calc R . .
C124 C 0.4726(3) -0.04142(12) 0.5303(7) 0.0407(15) Uani 1 1 d . . .
H12F H 0.4991 -0.0491 0.6093 0.061 Uiso 1 1 calc R . .
H12G H 0.4529 -0.0542 0.4679 0.061 Uiso 1 1 calc R . .
H12H H 0.4299 -0.0314 0.5651 0.061 Uiso 1 1 calc R . .
N111 N 0.7446(2) 0.02873(7) 0.3244(4) 0.0210(8) Uani 1 1 d . . .
H11G H 0.6978 0.0261 0.2934 0.025 Uiso 1 1 calc R . .
O111 O 0.61696(17) 0.00425(6) 0.3288(4) 0.0188(7) Uani 1 1 d . . .
O112 O 0.52559(18) -0.02597(6) 0.4548(5) 0.0300(8) Uani 1 1 d . . .
Lu1 Lu 0.493726(11) 0.169951(7) 0.45026(13) 0.03597(8) Uani 1 1 d . A .
C11 C 0.7516(3) 0.16561(8) 0.5284(6) 0.0254(11) Uani 1 1 d . A .
C12 C 0.8186(3) 0.15492(10) 0.4749(7) 0.0324(14) Uani 1 1 d . . .
H12A H 0.8672 0.1601 0.5087 0.039 Uiso 1 1 calc R . .
C13 C 0.8146(3) 0.13729(10) 0.3755(7) 0.0344(14) Uani 1 1 d . . .
H13A H 0.8603 0.1303 0.3391 0.041 Uiso 1 1 calc R . .
C14 C 0.7430(3) 0.12935(9) 0.3261(6) 0.0310(12) Uani 1 1 d . . .
H14A H 0.7406 0.1167 0.2576 0.037 Uiso 1 1 calc R . .
C15 C 0.6762(3) 0.13959(9) 0.3758(6) 0.0247(11) Uani 1 1 d . A .
C16 C 0.6781(3) 0.15817(9) 0.4779(5) 0.0225(11) Uani 1 1 d . . .
C17 C 0.7570(3) 0.18321(9) 0.6382(7) 0.0316(13) Uani 1 1 d . . .
H17A H 0.8066 0.1879 0.6695 0.038 Uiso 1 1 calc R A .
C18 C 0.6950(4) 0.21050(9) 0.8097(6) 0.0310(12) Uani 1 1 d . . .
C19 C 0.6243(4) 0.21447(10) 0.8712(6) 0.0347(13) Uani 1 1 d . A .
H19A H 0.5804 0.2057 0.8398 0.042 Uiso 1 1 calc R . .
C20 C 0.6183(4) 0.23139(10) 0.9794(7) 0.0474(17) Uani 1 1 d . . .
H20A H 0.5698 0.2342 1.0221 0.057 Uiso 1 1 calc R A .
C21 C 0.6809(5) 0.24405(11) 1.0252(7) 0.054(2) Uani 1 1 d . A .
H21A H 0.6759 0.2557 1.0984 0.065 Uiso 1 1 calc R . .
C22 C 0.7515(5) 0.23988(11) 0.9650(7) 0.0536(19) Uani 1 1 d . . .
H22A H 0.7952 0.2485 0.9985 0.064 Uiso 1 1 calc R A .
C23 C 0.7598(4) 0.22302(10) 0.8549(6) 0.0417(16) Uani 1 1 d . A .
H23A H 0.8083 0.2203 0.8125 0.050 Uiso 1 1 calc R . .
C24 C 0.5947(4) 0.11235(10) 0.2457(7) 0.0426(14) Uani 1 1 d . A .
H24A H 0.5402 0.1099 0.2250 0.064 Uiso 1 1 calc R . .
H24B H 0.6151 0.0977 0.2921 0.064 Uiso 1 1 calc R . .
H24C H 0.6228 0.1152 0.1585 0.064 Uiso 1 1 calc R . .
O11 O 0.61491(18) 0.16809(7) 0.5235(4) 0.0293(8) Uani 1 1 d . A .
O12 O 0.6037(2) 0.13330(7) 0.3362(5) 0.0357(9) Uani 1 1 d . . .
N11 N 0.6979(2) 0.19313(8) 0.6977(5) 0.0274(10) Uani 1 1 d . A .
H11A H 0.6531 0.1885 0.6644 0.033 Uiso 1 1 calc R . .
C31 C 0.2343(2) 0.16812(8) 0.4753(5) 0.0192(10) Uani 1 1 d . A .
C32 C 0.1723(3) 0.17891(9) 0.4044(6) 0.0268(11) Uani 1 1 d . . .
H32A H 0.1214 0.1739 0.4258 0.032 Uiso 1 1 calc R . .
C33 C 0.1841(3) 0.19652(10) 0.3051(6) 0.0294(12) Uani 1 1 d . . .
H33A H 0.1418 0.2037 0.2576 0.035 Uiso 1 1 calc R . .
C34 C 0.2597(3) 0.20403(9) 0.2735(6) 0.0289(11) Uani 1 1 d . . .
H34A H 0.2681 0.2162 0.2043 0.035 Uiso 1 1 calc R . .
C35 C 0.3207(3) 0.19387(8) 0.3417(5) 0.0209(10) Uani 1 1 d . A .
C36 C 0.3107(2) 0.17544(7) 0.4444(6) 0.0169(8) Uani 1 1 d . . .
C37 C 0.2201(3) 0.14954(9) 0.5774(6) 0.0214(10) Uani 1 1 d . . .
H37A H 0.1685 0.1449 0.5955 0.026 Uiso 1 1 calc R A .
C38 C 0.2679(3) 0.11973(8) 0.7510(6) 0.0305(12) Uani 1 1 d . . .
C39 C 0.3349(4) 0.11196(13) 0.8091(8) 0.057(2) Uani 1 1 d . A .
H39A H 0.3823 0.1189 0.7807 0.068 Uiso 1 1 calc R . .
C40 C 0.3328(5) 0.09358(13) 0.9111(9) 0.068(2) Uani 1 1 d . . .
H40A H 0.3790 0.0879 0.9529 0.082 Uiso 1 1 calc R A .
C41 C 0.2637(5) 0.08382(10) 0.9503(8) 0.0531(19) Uani 1 1 d . A .
H41A H 0.2619 0.0713 1.0194 0.064 Uiso 1 1 calc R . .
C42 C 0.1979(5) 0.09192(13) 0.8912(7) 0.0535(19) Uani 1 1 d . . .
H42A H 0.1504 0.0850 0.9198 0.064 Uiso 1 1 calc R A .
C43 C 0.1980(4) 0.11005(10) 0.7900(7) 0.0404(15) Uani 1 1 d . A .
H43A H 0.1516 0.1156 0.7488 0.049 Uiso 1 1 calc R . .
C44 C 0.4122(3) 0.21844(9) 0.2186(6) 0.0353(13) Uani 1 1 d . A .
H44A H 0.3640 0.2261 0.1893 0.053 Uiso 1 1 calc R . .
H44B H 0.4378 0.2112 0.1370 0.053 Uiso 1 1 calc R . .
H44C H 0.4456 0.2309 0.2607 0.053 Uiso 1 1 calc R . .
O31 O 0.37031(18) 0.16586(6) 0.5069(4) 0.0213(7) Uani 1 1 d . A .
O32 O 0.3964(2) 0.19938(6) 0.3198(4) 0.0301(8) Uani 1 1 d . . .
N31 N 0.2743(2) 0.13868(7) 0.6466(5) 0.0256(9) Uani 1 1 d . A .
H31A H 0.3212 0.1435 0.6272 0.031 Uiso 1 1 calc R . .
