#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:50:11 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178965 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/94/4119446.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_4119446
loop_
_publ_author_name
'Polly L. Arnold'
'Emmalina Hollis'
'Gary S. Nichol'
'Jason B. Love'
'Jean-Christophe Griveau'
'Roberto Caciuffo'
'Nicola Magnani'
'Laurent Maron'
'Ludovic Castro'
'Ahmed Yahia'
'Samuel O. Odoh'
'Georg Schreckenbach'
_publ_section_title
;
 Oxo-Functionalization and Reduction of the Uranyl Ion through
 Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding
 Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3841
_journal_page_last               3854
_journal_paper_doi               10.1021/ja308993g
_journal_volume                  135
_journal_year                    2013
_chemical_formula_moiety         'C114 H110 Lu2 N22 O4 U2'
_chemical_formula_sum            'C114 H110 Lu2 N22 O4 U2'
_chemical_formula_weight         2678.24
_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                 110.560(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.5714(7)
_cell_length_b                   15.1648(4)
_cell_length_c                   20.6389(9)
_cell_measurement_reflns_used    25379
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.4239
_cell_measurement_theta_min      2.8800
_cell_volume                     5149.3(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_molecular_graphics    'ORTEP (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_detector_area_resol_mean 16.1042
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            62567
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    5.101
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            amber
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_description       block
_exptl_crystal_F_000             2612
_exptl_crystal_size_max          0.2956
_exptl_crystal_size_mid          0.2637
_exptl_crystal_size_min          0.1613
_refine_diff_density_max         2.702
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     657
_refine_ls_number_reflns         11799
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0297
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0266P)²+11.5218P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                10282
_reflns_number_total             11799
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja308993g_si_009.cif
_cod_data_source_block           p11022c
_cod_original_cell_volume        5149.3(3)
_cod_database_code               4119446
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
C1 C 0.4470(2) 0.5524(3) 0.6854(2) 0.0205(8) Uani 1 1 d .
H1 H 0.4249 0.5345 0.7192 0.025 Uiso 1 1 calc R
C2 C 0.4927(2) 0.6313(3) 0.6958(2) 0.0216(8) Uani 1 1 d .
C3 C 0.5172(3) 0.6902(3) 0.7514(2) 0.0268(9) Uani 1 1 d .
H3 H 0.5071 0.6853 0.7936 0.032 Uiso 1 1 calc R
C4 C 0.5592(3) 0.7573(3) 0.7328(2) 0.0266(9) Uani 1 1 d .
H4 H 0.5835 0.8073 0.7600 0.032 Uiso 1 1 calc R
C5 C 0.5591(2) 0.7376(3) 0.6664(2) 0.0215(8) Uani 1 1 d .
C6 C 0.5986(3) 0.7879(3) 0.6230(2) 0.0239(9) Uani 1 1 d .
C7 C 0.6691(3) 0.7318(3) 0.6161(2) 0.0284(10) Uani 1 1 d .
H7A H 0.7111 0.7241 0.6618 0.043 Uiso 1 1 calc R
H7B H 0.6924 0.7620 0.5854 0.043 Uiso 1 1 calc R
H7C H 0.6483 0.6740 0.5966 0.043 Uiso 1 1 calc R
C8 C 0.6350(3) 0.8750(3) 0.6596(3) 0.0363(11) Uani 1 1 d .
H8A H 0.5913 0.9121 0.6640 0.054 Uiso 1 1 calc R
H8B H 0.6623 0.9061 0.6324 0.054 Uiso 1 1 calc R
H8C H 0.6743 0.8621 0.7058 0.054 Uiso 1 1 calc R
C9 C 0.5385(2) 0.8072(3) 0.5509(2) 0.0203(8) Uani 1 1 d .
C10 C 0.5246(3) 0.8872(3) 0.5144(2) 0.0253(9) Uani 1 1 d .
H10 H 0.5502 0.9420 0.5307 0.030 Uiso 1 1 calc R
C11 C 0.4659(3) 0.8707(3) 0.4494(2) 0.0247(9) Uani 1 1 d .
H11 H 0.4437 0.9120 0.4130 0.030 Uiso 1 1 calc R
C12 C 0.4465(2) 0.7818(3) 0.4489(2) 0.0209(8) Uani 1 1 d .
C13 C 0.3889(2) 0.7293(3) 0.3972(2) 0.0188(8) Uani 1 1 d .
H13 H 0.3530 0.7561 0.3563 0.023 Uiso 1 1 calc R
C14 C 0.3194(2) 0.5955(3) 0.3604(2) 0.0180(8) Uani 1 1 d .
C15 C 0.3354(2) 0.5312(3) 0.3184(2) 0.0219(8) Uani 1 1 d .
H15 H 0.3898 0.5228 0.3206 0.026 Uiso 1 1 calc R
C16 C 0.2747(3) 0.4793(3) 0.2735(2) 0.0234(9) Uani 1 1 d .
C17 C 0.2948(3) 0.4154(3) 0.2258(2) 0.0313(10) Uani 1 1 d .
H17A H 0.2691 0.4350 0.1778 0.047 Uiso 1 1 calc R
H17B H 0.2745 0.3566 0.2312 0.047 Uiso 1 1 calc R
H17C H 0.3539 0.4129 0.2375 0.047 Uiso 1 1 calc R
C18 C 0.1277(3) 0.4296(3) 0.2290(2) 0.0327(11) Uani 1 1 d .
H18A H 0.0774 0.4443 0.2370 0.049 Uiso 1 1 calc R
H18B H 0.1419 0.3679 0.2416 0.049 Uiso 1 1 calc R
H18C H 0.1198 0.4383 0.1800 0.049 Uiso 1 1 calc R
C19 C 0.1953(3) 0.4885(3) 0.2727(2) 0.0222(8) Uani 1 1 d .
C20 C 0.1792(2) 0.5516(3) 0.3149(2) 0.0214(8) Uani 1 1 d .
H20 H 0.1251 0.5573 0.3143 0.026 Uiso 1 1 calc R
C21 C 0.2397(2) 0.6075(3) 0.3586(2) 0.0189(8) Uani 1 1 d .
C22 C 0.1508(2) 0.7148(3) 0.3671(2) 0.0223(8) Uani 1 1 d .
H22 H 0.1297 0.7131 0.3179 0.027 Uiso 1 1 calc R
C23 C 0.1102(3) 0.7654(3) 0.4023(2) 0.0235(9) Uani 1 1 d .
C24 C 0.0378(3) 0.8127(3) 0.3749(2) 0.0337(11) Uani 1 1 d .
H24 H 0.0064 0.8208 0.3274 0.040 Uiso 1 1 calc R
C25 C 0.0209(3) 0.8457(3) 0.4315(2) 0.0322(11) Uani 1 1 d .
H25 H -0.0247 0.8804 0.4300 0.039 Uiso 1 1 calc R
C26 C 0.0848(2) 0.8177(3) 0.4913(2) 0.0206(8) Uani 1 1 d .
C27 C 0.0966(2) 0.8426(3) 0.5658(2) 0.0222(9) Uani 1 1 d .
C28 C 0.0159(3) 0.8745(3) 0.5706(3) 0.0332(11) Uani 1 1 d .
H28A H -0.0243 0.8268 0.5563 0.050 Uiso 1 1 calc R
H28B H -0.0038 0.9254 0.5400 0.050 Uiso 1 1 calc R
H28C H 0.0242 0.8915 0.6184 0.050 Uiso 1 1 calc R
C29 C 0.1571(3) 0.9211(3) 0.5868(2) 0.0282(10) Uani 1 1 d .
H29A H 0.1677 0.9365 0.6353 0.042 Uiso 1 1 calc R
H29B H 0.1336 0.9720 0.5573 0.042 Uiso 1 1 calc R
H29C H 0.2082 0.9043 0.5810 0.042 Uiso 1 1 calc R
C30 C 0.1300(2) 0.7678(3) 0.6169(2) 0.0223(8) Uani 1 1 d .
C31 C 0.1221(3) 0.7608(3) 0.6821(3) 0.0382(12) Uani 1 1 d .
H31 H 0.0942 0.8007 0.7014 0.046 Uiso 1 1 calc R
C32 C 0.1627(3) 0.6847(3) 0.7130(3) 0.0367(12) Uani 1 1 d .
H32 H 0.1680 0.6622 0.7574 0.044 Uiso 1 1 calc R
C33 C 0.1941(3) 0.6480(3) 0.6659(2) 0.0246(9) Uani 1 1 d .
C34 C 0.2387(3) 0.5694(3) 0.6690(2) 0.0239(9) Uani 1 1 d .
H34 H 0.2464 0.5295 0.7063 0.029 Uiso 1 1 calc R
C35 C 0.2943(2) 0.4618(3) 0.6178(2) 0.0209(8) Uani 1 1 d .
C36 C 0.2356(3) 0.3949(3) 0.6071(2) 0.0249(9) Uani 1 1 d .
H36 H 0.1848 0.4091 0.6110 0.030 Uiso 1 1 calc R
C37 C 0.2497(3) 0.3090(3) 0.5912(2) 0.0232(9) Uani 1 1 d .
C38 C 0.1821(3) 0.2421(3) 0.5760(3) 0.0364(11) Uani 1 1 d .
H38A H 0.2000 0.1925 0.6082 0.055 Uiso 1 1 calc R
H38B H 0.1680 0.2208 0.5284 0.055 Uiso 1 1 calc R
H38C H 0.1343 0.2697 0.5815 0.055 Uiso 1 1 calc R
C39 C 0.3425(3) 0.1955(3) 0.5682(3) 0.0317(10) Uani 1 1 d .
H39A H 0.3416 0.1548 0.6048 0.048 Uiso 1 1 calc R
H39B H 0.3962 0.1939 0.5638 0.048 Uiso 1 1 calc R
H39C H 0.3011 0.1777 0.5243 0.048 Uiso 1 1 calc R
C40 C 0.3249(3) 0.2880(3) 0.5863(2) 0.0229(9) Uani 1 1 d .
C41 C 0.3844(2) 0.3534(3) 0.5990(2) 0.0201(8) Uani 1 1 d .
H41 H 0.4355 0.3387 0.5958 0.024 Uiso 1 1 calc R
C42 C 0.3713(2) 0.4396(3) 0.6162(2) 0.0190(8) Uani 1 1 d .
C43 C 0.1773(4) 0.4662(3) 0.4562(2) 0.0407(13) Uani 1 1 d .
H43 H 0.2346 0.4607 0.4688 0.049 Uiso 1 1 calc R
C44 C 0.1281(5) 0.3962(4) 0.4235(3) 0.066(2) Uani 1 1 d .
H44 H 0.1517 0.3430 0.4151 0.079 Uiso 1 1 calc R
C45 C 0.0462(6) 0.4038(5) 0.4034(3) 0.081(3) Uani 1 1 d .
H45 H 0.0119 0.3567 0.3799 0.097 Uiso 1 1 calc R
C46 C 0.0136(4) 0.4800(6) 0.4174(3) 0.072(2) Uani 1 1 d .
H46 H -0.0436 0.4865 0.4046 0.086 Uiso 1 1 calc R
C47 C 0.0655(3) 0.5475(4) 0.4507(3) 0.0465(14) Uani 1 1 d .
H47 H 0.0426 0.6006 0.4600 0.056 Uiso 1 1 calc R
C48 C 0.3502(3) 0.8024(4) 0.6453(3) 0.0485(15) Uani 1 1 d .
H48 H 0.3451 0.7570 0.6751 0.058 Uiso 1 1 calc R
C49 C 0.3903(4) 0.8806(5) 0.6743(4) 0.073(3) Uani 1 1 d .