N61 N 0.4896(4) 0.15666(15) 0.1740(9) 0.020(2) Uani 0.391(13) 1 d PDU A 1
O61 O 0.4506(6) 0.14753(19) 0.2714(10) 0.023(2) Uani 0.391(13) 1 d PDU A 1
O62 O 0.5329(7) 0.1746(2) 0.2044(13) 0.025(3) Uani 0.391(13) 1 d PDU A 1
O63 O 0.4872(5) 0.14891(18) 0.0521(8) 0.026(3) Uani 0.391(13) 1 d PDU A 1
N61A N 0.5015(4) 0.16802(17) 0.1595(9) 0.048(3) Uani 0.609(13) 1 d PDU A 2
O61A O 0.4534(4) 0.15438(15) 0.2233(8) 0.040(2) Uani 0.609(13) 1 d PDU A 2
O62A O 0.5474(4) 0.17990(17) 0.2355(8) 0.039(2) Uani 0.609(13) 1 d PDU A 2
O63A O 0.5021(4) 0.1693(3) 0.0309(6) 0.075(4) Uani 0.609(13) 1 d PDU A 2
N51 N 0.5344(3) 0.22202(14) 0.5010(8) 0.049(3) Uani 0.542(9) 1 d PDU A 1
O51 O 0.4889(5) 0.21099(18) 0.5822(10) 0.047(3) Uani 0.542(9) 1 d PDU A 1
O52 O 0.5574(5) 0.21077(17) 0.3941(9) 0.050(2) Uani 0.542(9) 1 d PDU A 1
O53 O 0.5557(5) 0.24334(12) 0.5267(11) 0.067(3) Uani 0.542(9) 1 d PDU A 1
N51A N 0.5075(4) 0.2114(2) 0.5882(11) 0.062(4) Uani 0.458(9) 1 d PDU A 2
O51A O 0.4863(5) 0.19233(17) 0.6498(11) 0.055(4) Uani 0.458(9) 1 d PDU A 2
O53A O 0.5069(7) 0.23150(18) 0.6512(14) 0.099(6) Uani 0.458(9) 1 d PDU A 2
O52A O 0.5293(7) 0.2102(2) 0.4635(11) 0.069(4) Uani 0.458(9) 1 d PDU A 2
N71 N 0.4707(3) 0.11927(15) 0.5623(9) 0.037(2) Uani 0.467(6) 1 d PDU A 3
O71 O 0.4934(7) 0.13684(16) 0.6380(11) 0.040(3) Uani 0.467(6) 1 d PDU A 3
O73 O 0.4619(5) 0.09857(13) 0.6146(10) 0.046(3) Uani 0.467(6) 1 d PDU A 3
O72 O 0.4578(4) 0.12331(13) 0.4364(8) 0.037(2) Uani 0.467(6) 1 d PDU A 3
N71A N 0.4982(2) 0.14236(17) 0.6838(10) 0.047(3) Uani 0.533(6) 1 d PDU A 4
O73A O 0.5073(4) 0.12817(15) 0.7865(9) 0.053(3) Uani 0.533(6) 1 d PDU A 4
O71A O 0.4968(4) 0.16488(12) 0.7071(10) 0.041(3) Uani 0.533(6) 1 d PDU A 4
O72A O 0.4909(6) 0.13386(17) 0.5633(9) 0.046(3) Uani 0.533(6) 1 d PDU A 4
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'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O111 Lu2 O111 135.34(17) 4_655 .
O111 Lu2 O171 118.40(12) 4_655 4_655
O111 Lu2 O171 77.77(13) . 4_655
O111 Lu2 O171 77.77(13) 4_655 .
O111 Lu2 O171 118.41(12) . .
O171 Lu2 O171 139.3(2) 4_655 .
O111 Lu2 O151 87.87(12) 4_655 4_655
O111 Lu2 O151 136.05(12) . 4_655
O171 Lu2 O151 72.78(14) 4_655 4_655
O171 Lu2 O151 70.84(14) . 4_655
O111 Lu2 O151 136.05(12) 4_655 .
O111 Lu2 O151 87.87(12) . .
O171 Lu2 O151 70.85(14) 4_655 .
O171 Lu2 O151 72.77(14) . .
O151 Lu2 O151 52.05(19) 4_655 .
O111 Lu2 O112 78.24(11) 4_655 .
O111 Lu2 O112 65.69(11) . .
O171 Lu2 O112 75.19(15) 4_655 .
O171 Lu2 O112 144.94(14) . .
O151 Lu2 O112 133.09(14) 4_655 .
O151 Lu2 O112 140.62(12) . .
O111 Lu2 O112 65.69(11) 4_655 4_655
O111 Lu2 O112 78.24(11) . 4_655
O171 Lu2 O112 144.94(14) 4_655 4_655
O171 Lu2 O112 75.18(15) . 4_655
O151 Lu2 O112 140.62(12) 4_655 4_655
O151 Lu2 O112 133.08(14) . 4_655
O112 Lu2 O112 71.78(19) . 4_655
O111 Lu2 O161 118.22(12) 4_655 4_655
O111 Lu2 O161 66.96(11) . 4_655
O171 Lu2 O161 123.01(13) 4_655 4_655
O171 Lu2 O161 51.74(12) . 4_655
O151 Lu2 O161 103.50(14) 4_655 4_655
O151 Lu2 O161 64.76(15) . 4_655
O112 Lu2 O161 122.64(12) . 4_655
O112 Lu2 O161 68.56(14) 4_655 4_655
O111 Lu2 O161 66.96(11) 4_655 .
O111 Lu2 O161 118.22(12) . .
O171 Lu2 O161 51.73(12) 4_655 .
O171 Lu2 O161 123.00(13) . .
O151 Lu2 O161 64.76(15) 4_655 .
O151 Lu2 O161 103.50(14) . .
O112 Lu2 O161 68.56(14) . .
O112 Lu2 O161 122.65(12) 4_655 .
O161 Lu2 O161 167.7(2) 4_655 .
O111 Lu2 N151 112.33(8) 4_655 .
O111 Lu2 N151 112.33(8) . .
O171 Lu2 N151 69.67(11) 4_655 .
O171 Lu2 N151 69.67(11) . .
O151 Lu2 N151 26.02(10) 4_655 .
O151 Lu2 N151 26.02(10) . .
O112 Lu2 N151 144.11(10) . .
O112 Lu2 N151 144.11(10) 4_655 .
O161 Lu2 N151 83.84(10) 4_655 .
O161 Lu2 N151 83.84(10) . .
O111 Lu2 N161 92.71(13) 4_655 .
O111 Lu2 N161 99.56(15) . .
O171 Lu2 N161 26.08(12) 4_655 .
O171 Lu2 N161 134.67(17) . .
O151 Lu2 N161 64.54(18) 4_655 .
O151 Lu2 N161 85.72(16) . .
O112 Lu2 N161 71.56(17) . .
O112 Lu2 N161 140.47(16) 4_655 .
O161 Lu2 N161 147.17(14) 4_655 .
O161 Lu2 N161 25.77(12) . .
N151 Lu2 N161 73.69(14) . .
O162 N161 O161 122.4(5) . .
O162 N161 O171 121.4(5) . 4_655
O161 N161 O171 116.2(5) . 4_655
O162 N161 Lu2 171.7(6) . .
O161 N161 Lu2 61.5(3) . .
O171 N161 Lu2 55.0(3) 4_655 .
N161 O161 Lu2 92.7(3) . .
O151 N151 O151 118.7(9) 4_655 .
O151 N151 O152 120.7(4) 4_655 .
O151 N151 O152 120.7(4) . .
O151 N151 Lu2 59.3(4) 4_655 .
O151 N151 Lu2 59.3(4) . .
O152 N151 Lu2 180.0 . .
N151 O151 Lu2 94.6(5) . .
N161 O171 Lu2 98.9(3) 4_655 .
C116 C111 C117 120.7(4) . .
C116 C111 C112 119.0(5) . .
C117 C111 C112 120.2(4) . .
C113 C112 C111 120.9(5) . .
C113 C112 H11B 119.5 . .
C111 C112 H11B 119.5 . .
C112 C113 C114 120.9(5) . .
C112 C113 H11C 119.6 . .
C114 C113 H11C 119.6 . .
C115 C114 C113 119.1(5) . .
C115 C114 H11D 120.4 . .
C113 C114 H11D 120.4 . .
C114 C115 O112 126.2(5) . .
C114 C115 C116 121.5(5) . .
O112 C115 C116 112.3(4) . .
O111 C116 C115 119.5(4) . .
O111 C116 C111 122.0(4) . .
C115 C116 C111 118.6(4) . .
N111 C117 C111 123.1(4) . .
N111 C117 H11E 118.5 . .
C111 C117 H11E 118.5 . .
C123 C118 C119 120.8(5) . .
C123 C118 N111 122.4(5) . .
C119 C118 N111 116.8(4) . .
C120 C119 C118 119.8(5) . .
C120 C119 H11F 120.1 . .
C118 C119 H11F 120.1 . .
C119 C120 C121 119.7(5) . .
C119 C120 H12B 120.1 . .
C121 C120 H12B 120.1 . .
C122 C121 C120 119.9(5) . .
C122 C121 H12C 120.1 . .
C120 C121 H12C 120.1 . .
C121 C122 C123 121.0(5) . .
C121 C122 H12D 119.5 . .
C123 C122 H12D 119.5 . .
C118 C123 C122 118.7(5) . .
C118 C123 H12E 120.6 . .
C122 C123 H12E 120.6 . .
O112 C124 H12F 109.5 . .
O112 C124 H12G 109.5 . .
H12F C124 H12G 109.5 . .
O112 C124 H12H 109.5 . .
H12F C124 H12H 109.5 . .
H12G C124 H12H 109.5 . .
C117 N111 C118 127.9(4) . .
C117 N111 H11G 116.0 . .
C118 N111 H11G 116.0 . .
C116 O111 Lu2 126.3(3) . .
C115 O112 C124 115.6(4) . .
C115 O112 Lu2 116.1(3) . .
C124 O112 Lu2 128.2(3) . .
O11 Lu1 O31 146.50(13) . .
O11 Lu1 O72A 80.2(3) . .
O31 Lu1 O72A 76.9(3) . .
O11 Lu1 O61 122.4(3) . .
O31 Lu1 O61 78.9(3) . .
O72A Lu1 O61 83.3(3) . .
O11 Lu1 O51A 79.3(2) . .
O31 Lu1 O51A 78.1(2) . .
O72A Lu1 O51A 93.6(4) . .
O61 Lu1 O51A 156.9(3) . .
O11 Lu1 O52A 76.6(3) . .
O31 Lu1 O52A 110.2(3) . .
O72A Lu1 O52A 145.2(4) . .
O61 Lu1 O52A 131.3(4) . .
O51A Lu1 O52A 56.8(2) . .
O11 Lu1 O62A 84.7(2) . .
O31 Lu1 O62A 128.8(2) . .
O72A Lu1 O62A 129.8(3) . .
O61 Lu1 O62A 65.5(3) . .
O51A Lu1 O62A 130.0(3) . .
O52A Lu1 O62A 73.5(4) . .
O11 Lu1 O61A 122.56(18) . .
O31 Lu1 O61A 84.47(19) . .
O72A Lu1 O61A 96.8(3) . .
O61 Lu1 O61A 13.8(3) . .
O51A Lu1 O61A 157.1(3) . .
O52A Lu1 O61A 117.6(4) . .
O62A Lu1 O61A 53.70(19) . .
O11 Lu1 O62 92.4(3) . .
O31 Lu1 O62 120.7(3) . .
O72A Lu1 O62 123.9(3) . .
O61 Lu1 O62 54.4(2) . .
O51A Lu1 O62 139.8(3) . .
O52A Lu1 O62 83.0(3) . .
O62A Lu1 O62 11.1(2) . .
O61A Lu1 O62 42.6(2) . .
O11 Lu1 O71A 70.27(19) . .
O31 Lu1 O71A 76.58(19) . .
O72A Lu1 O71A 54.8(2) . .
O61 Lu1 O71A 135.1(3) . .
O51A Lu1 O71A 39.2(3) . .
O52A Lu1 O71A 92.6(3) . .
O62A Lu1 O71A 153.7(2) . .
O61A Lu1 O71A 148.6(3) . .
O62 Lu1 O71A 162.7(4) . .
O11 Lu1 O52 72.0(2) . .
O31 Lu1 O52 124.1(2) . .
O72A Lu1 O52 151.3(3) . .
O61 Lu1 O52 117.6(3) . .
O51A Lu1 O52 74.5(3) . .
O52A Lu1 O52 18.7(3) . .
O62A Lu1 O52 55.5(3) . .
O61A Lu1 O52 104.0(3) . .
O62 Lu1 O52 65.6(3) . .
O71A Lu1 O52 107.3(3) . .
O11 Lu1 O71 75.4(3) . .
O31 Lu1 O71 75.8(3) . .
O72A Lu1 O71 16.1(3) . .
O61 Lu1 O71 98.8(3) . .
O51A Lu1 O71 77.7(3) . .
O52A Lu1 O71 129.9(3) . .
O62A Lu1 O71 142.3(4) . .
O61A Lu1 O71 112.5(3) . .
O62 Lu1 O71 138.4(4) . .
O71A Lu1 O71 38.7(3) . .
O52 Lu1 O71 140.3(3) . .
C12 C11 C17 119.6(5) . .
C12 C11 C16 120.5(5) . .
C17 C11 C16 119.9(5) . .
C13 C12 C11 120.5(5) . .
C13 C12 H12A 119.7 . .
C11 C12 H12A 119.7 . .
C12 C13 C14 120.1(5) . .
C12 C13 H13A 120.0 . .
C14 C13 H13A 120.0 . .
C15 C14 C13 120.8(5) . .
C15 C14 H14A 119.6 . .
C13 C14 H14A 119.6 . .
O12 C15 C14 126.0(5) . .
O12 C15 C16 113.2(4) . .
C14 C15 C16 120.8(5) . .
O11 C16 C15 120.8(4) . .
O11 C16 C11 121.9(4) . .
C15 C16 C11 117.3(4) . .
N11 C17 C11 123.5(5) . .
N11 C17 H17A 118.2 . .
C11 C17 H17A 118.2 . .
C19 C18 C23 121.1(5) . .
C19 C18 N11 117.0(5) . .
C23 C18 N11 122.0(6) . .
C18 C19 C20 119.2(6) . .
C18 C19 H19A 120.4 . .
C20 C19 H19A 120.4 . .
C21 C20 C19 120.9(7) . .
C21 C20 H20A 119.6 . .
C19 C20 H20A 119.6 . .
C20 C21 C22 119.9(6) . .
C20 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C21 C22 C23 120.8(6) . .
C21 C22 H22A 119.6 . .
C23 C22 H22A 119.6 . .
C18 C23 C22 118.1(7) . .
C18 C23 H23A 120.9 . .
C22 C23 H23A 120.9 . .
O12 C24 H24A 109.5 . .
O12 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O12 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C16 O11 Lu1 135.7(3) . .
C15 O12 C24 117.8(4) . .
C17 N11 C18 129.3(5) . .
C17 N11 H11A 115.4 . .
C18 N11 H11A 115.4 . .
C32 C31 C36 120.3(4) . .
C32 C31 C37 119.5(4) . .
C36 C31 C37 120.2(4) . .
C33 C32 C31 120.9(5) . .
C33 C32 H32A 119.6 . .
C31 C32 H32A 119.6 . .
C32 C33 C34 119.6(5) . .
C32 C33 H33A 120.2 . .
C34 C33 H33A 120.2 . .
C35 C34 C33 120.5(5) . .
C35 C34 H34A 119.8 . .
C33 C34 H34A 119.8 . .
C34 C35 O32 126.1(5) . .
C34 C35 C36 121.5(5) . .
O32 C35 C36 112.4(4) . .
O31 C36 C35 120.2(4) . .
O31 C36 C31 122.5(4) . .
C35 C36 C31 117.3(4) . .
N31 C37 C31 123.1(4) . .
N31 C37 H37A 118.4 . .
C31 C37 H37A 118.4 . .
C39 C38 C43 121.9(6) . .
C39 C38 N31 116.0(5) . .
C43 C38 N31 122.0(5) . .
C38 C39 C40 119.1(7) . .
C38 C39 H39A 120.5 . .
C40 C39 H39A 120.5 . .
C41 C40 C39 119.4(7) . .
C41 C40 H40A 120.3 . .
C39 C40 H40A 120.3 . .
C42 C41 C40 120.3(6) . .
C42 C41 H41A 119.8 . .