H49 H 0.4126 0.8879 0.7231 0.087 Uiso 1 1 calc R
C50 C 0.3967(4) 0.9458(4) 0.6312(5) 0.074(3) Uani 1 1 d .
H50 H 0.4224 0.9999 0.6498 0.089 Uiso 1 1 calc R
C51 C 0.3662(4) 0.9337(4) 0.5610(5) 0.065(2) Uani 1 1 d .
H51 H 0.3713 0.9782 0.5305 0.078 Uiso 1 1 calc R
C52 C 0.3276(4) 0.8548(4) 0.5359(4) 0.0496(15) Uani 1 1 d .
H52 H 0.3063 0.8461 0.4873 0.060 Uiso 1 1 calc R
C200 C -0.1101(6) 0.8207(6) 0.6870(5) 0.081(2) Uani 1 1 d .
H200 H -0.1001 0.7610 0.7014 0.097 Uiso 1 1 calc R
C201 C -0.0838(6) 0.8854(7) 0.7365(5) 0.097(3) Uani 1 1 d .
H201 H -0.0567 0.8706 0.7838 0.117 Uiso 1 1 calc R
C202 C -0.0972(6) 0.9710(7) 0.7163(6) 0.100(3) Uani 1 1 d .
H202 H -0.0791 1.0176 0.7488 0.120 Uiso 1 1 calc R
C203 C -0.1376(5) 0.9880(6) 0.6479(6) 0.093(3) Uani 1 1 d .
H203 H -0.1490 1.0471 0.6322 0.111 Uiso 1 1 calc R
C204 C -0.1618(4) 0.9194(5) 0.6016(5) 0.075(2) Uani 1 1 d .
H204 H -0.1892 0.9325 0.5541 0.090 Uiso 1 1 calc R
N1 N 0.43434(19) 0.5035(2) 0.63042(17) 0.0180(7) Uani 1 1 d .
N2 N 0.5188(2) 0.6612(2) 0.64312(17) 0.0193(7) Uani 1 1 d .
N3 N 0.4912(2) 0.7425(2) 0.51170(18) 0.0211(7) Uani 1 1 d .
N4 N 0.38572(19) 0.6445(2) 0.40645(17) 0.0175(7) Uani 1 1 d .
N5 N 0.2168(2) 0.6701(2) 0.40016(17) 0.0184(7) Uani 1 1 d .
N6 N 0.1383(2) 0.7682(2) 0.47346(17) 0.0218(7) Uani 1 1 d .
N7 N 0.1737(2) 0.6992(2) 0.60634(18) 0.0218(7) Uani 1 1 d .
N8 N 0.2693(2) 0.5512(2) 0.62150(17) 0.0200(7) Uani 1 1 d .
N9 N 0.1462(2) 0.5416(3) 0.4704(2) 0.0311(9) Uani 1 1 d .
N10 N 0.3188(2) 0.7899(3) 0.5770(2) 0.0329(9) Uani 1 1 d .
N200 N -0.1484(4) 0.8364(4) 0.6207(4) 0.0722(19) Uani 1 1 d .
O1 O 0.35077(16) 0.61570(18) 0.52538(14) 0.0189(6) Uani 1 1 d .
O2 O 0.56198(15) 0.54811(17) 0.52636(14) 0.0178(6) Uani 1 1 d .
Lu1 Lu 0.236446(9) 0.662551(11) 0.526918(8) 0.01638(5) Uani 1 1 d .
U1 U 0.458345(8) 0.587681(9) 0.529595(7) 0.01441(4) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
N1 C1 C2 121.7(4) . .
N1 C1 H1 119.2 . .
C2 C1 H1 119.2 . .
N2 C2 C3 110.0(4) . .
N2 C2 C1 118.8(4) . .
C3 C2 C1 131.2(4) . .
C4 C3 C2 106.3(4) . .
C4 C3 H3 126.8 . .
C2 C3 H3 126.8 . .
C3 C4 C5 107.2(4) . .
C3 C4 H4 126.4 . .
C5 C4 H4 126.4 . .
N2 C5 C4 110.5(4) . .
N2 C5 C6 120.7(4) . .
C4 C5 C6 128.8(4) . .
C5 C6 C9 111.7(3) . .
C5 C6 C8 109.7(4) . .
C9 C6 C8 109.9(4) . .
C5 C6 C7 109.0(4) . .
C9 C6 C7 108.5(3) . .
C8 C6 C7 107.9(4) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 C10 110.5(4) . .
N3 C9 C6 121.0(4) . .
C10 C9 C6 128.4(4) . .
C11 C10 C9 106.9(4) . .
C11 C10 H10 126.5 . .
C9 C10 H10 126.5 . .
C12 C11 C10 106.1(4) . .
C12 C11 H11 127.0 . .
C10 C11 H11 127.0 . .
C11 C12 N3 110.6(4) . .
C11 C12 C13 130.9(4) . .
N3 C12 C13 118.5(3) . .
N4 C13 C12 119.8(4) . .
N4 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C15 C14 C21 119.4(4) . .
C15 C14 N4 118.8(3) . .
C21 C14 N4 121.8(4) . .
C16 C15 C14 122.4(4) . .
C16 C15 H15 118.8 . .
C14 C15 H15 118.8 . .
C15 C16 C19 118.9(4) . .
C15 C16 C17 120.0(4) . .
C19 C16 C17 121.1(4) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C19 C18 H18A 109.5 . .
C19 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C19 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C20 C19 C16 119.0(4) . .
C20 C19 C18 119.4(4) . .
C16 C19 C18 121.6(4) . .
C19 C20 C21 122.7(4) . .
C19 C20 H20 118.6 . .
C21 C20 H20 118.6 . .
C14 C21 C20 117.5(4) . .
C14 C21 N5 124.0(3) . .
C20 C21 N5 118.4(4) . .
N5 C22 C23 121.9(4) . .
N5 C22 H22 119.1 . .
C23 C22 H22 119.1 . .
N6 C23 C24 110.5(4) . .
N6 C23 C22 120.7(4) . .
C24 C23 C22 128.6(4) . .
C25 C24 C23 106.1(4) . .
C25 C24 H24 127.0 . .
C23 C24 H24 127.0 . .
C24 C25 C26 106.6(4) . .
C24 C25 H25 126.7 . .
C26 C25 H25 126.7 . .
N6 C26 C25 110.1(4) . .
N6 C26 C27 123.5(3) . .
C25 C26 C27 126.3(4) . .
C30 C27 C26 113.4(3) . .
C30 C27 C28 109.4(4) . .
C26 C27 C28 110.0(3) . .
C30 C27 C29 108.6(3) . .
C26 C27 C29 107.9(4) . .
C28 C27 C29 107.4(4) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N7 C30 C31 110.4(4) . .
N7 C30 C27 124.4(4) . .
C31 C30 C27 125.2(4) . .
C32 C31 C30 107.2(4) . .
C32 C31 H31 126.4 . .
C30 C31 H31 126.4 . .
C31 C32 C33 106.0(4) . .
C31 C32 H32 127.0 . .
C33 C32 H32 127.0 . .
N7 C33 C32 110.6(4) . .
N7 C33 C34 118.6(4) . .
C32 C33 C34 130.8(4) . .
N8 C34 C33 120.8(4) . .
N8 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
C42 C35 C36 118.9(4) . .
C42 C35 N8 122.8(4) . .
C36 C35 N8 117.9(4) . .
C37 C36 C35 122.2(4) . .
C37 C36 H36 118.9 . .
C35 C36 H36 118.9 . .
C36 C37 C40 118.8(4) . .
C36 C37 C38 119.2(4) . .
C40 C37 C38 121.9(4) . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C40 C39 H39A 109.5 . .
C40 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C40 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C40 C41 119.3(4) . .
C37 C40 C39 120.7(4) . .
C41 C40 C39 120.0(4) . .
C42 C41 C40 122.3(4) . .
C42 C41 H41 118.9 . .
C40 C41 H41 118.9 . .
C41 C42 C35 118.4(4) . .
C41 C42 N1 120.3(4) . .
C35 C42 N1 121.2(4) . .
N9 C43 C44 121.7(6) . .
N9 C43 H43 119.1 . .
C44 C43 H43 119.1 . .
C45 C44 C43 119.9(7) . .
C45 C44 H44 120.1 . .
C43 C44 H44 120.1 . .
C44 C45 C46 119.1(6) . .
C44 C45 H45 120.4 . .
C46 C45 H45 120.4 . .
C45 C46 C47 118.6(7) . .
C45 C46 H46 120.7 . .
C47 C46 H46 120.7 . .
N9 C47 C46 123.2(7) . .
N9 C47 H47 118.4 . .
C46 C47 H47 118.4 . .
N10 C48 C49 122.1(7) . .
N10 C48 H48 119.0 . .
C49 C48 H48 119.0 . .
C50 C49 C48 118.7(7) . .
C50 C49 H49 120.7 . .
C48 C49 H49 120.7 . .
C49 C50 C51 120.1(6) . .
C49 C50 H50 119.9 . .
C51 C50 H50 119.9 . .
C50 C51 C52 118.1(7) . .
C50 C51 H51 120.9 . .
C52 C51 H51 120.9 . .
N10 C52 C51 123.2(6) . .
N10 C52 H52 118.4 . .
C51 C52 H52 118.4 . .
N200 C200 C201 124.0(9) . .
N200 C200 H200 118.0 . .
C201 C200 H200 118.0 . .
C202 C201 C200 118.5(10) . .
C202 C201 H201 120.8 . .
C200 C201 H201 120.8 . .
C201 C202 C203 118.0(8) . .
C201 C202 H202 121.0 . .
C203 C202 H202 121.0 . .
C202 C203 C204 119.8(9) . .
C202 C203 H203 120.1 . .
C204 C203 H203 120.1 . .
N200 C204 C203 122.5(9) . .
N200 C204 H204 118.7 . .
C203 C204 H204 118.7 . .
C1 N1 C42 116.6(3) . .
C1 N1 U1 113.0(3) . .
C42 N1 U1 120.2(2) . .
C5 N2 C2 106.0(3) . .
C5 N2 U1 136.0(3) . .
C2 N2 U1 116.2(2) . .
C9 N3 C12 105.8(3) . .
C9 N3 U1 136.4(3) . .
C12 N3 U1 117.4(2) . .
C13 N4 C14 118.9(3) . .
C13 N4 U1 116.4(3) . .
C14 N4 U1 119.4(2) . .
C22 N5 C21 114.5(3) . .
C22 N5 Lu1 109.8(3) . .
C21 N5 Lu1 129.0(2) . .
C26 N6 C23 106.6(3) . .
C26 N6 Lu1 136.4(3) . .
C23 N6 Lu1 114.4(3) . .
C30 N7 C33 105.8(3) . .
C30 N7 Lu1 136.7(3) . .
C33 N7 Lu1 116.6(3) . .
C34 N8 C35 117.2(4) . .
C34 N8 Lu1 113.7(3) . .
C35 N8 Lu1 126.1(3) . .
C47 N9 C43 117.4(5) . .
C47 N9 Lu1 122.6(4) . .
C43 N9 Lu1 119.9(3) . .
C48 N10 C52 117.7(5) . .
C48 N10 Lu1 121.9(4) . .
C52 N10 Lu1 120.1(4) . .
C204 N200 C200 117.2(7) . .
U1 O1 Lu1 172.73(16) . .
U1 O2 U1 107.97(11) . 3_666
O1 Lu1 N6 139.81(11) . .
O1 Lu1 N7 139.83(11) . .
N6 Lu1 N7 73.47(12) . .
O1 Lu1 N10 81.20(11) . .