C40 C41 H41A 119.8 . .
C41 C42 C43 121.6(7) . .
C41 C42 H42A 119.2 . .
C43 C42 H42A 119.2 . .
C38 C43 C42 117.7(7) . .
C38 C43 H43A 121.2 . .
C42 C43 H43A 121.2 . .
O32 C44 H44A 109.5 . .
O32 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O32 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C36 O31 Lu1 128.0(3) . .
C35 O32 C44 116.4(4) . .
C35 O32 Lu1 114.4(3) . .
C44 O32 Lu1 128.9(3) . .
C37 N31 C38 128.6(4) . .
C37 N31 H31A 115.7 . .
C38 N31 H31A 115.7 . .
O63 N61 O61 123.0(8) . .
O63 N61 O62 119.8(8) . .
O61 N61 O62 117.2(8) . .
O63 N61 Lu1 175.4(6) . .
O61 N61 Lu1 53.3(5) . .
O62 N61 Lu1 63.9(6) . .
N61 O61 Lu1 99.8(6) . .
N61 O62 Lu1 88.5(6) . .
O63A N61A O62A 122.9(7) . .
O63A N61A O61A 121.0(8) . .
O62A N61A O61A 116.1(7) . .
O63A N61A Lu1 174.2(4) . .
O62A N61A Lu1 55.6(4) . .
O61A N61A Lu1 60.8(4) . .
N61A O61A Lu1 92.0(5) . .
N61A O62A Lu1 97.8(5) . .
O53 N51 O52 121.3(8) . .
O53 N51 O51 120.7(8) . .
O52 N51 O51 118.0(8) . .
N51 O51 Lu1 95.2(6) . .
N51 O52 Lu1 96.6(6) . .
O53A N51A O51A 119.8(9) . .
O53A N51A O52A 120.5(9) . .
O51A N51A O52A 119.7(9) . .
O53A N51A Lu1 174.1(5) . .
O51A N51A Lu1 59.7(5) . .
O52A N51A Lu1 60.3(6) . .
N51A O51A Lu1 91.8(6) . .
N51A O52A Lu1 91.1(7) . .
O73 N71 O72 121.8(8) . .
O73 N71 O71 119.7(8) . .
O72 N71 O71 118.5(8) . .
N71 O71 Lu1 97.6(6) . .
N71 O72 Lu1 94.5(5) . .
O71A N71A O72A 121.9(9) . .
O71A N71A O73A 117.7(8) . .
O72A N71A O73A 120.4(8) . .
O71A N71A Lu1 66.4(5) . .
O72A N71A Lu1 55.8(6) . .
O73A N71A Lu1 173.0(5) . .
N71A O71A Lu1 86.1(6) . .
N71A O72A Lu1 96.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu2 O111 2.219(3) 4_655
Lu2 O111 2.219(3) .
Lu2 O171 2.386(4) 4_655
Lu2 O171 2.386(4) .
Lu2 O151 2.437(4) 4_655
Lu2 O151 2.437(4) .
Lu2 O112 2.529(4) .
Lu2 O112 2.529(4) 4_655
Lu2 O161 2.532(4) 4_655
Lu2 O161 2.532(4) .
Lu2 N151 2.824(10) .
Lu2 N161 2.877(5) .
N161 O162 1.220(7) .
N161 O161 1.252(6) .
N161 O171 1.280(6) 4_655
N151 O151 1.243(6) 4_655
N151 O151 1.243(6) .
N151 O152 1.276(11) .
O171 N161 1.280(6) 4_655
C111 C116 1.411(6) .
C111 C117 1.416(6) .
C111 C112 1.417(7) .
C112 C113 1.351(7) .
C112 H11B 0.9500 .
C113 C114 1.410(7) .
C113 H11C 0.9500 .
C114 C115 1.373(7) .
C114 H11D 0.9500 .
C115 O112 1.385(6) .
C115 C116 1.409(6) .
C116 O111 1.323(5) .
C117 N111 1.299(6) .
C117 H11E 0.9500 .
C118 C123 1.385(7) .
C118 C119 1.391(7) .
C118 N111 1.425(6) .
C119 C120 1.382(7) .
C119 H11F 0.9500 .
C120 C121 1.391(8) .
C120 H12B 0.9500 .
C121 C122 1.381(8) .
C121 H12C 0.9500 .
C122 C123 1.385(7) .
C122 H12D 0.9500 .
C123 H12E 0.9500 .
C124 O112 1.443(6) .
C124 H12F 0.9800 .
C124 H12G 0.9800 .
C124 H12H 0.9800 .
N111 H11G 0.8800 .
Lu1 O11 2.229(3) .
Lu1 O31 2.231(3) .
Lu1 O72A 2.244(10) .
Lu1 O61 2.233(10) .
Lu1 O51A 2.270(9) .
Lu1 O52A 2.283(11) .
Lu1 O62A 2.322(7) .
Lu1 O61A 2.435(7) .
Lu1 O62 2.464(12) .
Lu1 O71A 2.474(9) .
Lu1 O52 2.542(10) .
Lu1 O71 2.545(10) .
C11 C12 1.402(7) .
C11 C17 1.425(8) .
C11 C16 1.430(6) .
C12 C13 1.353(8) .
C12 H12A 0.9500 .
C13 C14 1.404(8) .
C13 H13A 0.9500 .
C14 C15 1.375(7) .
C14 H14A 0.9500 .
C15 O12 1.364(6) .
C15 C16 1.408(7) .
C16 O11 1.302(5) .
C17 N11 1.295(7) .
C17 H17A 0.9500 .
C18 C19 1.383(8) .
C18 C23 1.388(8) .
C18 N11 1.430(7) .
C19 C20 1.391(8) .
C19 H19A 0.9500 .
C20 C21 1.364(9) .
C20 H20A 0.9500 .
C21 C22 1.377(10) .
C21 H21A 0.9500 .
C22 C23 1.405(9) .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
C24 O12 1.441(6) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
N11 H11A 0.8800 .
C31 C32 1.406(6) .
C31 C36 1.422(6) .
C31 C37 1.428(6) .
C32 C33 1.365(7) .
C32 H32A 0.9500 .
C33 C34 1.413(8) .
C33 H33A 0.9500 .
C34 C35 1.366(7) .
C34 H34A 0.9500 .
C35 O32 1.370(6) .
C35 C36 1.415(7) .
C36 O31 1.308(5) .
C37 N31 1.297(6) .
C37 H37A 0.9500 .
C38 C39 1.361(8) .
C38 C43 1.379(8) .
C38 N31 1.441(7) .
C39 C40 1.399(9) .
C39 H39A 0.9500 .
C40 C41 1.371(10) .
C40 H40A 0.9500 .
C41 C42 1.353(10) .
C41 H41A 0.9500 .
C42 C43 1.383(9) .
C42 H42A 0.9500 .
C43 H43A 0.9500 .
C44 O32 1.446(6) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
N31 H31A 0.8800 .
N61 O63 1.241(8) .
N61 O61 1.257(8) .
N61 O62 1.271(8) .
N61A O63A 1.233(7) .
N61A O62A 1.260(7) .
N61A O61A 1.276(7) .
N51 O53 1.243(7) .
N51 O52 1.258(8) .
N51 O51 1.262(7) .
N51A O53A 1.248(8) .
N51A O51A 1.251(8) .
N51A O52A 1.254(8) .
N71 O73 1.243(7) .
N71 O72 1.246(8) .
N71 O71 1.263(8) .
N71A O71A 1.247(8) .
N71A O72A 1.249(8) .
N71A O73A 1.261(8) .
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
O111 Lu2 N161 O162 123(3) 4_655 .
O111 Lu2 N161 O162 -100(3) . .
O171 Lu2 N161 O162 -67(3) 4_655 .
O171 Lu2 N161 O162 47(3) . .
O151 Lu2 N161 O162 36(3) 4_655 .
O151 Lu2 N161 O162 -13(3) . .
O112 Lu2 N161 O162 -161(3) . .
O112 Lu2 N161 O162 177(3) 4_655 .
O161 Lu2 N161 O162 -38(4) 4_655 .
O161 Lu2 N161 O162 121(4) . .
N151 Lu2 N161 O162 10(3) . .
O111 Lu2 N161 O161 2.1(4) 4_655 .
O111 Lu2 N161 O161 139.0(4) . .
O171 Lu2 N161 O161 172.6(7) 4_655 .
O171 Lu2 N161 O161 -73.4(5) . .
O151 Lu2 N161 O161 -84.3(4) 4_655 .
O151 Lu2 N161 O161 -133.9(4) . .
O112 Lu2 N161 O161 78.7(4) . .
O112 Lu2 N161 O161 55.9(5) 4_655 .
O161 Lu2 N161 O161 -159.1(4) 4_655 .
N151 Lu2 N161 O161 -110.4(4) . .
O111 Lu2 N161 O171 -170.5(4) 4_655 4_655
O111 Lu2 N161 O171 -33.6(4) . 4_655
O171 Lu2 N161 O171 114.0(5) . 4_655
O151 Lu2 N161 O171 103.1(4) 4_655 4_655
O151 Lu2 N161 O171 53.5(4) . 4_655
O112 Lu2 N161 O171 -93.9(4) . 4_655
O112 Lu2 N161 O171 -116.7(4) 4_655 4_655
O161 Lu2 N161 O171 28.3(6) 4_655 4_655
O161 Lu2 N161 O171 -172.6(7) . 4_655
N151 Lu2 N161 O171 77.0(4) . 4_655
O162 N161 O161 Lu2 -171.6(7) . .
O171 N161 O161 Lu2 6.7(6) 4_655 .
O111 Lu2 O161 N161 -177.7(4) 4_655 .
O111 Lu2 O161 N161 -47.3(4) . .
O171 Lu2 O161 N161 -4.1(4) 4_655 .
O171 Lu2 O161 N161 125.7(4) . .
O151 Lu2 O161 N161 83.3(4) 4_655 .
O151 Lu2 O161 N161 47.6(4) . .
O112 Lu2 O161 N161 -91.8(4) . .
O112 Lu2 O161 N161 -141.2(4) 4_655 .
O161 Lu2 O161 N161 64.8(4) 4_655 .
N151 Lu2 O161 N161 64.8(4) . .
O111 Lu2 N151 O151 -21.1(2) 4_655 4_655
O111 Lu2 N151 O151 158.9(2) . 4_655
O171 Lu2 N151 O151 92.2(2) 4_655 4_655
O171 Lu2 N151 O151 -87.8(2) . 4_655
O151 Lu2 N151 O151 -180.0 . 4_655
O112 Lu2 N151 O151 79.9(3) . 4_655
O112 Lu2 N151 O151 -100.1(3) 4_655 4_655
O161 Lu2 N151 O151 -139.1(2) 4_655 4_655
O161 Lu2 N151 O151 40.9(2) . 4_655
N161 Lu2 N151 O151 65.1(3) . 4_655
O111 Lu2 N151 O151 158.9(2) 4_655 .
O111 Lu2 N151 O151 -21.1(2) . .
O171 Lu2 N151 O151 -87.8(2) 4_655 .
O171 Lu2 N151 O151 92.2(2) . .
O151 Lu2 N151 O151 180.0 4_655 .
O112 Lu2 N151 O151 -100.1(3) . .
O112 Lu2 N151 O151 79.9(3) 4_655 .
O161 Lu2 N151 O151 40.9(2) 4_655 .
O161 Lu2 N151 O151 -139.1(2) . .
N161 Lu2 N151 O151 -115.0(3) . .
O111 Lu2 N151 O152 0(100) 4_655 .
O111 Lu2 N151 O152 0(100) . .
O171 Lu2 N151 O152 0(100) 4_655 .
O171 Lu2 N151 O152 0(100) . .
O151 Lu2 N151 O152 0(100) 4_655 .
O151 Lu2 N151 O152 0(100) . .
O112 Lu2 N151 O152 0(100) . .
O112 Lu2 N151 O152 0(100) 4_655 .
O161 Lu2 N151 O152 0(100) 4_655 .
O161 Lu2 N151 O152 0(99) . .
N161 Lu2 N151 O152 0(100) . .
O151 N151 O151 Lu2 0.0 4_655 .
O152 N151 O151 Lu2 180.0 . .
O111 Lu2 O151 N151 -28.7(3) 4_655 .
O111 Lu2 O151 N151 160.5(2) . .
O171 Lu2 O151 N151 82.7(2) 4_655 .
O171 Lu2 O151 N151 -78.8(2) . .
O151 Lu2 O151 N151 0.0 4_655 .
O112 Lu2 O151 N151 114.5(2) . .
O112 Lu2 O151 N151 -127.8(2) 4_655 .
O161 Lu2 O151 N151 -134.0(2) 4_655 .
O161 Lu2 O151 N151 42.0(2) . .
N161 Lu2 O151 N151 60.8(2) . .
O111 Lu2 O171 N161 146.0(4) 4_655 4_655
O111 Lu2 O171 N161 10.7(5) . 4_655
O171 Lu2 O171 N161 -94.3(4) 4_655 4_655
O151 Lu2 O171 N161 -122.0(4) 4_655 4_655
O151 Lu2 O171 N161 -67.0(4) . 4_655
O112 Lu2 O171 N161 98.2(4) . 4_655
O112 Lu2 O171 N161 78.2(4) 4_655 4_655
O161 Lu2 O171 N161 4.1(4) 4_655 4_655
O161 Lu2 O171 N161 -162.2(4) . 4_655
N151 Lu2 O171 N161 -94.3(4) . 4_655
N161 Lu2 O171 N161 -132.4(5) . 4_655
C116 C111 C112 C113 -2.5(7) . .
C117 C111 C112 C113 173.2(5) . .
C111 C112 C113 C114 1.6(8) . .
C112 C113 C114 C115 -0.3(8) . .
C113 C114 C115 O112 179.4(5) . .
C113 C114 C115 C116 0.0(8) . .
C114 C115 C116 O111 -179.8(4) . .
O112 C115 C116 O111 0.7(6) . .
C114 C115 C116 C111 -0.9(7) . .
O112 C115 C116 C111 179.6(4) . .
C117 C111 C116 O111 5.3(7) . .
C112 C111 C116 O111 -179.0(4) . .
C117 C111 C116 C115 -173.5(4) . .
C112 C111 C116 C115 2.1(7) . .
C116 C111 C117 N111 2.6(7) . .
C112 C111 C117 N111 -172.9(4) . .
C123 C118 C119 C120 1.5(7) . .
N111 C118 C119 C120 -178.9(4) . .
C118 C119 C120 C121 -0.9(7) . .
C119 C120 C121 C122 -0.8(8) . .
C120 C121 C122 C123 1.9(8) . .
C119 C118 C123 C122 -0.5(7) . .
N111 C118 C123 C122 179.9(4) . .
C121 C122 C123 C118 -1.2(7) . .
C111 C117 N111 C118 174.5(4) . .
C123 C118 N111 C117 -8.4(7) . .
C119 C118 N111 C117 172.0(4) . .
C115 C116 O111 Lu2 -3.6(6) . .
C111 C116 O111 Lu2 177.6(3) . .
O111 Lu2 O111 C116 42.3(3) 4_655 .
O171 Lu2 O111 C116 -75.9(4) 4_655 .
O171 Lu2 O111 C116 144.2(3) . .
O151 Lu2 O111 C116 -124.5(3) 4_655 .
O151 Lu2 O111 C116 -146.8(4) . .
O112 Lu2 O111 C116 3.2(3) . .
O112 Lu2 O111 C116 78.3(4) 4_655 .
O161 Lu2 O111 C116 149.9(4) 4_655 .
O161 Lu2 O111 C116 -42.6(4) . .
N151 Lu2 O111 C116 -137.7(3) . .
N161 Lu2 O111 C116 -61.5(4) . .
C114 C115 O112 C124 4.4(8) . .
C116 C115 O112 C124 -176.1(5) . .
C114 C115 O112 Lu2 -177.6(4) . .
C116 C115 O112 Lu2 1.9(5) . .
O111 Lu2 O112 C115 -155.6(4) 4_655 .
O111 Lu2 O112 C115 -2.5(3) . .