N6 Lu1 N10 83.45(12) . .
N7 Lu1 N10 82.51(13) . .
O1 Lu1 N9 101.50(13) . .
N6 Lu1 N9 92.39(13) . .
N7 Lu1 N9 97.28(13) . .
N10 Lu1 N9 175.72(13) . .
O1 Lu1 N8 79.99(10) . .
N6 Lu1 N8 140.08(12) . .
N7 Lu1 N8 69.46(11) . .
N10 Lu1 N8 105.52(13) . .
N9 Lu1 N8 78.32(12) . .
O1 Lu1 N5 77.70(10) . .
N6 Lu1 N5 70.62(11) . .
N7 Lu1 N5 142.18(11) . .
N10 Lu1 N5 104.53(13) . .
N9 Lu1 N5 73.02(12) . .
N8 Lu1 N5 138.96(11) . .
O1 U1 O2 173.29(11) . .
O1 U1 O2 101.39(10) . 3_666
O2 U1 O2 72.03(11) . 3_666
O1 U1 N2 91.83(11) . .
O2 U1 N2 94.36(11) . .
O2 U1 N2 144.05(10) 3_666 .
O1 U1 N3 93.49(11) . .
O2 U1 N3 91.00(11) . .
O2 U1 N3 140.22(11) 3_666 .
N2 U1 N3 70.65(11) . .
O1 U1 N4 74.90(11) . .
O2 U1 N4 102.51(11) . .
O2 U1 N4 82.47(10) 3_666 .
N2 U1 N4 133.44(11) . .
N3 U1 N4 66.03(11) . .
O1 U1 N1 73.10(11) . .
O2 U1 N1 107.09(11) . .
O2 U1 N1 85.58(10) 3_666 .
N2 U1 N1 66.37(11) . .
N3 U1 N1 134.18(11) . .
N4 U1 N1 142.73(10) . .
O1 U1 U1 133.63(8) . 3_666
O2 U1 U1 39.77(8) . 3_666
O2 U1 U1 32.26(6) 3_666 3_666
N2 U1 U1 125.95(8) . 3_666
N3 U1 U1 121.78(8) . 3_666
N4 U1 U1 91.91(7) . 3_666
N1 U1 U1 96.49(7) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.307(5) .
C1 C2 1.415(6) .
C1 H1 0.9500 .
C2 N2 1.395(5) .
C2 C3 1.399(6) .
C3 C4 1.388(6) .
C3 H3 0.9500 .
C4 C5 1.403(6) .
C4 H4 0.9500 .
C5 N2 1.355(5) .
C5 C6 1.517(6) .
C6 C9 1.521(6) .
C6 C8 1.544(6) .
C6 C7 1.550(6) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 N3 1.354(5) .
C9 C10 1.403(6) .
C10 C11 1.397(6) .
C10 H10 0.9500 .
C11 C12 1.390(6) .
C11 H11 0.9500 .
C12 N3 1.392(5) .
C12 C13 1.427(5) .
C13 N4 1.305(5) .
C13 H13 0.9500 .
C14 C15 1.398(6) .
C14 C21 1.399(6) .
C14 N4 1.427(5) .
C15 C16 1.385(6) .
C15 H15 0.9500 .
C16 C19 1.396(6) .
C16 C17 1.509(6) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C19 1.506(6) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.388(6) .
C20 C21 1.410(5) .
C20 H20 0.9500 .
C21 N5 1.430(5) .
C22 N5 1.309(5) .
C22 C23 1.411(6) .
C22 H22 0.9500 .
C23 N6 1.376(5) .
C23 C24 1.395(6) .
C24 C25 1.394(7) .
C24 H24 0.9500 .
C25 C26 1.412(6) .
C25 H25 0.9500 .
C26 N6 1.350(5) .
C26 C27 1.525(6) .
C27 C30 1.519(6) .
C27 C28 1.533(6) .
C27 C29 1.553(6) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 N7 1.354(5) .
C30 C31 1.405(6) .
C31 C32 1.389(7) .
C31 H31 0.9500 .
C32 C33 1.392(6) .
C32 H32 0.9500 .
C33 N7 1.390(5) .
C33 C34 1.415(6) .
C34 N8 1.304(6) .
C34 H34 0.9500 .
C35 C42 1.406(6) .
C35 C36 1.407(6) .
C35 N8 1.435(5) .
C36 C37 1.388(6) .
C36 H36 0.9500 .
C37 C40 1.396(6) .
C37 C38 1.508(6) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C40 1.512(6) .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C41 1.398(6) .
C41 C42 1.395(6) .
C41 H41 0.9500 .
C42 N1 1.422(5) .
C43 N9 1.345(7) .
C43 C44 1.386(8) .
C43 H43 0.9500 .
C44 C45 1.356(12) .
C44 H44 0.9500 .
C45 C46 1.365(12) .
C45 H45 0.9500 .
C46 C47 1.383(8) .
C46 H46 0.9500 .
C47 N9 1.334(7) .
C47 H47 0.9500 .
C48 N10 1.335(7) .
C48 C49 1.402(8) .
C48 H48 0.9500 .
C49 C50 1.361(12) .
C49 H49 0.9500 .
C50 C51 1.368(11) .
C50 H50 0.9500 .
C51 C52 1.383(8) .
C51 H51 0.9500 .
C52 N10 1.342(7) .
C52 H52 0.9500 .
C200 N200 1.317(11) .
C200 C201 1.375(12) .
C200 H200 0.9500 .
C201 C202 1.359(14) .
C201 H201 0.9500 .
C202 C203 1.363(13) .
C202 H202 0.9500 .
C203 C204 1.374(11) .
C203 H203 0.9500 .
C204 N200 1.315(10) .
C204 H204 0.9500 .
N1 U1 2.599(3) .
N2 U1 2.473(3) .
N3 U1 2.476(3) .
N4 U1 2.560(3) .
N5 Lu1 2.518(3) .
N6 Lu1 2.329(3) .
N7 Lu1 2.341(3) .
N8 Lu1 2.491(3) .
N9 Lu1 2.437(4) .
N10 Lu1 2.417(4) .
O1 U1 1.909(3) .
O1 Lu1 2.141(3) .
O2 U1 1.941(3) .
O2 U1 2.326(3) 3_666
U1 O2 2.326(3) 3_666
U1 U1 3.4588(3) 3_666
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
N1 C1 C2 N2 5.6(6) . .
N1 C1 C2 C3 -176.1(4) . .
N2 C2 C3 C4 -0.2(5) . .
C1 C2 C3 C4 -178.6(4) . .
C2 C3 C4 C5 0.1(5) . .
C3 C4 C5 N2 0.0(5) . .
C3 C4 C5 C6 -178.1(4) . .
N2 C5 C6 C9 54.0(5) . .
C4 C5 C6 C9 -128.1(4) . .
N2 C5 C6 C8 176.2(4) . .
C4 C5 C6 C8 -5.9(6) . .
N2 C5 C6 C7 -65.8(5) . .
C4 C5 C6 C7 112.1(5) . .
C5 C6 C9 N3 -49.8(5) . .
C8 C6 C9 N3 -171.8(4) . .
C7 C6 C9 N3 70.4(5) . .
C5 C6 C9 C10 132.5(4) . .
C8 C6 C9 C10 10.5(6) . .
C7 C6 C9 C10 -107.3(5) . .
N3 C9 C10 C11 -0.1(5) . .
C6 C9 C10 C11 177.8(4) . .
C9 C10 C11 C12 -0.1(5) . .
C10 C11 C12 N3 0.3(5) . .
C10 C11 C12 C13 177.8(4) . .
C11 C12 C13 N4 174.9(4) . .
N3 C12 C13 N4 -7.8(6) . .
C21 C14 C15 C16 1.1(6) . .
N4 C14 C15 C16 178.5(4) . .
C14 C15 C16 C19 -3.3(6) . .
C14 C15 C16 C17 175.8(4) . .
C15 C16 C19 C20 2.5(6) . .
C17 C16 C19 C20 -176.6(4) . .
C15 C16 C19 C18 -175.5(4) . .
C17 C16 C19 C18 5.5(6) . .
C16 C19 C20 C21 0.3(6) . .
C18 C19 C20 C21 178.3(4) . .
C15 C14 C21 C20 1.6(6) . .
N4 C14 C21 C20 -175.6(4) . .
C15 C14 C21 N5 178.9(4) . .
N4 C14 C21 N5 1.6(6) . .
C19 C20 C21 C14 -2.3(6) . .
C19 C20 C21 N5 -179.8(4) . .
N5 C22 C23 N6 -1.1(6) . .
N5 C22 C23 C24 -176.6(5) . .
N6 C23 C24 C25 0.0(6) . .
C22 C23 C24 C25 175.8(5) . .
C23 C24 C25 C26 0.7(6) . .
C24 C25 C26 N6 -1.2(6) . .
C24 C25 C26 C27 175.5(4) . .
N6 C26 C27 C30 -40.6(5) . .
C25 C26 C27 C30 143.1(4) . .
N6 C26 C27 C28 -163.4(4) . .
C25 C26 C27 C28 20.3(6) . .
N6 C26 C27 C29 79.7(5) . .
C25 C26 C27 C29 -96.5(5) . .
C26 C27 C30 N7 24.0(6) . .
C28 C27 C30 N7 147.2(4) . .
C29 C27 C30 N7 -96.0(5) . .
C26 C27 C30 C31 -157.9(4) . .
C28 C27 C30 C31 -34.7(6) . .
C29 C27 C30 C31 82.2(5) . .
N7 C30 C31 C32 0.0(6) . .
C27 C30 C31 C32 -178.4(4) . .
C30 C31 C32 C33 0.2(6) . .
C31 C32 C33 N7 -0.2(6) . .
C31 C32 C33 C34 -178.1(5) . .
N7 C33 C34 N8 8.9(6) . .
C32 C33 C34 N8 -173.4(5) . .
C42 C35 C36 C37 -3.8(6) . .
N8 C35 C36 C37 168.9(4) . .
C35 C36 C37 C40 0.7(6) . .
C35 C36 C37 C38 -176.1(4) . .
C36 C37 C40 C41 1.4(6) . .
C38 C37 C40 C41 178.1(4) . .
C36 C37 C40 C39 -179.3(4) . .
C38 C37 C40 C39 -2.5(6) . .
C37 C40 C41 C42 -0.3(6) . .
C39 C40 C41 C42 -179.7(4) . .
C40 C41 C42 C35 -2.8(6) . .
C40 C41 C42 N1 178.4(4) . .
C36 C35 C42 C41 4.7(6) . .
N8 C35 C42 C41 -167.6(4) . .
C36 C35 C42 N1 -176.5(4) . .
N8 C35 C42 N1 11.2(6) . .
N9 C43 C44 C45 1.8(9) . .
C43 C44 C45 C46 -1.6(10) . .
C44 C45 C46 C47 1.0(10) . .
C45 C46 C47 N9 -0.5(10) . .
N10 C48 C49 C50 0.6(9) . .
C48 C49 C50 C51 -1.6(9) . .
C49 C50 C51 C52 1.4(10) . .
C50 C51 C52 N10 0.0(9) . .
N200 C200 C201 C202 -0.5(14) . .
C200 C201 C202 C203 1.1(14) . .
C201 C202 C203 C204 -1.3(14) . .
C202 C203 C204 N200 0.9(13) . .
C2 C1 N1 C42 -164.1(3) . .
C2 C1 N1 U1 -18.6(5) . .
C41 C42 N1 C1 -133.7(4) . .
C35 C42 N1 C1 47.5(5) . .
C41 C42 N1 U1 83.5(4) . .
C35 C42 N1 U1 -95.3(4) . .