O171 Lu2 O112 C115 80.5(3) 4_655 .
O171 Lu2 O112 C115 -107.9(3) . .
O151 Lu2 O112 C115 128.7(3) 4_655 .
O151 Lu2 O112 C115 49.5(4) . .
O112 Lu2 O112 C115 -87.6(3) 4_655 .
O161 Lu2 O112 C115 -39.5(4) 4_655 .
O161 Lu2 O112 C115 134.8(4) . .
N151 Lu2 O112 C115 92.4(3) . .
N161 Lu2 O112 C115 107.5(4) . .
O111 Lu2 O112 C124 22.0(5) 4_655 .
O111 Lu2 O112 C124 175.1(5) . .
O171 Lu2 O112 C124 -101.9(5) 4_655 .
O171 Lu2 O112 C124 69.7(5) . .
O151 Lu2 O112 C124 -53.7(5) 4_655 .
O151 Lu2 O112 C124 -132.8(4) . .
O112 Lu2 O112 C124 90.1(5) 4_655 .
O161 Lu2 O112 C124 138.2(5) 4_655 .
O161 Lu2 O112 C124 -47.6(5) . .
N151 Lu2 O112 C124 -89.9(5) . .
N161 Lu2 O112 C124 -74.9(5) . .
C17 C11 C12 C13 176.7(5) . .
C16 C11 C12 C13 -0.5(8) . .
C11 C12 C13 C14 -0.7(8) . .
C12 C13 C14 C15 1.1(8) . .
C13 C14 C15 O12 -179.7(5) . .
C13 C14 C15 C16 -0.4(8) . .
O12 C15 C16 O11 -1.6(7) . .
C14 C15 C16 O11 179.1(5) . .
O12 C15 C16 C11 178.6(4) . .
C14 C15 C16 C11 -0.7(7) . .
C12 C11 C16 O11 -178.6(5) . .
C17 C11 C16 O11 4.2(7) . .
C12 C11 C16 C15 1.2(7) . .
C17 C11 C16 C15 -176.0(5) . .
C12 C11 C17 N11 -176.8(5) . .
C16 C11 C17 N11 0.4(8) . .
C23 C18 C19 C20 0.3(8) . .
N11 C18 C19 C20 -179.3(5) . .
C18 C19 C20 C21 0.1(9) . .
C19 C20 C21 C22 -0.8(9) . .
C20 C21 C22 C23 1.2(10) . .
C19 C18 C23 C22 0.0(8) . .
N11 C18 C23 C22 179.6(5) . .
C21 C22 C23 C18 -0.8(9) . .
C15 C16 O11 Lu1 -17.1(7) . .
C11 C16 O11 Lu1 162.7(4) . .
O31 Lu1 O11 C16 132.3(4) . .
O72A Lu1 O11 C16 84.9(5) . .
O61 Lu1 O11 C16 9.4(6) . .
O51A Lu1 O11 C16 -179(96) . .
O52A Lu1 O11 C16 -121.3(5) . .
O62A Lu1 O11 C16 -47.1(5) . .
O61A Lu1 O11 C16 -7.0(6) . .
O62 Lu1 O11 C16 -39.1(5) . .
O71A Lu1 O11 C16 140.9(5) . .
O52 Lu1 O11 C16 -102.4(5) . .
O71 Lu1 O11 C16 100.6(5) . .
C14 C15 O12 C24 7.1(8) . .
C16 C15 O12 C24 -172.2(5) . .
C11 C17 N11 C18 178.7(5) . .
C19 C18 N11 C17 -167.7(5) . .
C23 C18 N11 C17 12.7(8) . .
C36 C31 C32 C33 0.0(7) . .
C37 C31 C32 C33 -179.3(5) . .
C31 C32 C33 C34 -0.2(8) . .
C32 C33 C34 C35 -0.2(8) . .
C33 C34 C35 O32 179.3(5) . .
C33 C34 C35 C36 0.7(8) . .
C34 C35 C36 O31 179.3(5) . .
O32 C35 C36 O31 0.5(6) . .
C34 C35 C36 C31 -0.8(7) . .
O32 C35 C36 C31 -179.6(4) . .
C32 C31 C36 O31 -179.6(4) . .
C37 C31 C36 O31 -0.4(7) . .
C32 C31 C36 C35 0.5(7) . .
C37 C31 C36 C35 179.7(4) . .
C32 C31 C37 N31 179.7(5) . .
C36 C31 C37 N31 0.5(7) . .
C43 C38 C39 C40 0.1(11) . .
N31 C38 C39 C40 -180.0(6) . .
C38 C39 C40 C41 0.0(12) . .
C39 C40 C41 C42 -0.2(11) . .
C40 C41 C42 C43 0.2(11) . .
C39 C38 C43 C42 0.0(9) . .
N31 C38 C43 C42 180.0(5) . .
C41 C42 C43 C38 -0.1(10) . .
C35 C36 O31 Lu1 -11.4(6) . .
C31 C36 O31 Lu1 168.8(3) . .
O11 Lu1 O31 C36 157.6(3) . .
O72A Lu1 O31 C36 -154.3(4) . .
O61 Lu1 O31 C36 -68.7(5) . .
O51A Lu1 O31 C36 109.1(5) . .
O52A Lu1 O31 C36 61.4(5) . .
O62A Lu1 O31 C36 -23.2(5) . .
O61A Lu1 O31 C36 -55.9(4) . .
O62 Lu1 O31 C36 -32.4(5) . .
O71A Lu1 O31 C36 149.3(4) . .
O52 Lu1 O31 C36 47.2(5) . .
O71 Lu1 O31 C36 -170.8(4) . .
C34 C35 O32 C44 2.6(7) . .
C36 C35 O32 C44 -178.7(4) . .
C34 C35 O32 Lu1 -171.1(4) . .
C36 C35 O32 Lu1 7.6(5) . .
O11 Lu1 O32 C35 -160.1(3) . .
O31 Lu1 O32 C35 -9.2(3) . .
O72A Lu1 O32 C35 12.8(5) . .
O61 Lu1 O32 C35 75.2(4) . .
O51A Lu1 O32 C35 -84.9(4) . .
O52A Lu1 O32 C35 -137.5(4) . .
O62A Lu1 O32 C35 143.6(4) . .
O61A Lu1 O32 C35 86.3(4) . .
O62 Lu1 O32 C35 132.1(4) . .
O71A Lu1 O32 C35 -59.7(4) . .
O52 Lu1 O32 C35 -157.6(4) . .
O71 Lu1 O32 C35 -11.6(5) . .
O11 Lu1 O32 C44 27.2(5) . .
O31 Lu1 O32 C44 178.1(4) . .
O72A Lu1 O32 C44 -159.9(5) . .
O61 Lu1 O32 C44 -97.5(5) . .
O51A Lu1 O32 C44 102.4(4) . .
O52A Lu1 O32 C44 49.8(5) . .
O62A Lu1 O32 C44 -29.1(4) . .
O61A Lu1 O32 C44 -86.4(4) . .
O62 Lu1 O32 C44 -40.6(4) . .
O71A Lu1 O32 C44 127.5(4) . .
O52 Lu1 O32 C44 29.7(4) . .
O71 Lu1 O32 C44 175.7(4) . .
C31 C37 N31 C38 -179.7(5) . .
C39 C38 N31 C37 -178.7(6) . .
C43 C38 N31 C37 1.2(8) . .
O11 Lu1 N61 O63 88(6) . .
O31 Lu1 N61 O63 -75(6) . .
O72A Lu1 N61 O63 4(6) . .
O61 Lu1 N61 O63 -39(7) . .
O51A Lu1 N61 O63 -159(6) . .
O52A Lu1 N61 O63 169(6) . .
O62A Lu1 N61 O63 143(7) . .
O61A Lu1 N61 O63 -64(6) . .
O62 Lu1 N61 O63 145(6) . .
O71A Lu1 N61 O63 5(7) . .
O52 Lu1 N61 O63 159(6) . .
O71 Lu1 N61 O63 4(6) . .
O11 Lu1 N61 O61 126.3(6) . .
O31 Lu1 N61 O61 -36.7(6) . .
O72A Lu1 N61 O61 42.3(6) . .