C4 C5 N2 C2 -0.1(4) . .
C6 C5 N2 C2 178.1(4) . .
C4 C5 N2 U1 163.2(3) . .
C6 C5 N2 U1 -18.5(6) . .
C3 C2 N2 C5 0.2(4) . .
C1 C2 N2 C5 178.8(3) . .
C3 C2 N2 U1 -167.0(3) . .
C1 C2 N2 U1 11.7(5) . .
C10 C9 N3 C12 0.3(5) . .
C6 C9 N3 C12 -177.8(4) . .
C10 C9 N3 U1 -172.1(3) . .
C6 C9 N3 U1 9.8(6) . .
C11 C12 N3 C9 -0.4(5) . .
C13 C12 N3 C9 -178.2(4) . .
C11 C12 N3 U1 173.7(3) . .
C13 C12 N3 U1 -4.1(5) . .
C12 C13 N4 C14 169.5(4) . .
C12 C13 N4 U1 15.2(5) . .
C15 C14 N4 C13 115.9(4) . .
C21 C14 N4 C13 -66.8(5) . .
C15 C14 N4 U1 -90.5(4) . .
C21 C14 N4 U1 86.7(4) . .
C23 C22 N5 C21 166.6(4) . .
C23 C22 N5 Lu1 12.5(5) . .
C14 C21 N5 C22 136.1(4) . .
C20 C21 N5 C22 -46.6(5) . .
C14 C21 N5 Lu1 -75.8(5) . .
C20 C21 N5 Lu1 101.5(4) . .
C25 C26 N6 C23 1.1(5) . .
C27 C26 N6 C23 -175.7(4) . .
C25 C26 N6 Lu1 -158.2(3) . .
C27 C26 N6 Lu1 25.0(6) . .
C24 C23 N6 C26 -0.7(5) . .
C22 C23 N6 C26 -176.9(4) . .
C24 C23 N6 Lu1 163.8(3) . .
C22 C23 N6 Lu1 -12.4(5) . .
C31 C30 N7 C33 -0.1(5) . .
C27 C30 N7 C33 178.3(4) . .
C31 C30 N7 Lu1 -167.9(3) . .
C27 C30 N7 Lu1 10.5(6) . .
C32 C33 N7 C30 0.2(5) . .
C34 C33 N7 C30 178.3(4) . .
C32 C33 N7 Lu1 170.9(3) . .
C34 C33 N7 Lu1 -11.0(5) . .
C33 C34 N8 C35 -163.9(4) . .
C33 C34 N8 Lu1 -2.3(5) . .
C42 C35 N8 C34 -129.5(4) . .
C36 C35 N8 C34 58.1(5) . .
C42 C35 N8 Lu1 71.5(5) . .
C36 C35 N8 Lu1 -100.9(4) . .
C46 C47 N9 C43 0.6(8) . .
C46 C47 N9 Lu1 178.7(5) . .
C44 C43 N9 C47 -1.2(7) . .
C44 C43 N9 Lu1 -179.4(4) . .
C49 C48 N10 C52 0.7(8) . .
C49 C48 N10 Lu1 -172.8(4) . .
C51 C52 N10 C48 -1.0(8) . .
C51 C52 N10 Lu1 172.6(5) . .
C203 C204 N200 C200 -0.2(11) . .
C201 C200 N200 C204 0.0(12) . .
U1 O1 Lu1 N6 71.2(12) . .
U1 O1 Lu1 N7 -64.7(12) . .
U1 O1 Lu1 N10 2.5(12) . .
U1 O1 Lu1 N9 179(100) . .
U1 O1 Lu1 N8 -105.1(12) . .
U1 O1 Lu1 N5 109.6(12) . .
C26 N6 Lu1 O1 -148.9(4) . .
C23 N6 Lu1 O1 52.9(4) . .
C26 N6 Lu1 N7 3.2(4) . .
C23 N6 Lu1 N7 -155.0(3) . .
C26 N6 Lu1 N10 -80.9(4) . .
C23 N6 Lu1 N10 120.9(3) . .
C26 N6 Lu1 N9 100.1(4) . .
C23 N6 Lu1 N9 -58.1(3) . .
C26 N6 Lu1 N8 25.5(5) . .
C23 N6 Lu1 N8 -132.7(3) . .
C26 N6 Lu1 N5 171.1(4) . .
C23 N6 Lu1 N5 12.9(3) . .
C30 N7 Lu1 O1 130.7(4) . .
C33 N7 Lu1 O1 -36.1(4) . .
C30 N7 Lu1 N6 -21.4(4) . .
C33 N7 Lu1 N6 171.8(3) . .
C30 N7 Lu1 N10 64.0(4) . .
C33 N7 Lu1 N10 -102.9(3) . .
C30 N7 Lu1 N9 -111.7(4) . .
C33 N7 Lu1 N9 81.4(3) . .
C30 N7 Lu1 N8 173.7(4) . .
C33 N7 Lu1 N8 6.9(3) . .
C30 N7 Lu1 N5 -40.1(5) . .
C33 N7 Lu1 N5 153.0(3) . .
C48 N10 Lu1 O1 -97.0(4) . .
C52 N10 Lu1 O1 89.6(4) . .
C48 N10 Lu1 N6 120.2(4) . .
C52 N10 Lu1 N6 -53.1(4) . .
C48 N10 Lu1 N7 46.1(4) . .
C52 N10 Lu1 N7 -127.2(4) . .
C48 N10 Lu1 N9 133.6(18) . .
C52 N10 Lu1 N9 -40(2) . .
C48 N10 Lu1 N8 -20.1(4) . .
C52 N10 Lu1 N8 166.6(4) . .
C48 N10 Lu1 N5 -171.8(3) . .
C52 N10 Lu1 N5 14.9(4) . .
C47 N9 Lu1 O1 -169.9(4) . .
C43 N9 Lu1 O1 8.1(4) . .
C47 N9 Lu1 N6 -27.8(4) . .
C43 N9 Lu1 N6 150.2(4) . .
C47 N9 Lu1 N7 45.8(4) . .
C43 N9 Lu1 N7 -136.2(3) . .
C47 N9 Lu1 N10 -41(2) . .
C43 N9 Lu1 N10 136.9(18) . .
C47 N9 Lu1 N8 113.0(4) . .
C43 N9 Lu1 N8 -69.0(3) . .
C47 N9 Lu1 N5 -96.7(4) . .
C43 N9 Lu1 N5 81.3(3) . .
C34 N8 Lu1 O1 151.0(3) . .
C35 N8 Lu1 O1 -49.3(3) . .
C34 N8 Lu1 N6 -25.3(4) . .
C35 N8 Lu1 N6 134.3(3) . .
C34 N8 Lu1 N7 -2.4(3) . .
C35 N8 Lu1 N7 157.2(3) . .
C34 N8 Lu1 N10 73.2(3) . .
C35 N8 Lu1 N10 -127.2(3) . .
C34 N8 Lu1 N9 -104.9(3) . .
C35 N8 Lu1 N9 54.7(3) . .
C34 N8 Lu1 N5 -151.1(3) . .
C35 N8 Lu1 N5 8.5(4) . .
C22 N5 Lu1 O1 -168.1(3) . .
C21 N5 Lu1 O1 42.6(3) . .
C22 N5 Lu1 N6 -13.2(3) . .
C21 N5 Lu1 N6 -162.5(3) . .
C22 N5 Lu1 N7 5.8(4) . .
C21 N5 Lu1 N7 -143.4(3) . .
C22 N5 Lu1 N10 -90.7(3) . .
C21 N5 Lu1 N10 120.0(3) . .
C22 N5 Lu1 N9 85.6(3) . .
C21 N5 Lu1 N9 -63.6(3) . .
C22 N5 Lu1 N8 133.3(3) . .
C21 N5 Lu1 N8 -15.9(4) . .
Lu1 O1 U1 O2 -166.6(9) . .
Lu1 O1 U1 O2 -177.5(12) . 3_666
Lu1 O1 U1 N2 36.1(12) . .
Lu1 O1 U1 N3 -34.6(12) . .
Lu1 O1 U1 N4 -98.6(12) . .
Lu1 O1 U1 N1 100.7(12) . .
Lu1 O1 U1 U1 -176.5(11) . 3_666
U1 O2 U1 O1 -11.2(11) 3_666 .
U1 O2 U1 O2 0.0 3_666 3_666
U1 O2 U1 N2 145.97(12) 3_666 .
U1 O2 U1 N3 -143.35(13) 3_666 .
U1 O2 U1 N4 -77.70(13) 3_666 .
U1 O2 U1 N1 79.37(13) 3_666 .
C5 N2 U1 O1 -105.8(4) . .
C2 N2 U1 O1 56.3(3) . .
C5 N2 U1 O2 76.8(4) . .
C2 N2 U1 O2 -121.1(3) . .
C5 N2 U1 O2 141.9(3) . 3_666
C2 N2 U1 O2 -56.0(3) . 3_666
C5 N2 U1 N3 -12.7(4) . .
C2 N2 U1 N3 149.4(3) . .
C5 N2 U1 N4 -34.9(4) . .
C2 N2 U1 N4 127.1(3) . .
C5 N2 U1 N1 -176.4(4) . .
C2 N2 U1 N1 -14.3(3) . .
C5 N2 U1 U1 103.1(4) . 3_666
C2 N2 U1 U1 -94.8(3) . 3_666
C9 N3 U1 O1 108.0(4) . .
C12 N3 U1 O1 -63.9(3) . .
C9 N3 U1 O2 -77.0(4) . .
C12 N3 U1 O2 111.2(3) . .
C9 N3 U1 O2 -139.6(4) . 3_666
C12 N3 U1 O2 48.6(4) . 3_666
C9 N3 U1 N2 17.2(4) . .
C12 N3 U1 N2 -154.6(3) . .
C9 N3 U1 N4 179.7(4) . .
C12 N3 U1 N4 7.9(3) . .
C9 N3 U1 N1 38.2(5) . .
C12 N3 U1 N1 -133.6(3) . .
C9 N3 U1 U1 -103.7(4) . 3_666
C12 N3 U1 U1 84.5(3) . 3_666
C13 N4 U1 O1 88.9(3) . .
C14 N4 U1 O1 -65.3(3) . .
C13 N4 U1 O2 -97.5(3) . .
C14 N4 U1 O2 108.3(3) . .
C13 N4 U1 O2 -167.1(3) . 3_666
C14 N4 U1 O2 38.7(3) . 3_666
C13 N4 U1 N2 11.0(3) . .
C14 N4 U1 N2 -143.2(3) . .
C13 N4 U1 N3 -12.0(3) . .
C14 N4 U1 N3 -166.2(3) . .
C13 N4 U1 N1 120.4(3) . .
C14 N4 U1 N1 -33.8(4) . .
C13 N4 U1 U1 -136.2(3) . 3_666
C14 N4 U1 U1 69.6(3) . 3_666
C1 N1 U1 O1 -82.9(3) . .
C42 N1 U1 O1 61.2(3) . .
C1 N1 U1 O2 104.1(3) . .
C42 N1 U1 O2 -111.8(3) . .
C1 N1 U1 O2 173.8(3) . 3_666
C42 N1 U1 O2 -42.1(3) . 3_666
C1 N1 U1 N2 16.9(3) . .
C42 N1 U1 N2 161.0(3) . .
C1 N1 U1 N3 -4.8(3) . .
C42 N1 U1 N3 139.3(3) . .
C1 N1 U1 N4 -114.8(3) . .
C42 N1 U1 N4 29.3(4) . .
C1 N1 U1 U1 143.4(3) . 3_666
C42 N1 U1 U1 -72.5(3) . 3_666