O51A Lu1 N61 O61 -120.5(10) . .
O52A Lu1 N61 O61 -152.2(7) . .
O62A Lu1 N61 O61 -178.8(8) . .
O61A Lu1 N61 O61 -25.2(11) . .
O62 Lu1 N61 O61 -176.6(6) . .
O71A Lu1 N61 O61 43.5(8) . .
O52 Lu1 N61 O61 -161.9(6) . .
O71 Lu1 N61 O61 42.9(6) . .
O11 Lu1 N61 O62 -57.1(6) . .
O31 Lu1 N61 O62 139.9(6) . .
O72A Lu1 N61 O62 -141.1(7) . .
O61 Lu1 N61 O62 176.6(6) . .
O51A Lu1 N61 O62 56.1(10) . .
O52A Lu1 N61 O62 24.4(7) . .
O62A Lu1 N61 O62 -2.2(10) . .
O61A Lu1 N61 O62 151.4(9) . .
O71A Lu1 N61 O62 -139.9(10) . .
O52 Lu1 N61 O62 14.7(7) . .
O71 Lu1 N61 O62 -140.5(7) . .
O63 N61 O61 Lu1 176.5(6) . .
O62 N61 O61 Lu1 -3.5(6) . .
O11 Lu1 O61 N61 -64.9(6) . .
O31 Lu1 O61 N61 143.3(6) . .
O72A Lu1 O61 N61 -138.8(6) . .
O51A Lu1 O61 N61 137.7(8) . .
O52A Lu1 O61 N61 36.1(8) . .
O62A Lu1 O61 N61 0.8(5) . .
O61A Lu1 O61 N61 30.3(12) . .
O62 Lu1 O61 N61 1.9(3) . .
O71A Lu1 O61 N61 -158.9(4) . .
O52 Lu1 O61 N61 20.5(7) . .
O71 Lu1 O61 N61 -143.2(5) . .
O63 N61 O62 Lu1 -176.9(5) . .
O61 N61 O62 Lu1 3.1(5) . .
O11 Lu1 O62 N61 127.1(6) . .
O31 Lu1 O62 N61 -47.4(7) . .
O72A Lu1 O62 N61 47.3(8) . .
O61 Lu1 O62 N61 -1.9(3) . .
O51A Lu1 O62 N61 -156.7(5) . .
O52A Lu1 O62 N61 -156.7(7) . .
O62A Lu1 O62 N61 173(3) . .
O61A Lu1 O62 N61 -11.5(4) . .
O71A Lu1 O62 N61 127.0(8) . .
O52 Lu1 O62 N61 -163.9(7) . .
O71 Lu1 O62 N61 56.5(9) . .
O11 Lu1 N61A O63A -117(6) . .
O31 Lu1 N61A O63A 73(6) . .
O72A Lu1 N61A O63A 156(6) . .
O61 Lu1 N61A O63A 121(6) . .
O51A Lu1 N61A O63A -22(6) . .
O52A Lu1 N61A O63A -40(6) . .
O62A Lu1 N61A O63A -77(6) . .
O61A Lu1 N61A O63A 110(6) . .
O62 Lu1 N61A O63A -82(6) . .
O71A Lu1 N61A O63A -179(100) . .
O52 Lu1 N61A O63A -49(6) . .
O71 Lu1 N61A O63A 159(6) . .
O11 Lu1 N61A O62A -39.9(5) . .
O31 Lu1 N61A O62A 150.0(4) . .
O72A Lu1 N61A O62A -126.5(5) . .
O61 Lu1 N61A O62A -162.4(7) . .
O51A Lu1 N61A O62A 55.3(6) . .
O52A Lu1 N61A O62A 37.4(5) . .
O61A Lu1 N61A O62A -173.1(4) . .
O62 Lu1 N61A O62A -5.4(17) . .
O71A Lu1 N61A O62A -101.6(14) . .
O52 Lu1 N61A O62A 27.6(5) . .
O71 Lu1 N61A O62A -124.1(6) . .
O11 Lu1 N61A O61A 133.2(3) . .
O31 Lu1 N61A O61A -36.9(4) . .
O72A Lu1 N61A O61A 46.5(4) . .
O61 Lu1 N61A O61A 10.7(7) . .
O51A Lu1 N61A O61A -131.7(6) . .
O52A Lu1 N61A O61A -149.5(5) . .
O62A Lu1 N61A O61A 173.1(4) . .
O62 Lu1 N61A O61A 167.7(16) . .
O71A Lu1 N61A O61A 71.5(14) . .
O52 Lu1 N61A O61A -159.3(4) . .
O71 Lu1 N61A O61A 48.9(5) . .
O63A N61A O61A Lu1 -173.6(4) . .
O62A N61A O61A Lu1 6.4(4) . .
O11 Lu1 O61A N61A -56.5(4) . .
O31 Lu1 O61A N61A 144.7(3) . .
O72A Lu1 O61A N61A -139.2(4) . .
O61 Lu1 O61A N61A -150.1(18) . .
O51A Lu1 O61A N61A 104.3(9) . .
O52A Lu1 O61A N61A 34.8(5) . .
O62A Lu1 O61A N61A -3.8(2) . .
O62 Lu1 O61A N61A -4.9(6) . .
O71A Lu1 O61A N61A -162.6(4) . .
O52 Lu1 O61A N61A 20.9(4) . .
O71 Lu1 O61A N61A -143.1(4) . .
O63A N61A O62A Lu1 173.3(4) . .
O61A N61A O62A Lu1 -6.7(4) . .
O11 Lu1 O62A N61A 141.6(4) . .
O31 Lu1 O62A N61A -37.9(5) . .
O72A Lu1 O62A N61A 69.1(6) . .
O61 Lu1 O62A N61A 12.3(5) . .
O51A Lu1 O62A N61A -147.2(4) . .
O52A Lu1 O62A N61A -140.8(6) . .
O61A Lu1 O62A N61A 3.9(3) . .
O62 Lu1 O62A N61A 8(2) . .
O71A Lu1 O62A N61A 158.7(5) . .
O52 Lu1 O62A N61A -146.5(6) . .
O71 Lu1 O62A N61A 83.9(6) . .
O53 N51 O51 Lu1 -175.3(5) . .
O52 N51 O51 Lu1 4.7(5) . .
O11 Lu1 O51 N51 67.9(4) . .
O31 Lu1 O51 N51 -144.6(4) . .
O72A Lu1 O51 N51 143.2(4) . .
O61 Lu1 O51 N51 -81.8(7) . .
O51A Lu1 O51 N51 144.1(10) . .
O52A Lu1 O51 N51 -4.1(7) . .
O62A Lu1 O51 N51 -15.4(5) . .
O61A Lu1 O51 N51 -66.7(6) . .
O62 Lu1 O51 N51 -22.7(6) . .
O71A Lu1 O51 N51 138.5(5) . .
O52 Lu1 O51 N51 -2.7(3) . .
O71 Lu1 O51 N51 141.3(5) . .
O53 N51 O52 Lu1 175.2(5) . .
O51 N51 O52 Lu1 -4.8(5) . .
O11 Lu1 O52 N51 -96.3(4) . .
O31 Lu1 O52 N51 50.7(5) . .
O72A Lu1 O52 N51 -81.2(7) . .
O61 Lu1 O52 N51 145.9(5) . .
O51A Lu1 O52 N51 -12.8(5) . .
O52A Lu1 O52 N51 5.1(12) . .
O62A Lu1 O52 N51 167.7(6) . .
O61A Lu1 O52 N51 143.5(4) . .
O62 Lu1 O52 N51 162.4(6) . .
O71A Lu1 O52 N51 -34.5(5) . .
O71 Lu1 O52 N51 -59.9(7) . .
O11 Lu1 N51A O53A -177(100) . .
O31 Lu1 N51A O53A -29(8) . .
O72A Lu1 N51A O53A -106(8) . .
O61 Lu1 N51A O53A 42(8) . .
O51A Lu1 N51A O53A -87(8) . .
O52A Lu1 N51A O53A 99(8) . .
O62A Lu1 N51A O53A 101(8) . .
O61A Lu1 N51A O53A 56(8) . .
O62 Lu1 N51A O53A 95(8) . .
O71A Lu1 N51A O53A -103(8) . .
O52 Lu1 N51A O53A 107(8) . .
O71 Lu1 N51A O53A -106(8) . .
O11 Lu1 N51A O51A -89.4(5) . .
O31 Lu1 N51A O51A 58.0(5) . .
O72A Lu1 N51A O51A -18.6(6) . .
O61 Lu1 N51A O51A 129.5(7) . .
O52A Lu1 N51A O51A -173.2(5) . .
O62A Lu1 N51A O51A -171.3(5) . .
O61A Lu1 N51A O51A 142.9(5) . .
O62 Lu1 N51A O51A -177.3(6) . .
O71A Lu1 N51A O51A -15.9(5) . .
O52 Lu1 N51A O51A -165.9(6) . .
O71 Lu1 N51A O51A -18.2(5) . .
O11 Lu1 N51A O52A 83.8(6) . .
O31 Lu1 N51A O52A -128.8(6) . .
O72A Lu1 N51A O52A 154.6(7) . .
O61 Lu1 N51A O52A -57.4(8) . .
O51A Lu1 N51A O52A 173.2(5) . .
O62A Lu1 N51A O52A 1.9(6) . .
O61A Lu1 N51A O52A -43.9(6) . .
O62 Lu1 N51A O52A -4.1(7) . .
O71A Lu1 N51A O52A 157.3(6) . .
O52 Lu1 N51A O52A 7.3(8) . .
O71 Lu1 N51A O52A 155.0(6) . .
O53A N51A O51A Lu1 173.2(5) . .
O52A N51A O51A Lu1 -6.8(5) . .
O11 Lu1 O51A N51A 84.8(4) . .
O31 Lu1 O51A N51A -120.1(5) . .
O72A Lu1 O51A N51A 164.1(5) . .
O61 Lu1 O51A N51A -114.5(9) . .
O52A Lu1 O51A N51A 3.9(3) . .
O62A Lu1 O51A N51A 11.2(7) . .
O61A Lu1 O51A N51A -78.8(9) . .
O62 Lu1 O51A N51A 3.9(8) . .
O71A Lu1 O51A N51A 156.6(7) . .
O52 Lu1 O51A N51A 10.6(5) . .
O71 Lu1 O51A N51A 162.0(5) . .
O53A N51A O52A Lu1 -173.2(5) . .
O51A N51A O52A Lu1 6.8(5) . .
O11 Lu1 O52A N51A -89.7(5) . .
O31 Lu1 O52A N51A 55.9(6) . .
O72A Lu1 O52A N51A -40.1(10) . .
O61 Lu1 O52A N51A 148.7(5) . .
O51A Lu1 O52A N51A -3.9(3) . .
O62A Lu1 O52A N51A -178.0(6) . .
O61A Lu1 O52A N51A 150.3(4) . .
O62 Lu1 O52A N51A 176.1(6) . .
O71A Lu1 O52A N51A -20.7(5) . .
O52 Lu1 O52A N51A -163.2(17) . .
O71 Lu1 O52A N51A -32.2(8) . .
O73 N71 O71 Lu1 -179.8(5) . .
O72 N71 O71 Lu1 0.2(5) . .
O11 Lu1 O71 N71 -119.7(5) . .
O31 Lu1 O71 N71 77.6(5) . .
O72A Lu1 O71 N71 -14.3(13) . .
O61 Lu1 O71 N71 1.6(6) . .
O51A Lu1 O71 N71 158.3(6) . .
O52A Lu1 O71 N71 -177.7(5) . .
O62A Lu1 O71 N71 -59.3(7) . .
O61A Lu1 O71 N71 -0.1(6) . .
O62 Lu1 O71 N71 -42.9(8) . .
O71A Lu1 O71 N71 163.8(9) . .
O52 Lu1 O71 N71 -155.4(4) . .
O73 N71 O72 Lu1 179.8(4) . .
O71 N71 O72 Lu1 -0.2(4) . .
O11 Lu1 O72 N71 59.3(4) . .
O31 Lu1 O72 N71 -86.7(4) . .
O72A Lu1 O72 N71 7.1(6) . .
O61 Lu1 O72 N71 -177.7(6) . .
O51A Lu1 O72 N71 -25.3(5) . .
O52A Lu1 O72 N71 69(9) . .
O62A Lu1 O72 N71 147.0(4) . .
O61A Lu1 O72 N71 -179.9(5) . .
O62 Lu1 O72 N71 153.1(5) . .
O71A Lu1 O72 N71 -9.9(4) . .
O52 Lu1 O72 N71 127.7(8) . .
O71 Lu1 O72 N71 0.1(3) . .
O11 Lu1 N71A O71A 82.2(4) . .
O31 Lu1 N71A O71A -86.4(3) . .
O72A Lu1 N71A O71A -173.5(4) . .
O61 Lu1 N71A O71A -159.1(5) . .
O51A Lu1 N71A O71A -3.8(4) . .
O52A Lu1 N71A O71A 19.5(5) . .
O62A Lu1 N71A O71A 125.6(6) . .
O61A Lu1 N71A O71A -160.4(4) . .
O62 Lu1 N71A O71A 146.5(6) . .
O52 Lu1 N71A O71A 37.4(4) . .
O71 Lu1 N71A O71A -170.5(17) . .
O11 Lu1 N71A O72A -104.3(5) . .
O31 Lu1 N71A O72A 87.2(5) . .
O61 Lu1 N71A O72A 14.4(5) . .
O51A Lu1 N71A O72A 169.7(5) . .
O52A Lu1 N71A O72A -166.9(6) . .
O62A Lu1 N71A O72A -60.9(6) . .
O61A Lu1 N71A O72A 13.2(5) . .
O62 Lu1 N71A O72A -40.0(6) . .
O71A Lu1 N71A O72A 173.5(4) . .
O52 Lu1 N71A O72A -149.1(6) . .
O71 Lu1 N71A O72A 3.0(19) . .
O11 Lu1 N71A O73A -45(5) . .
O31 Lu1 N71A O73A 146(5) . .
O72A Lu1 N71A O73A 59(5) . .
O61 Lu1 N71A O73A 74(5) . .
O51A Lu1 N71A O73A -131(5) . .
O52A Lu1 N71A O73A -108(5) . .
O62A Lu1 N71A O73A -2(5) . .
O61A Lu1 N71A O73A 72(5) . .
O62 Lu1 N71A O73A 19(5) . .
O71A Lu1 N71A O73A -127(5) . .
O52 Lu1 N71A O73A -90(5) . .
O71 Lu1 N71A O73A 62(5) . .
O72A N71A O71A Lu1 -6.3(4) . .
O73A N71A O71A Lu1 173.7(4) . .
O11 Lu1 O71A N71A -88.2(3) . .
O31 Lu1 O71A N71A 87.0(3) . .
O72A Lu1 O71A N71A 3.6(2) . .
O61 Lu1 O71A N71A 28.3(6) . .
O51A Lu1 O71A N71A 174.5(6) . .
O52A Lu1 O71A N71A -162.9(4) . .
O62A Lu1 O71A N71A -106.3(7) . .
O61A Lu1 O71A N71A 32.5(6) . .
O62 Lu1 O71A N71A -88.1(10) . .
O52 Lu1 O71A N71A -151.1(3) . .
O71 Lu1 O71A N71A 3.0(5) . .
O71A N71A O72A Lu1 7.0(4) . .
O73A N71A O72A Lu1 -173.0(4) . .
O11 Lu1 O72A N71A 69.0(4) . .
O31 Lu1 O72A N71A -86.3(4) . .
O61 Lu1 O72A N71A -166.4(5) . .
O51A Lu1 O72A N71A -9.4(5) . .
O52A Lu1 O72A N71A 20.3(9) . .
O62A Lu1 O72A N71A 143.6(4) . .
O61A Lu1 O72A N71A -169.0(4) . .
O62 Lu1 O72A N71A 155.3(4) . .
O71A Lu1 O72A N71A -3.6(2) . .
O52 Lu1 O72A N71A 54.4(8) . .
O71 Lu1 O72A N71A -2.1(13) . .
