#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/88/4078809.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_4078809
loop_
_publ_author_name
'Tolpygin, Aleksei O.'
'Shavyrin, Andrei S.'
'Cherkasov, Anton V.'
'Fukin, Georgy K.'
'Trifonov, Alexander A.'
_publ_section_title
;
 Chloro and Alkyl Rare-Earth Complexes Supported byansa-Bis(amidinate)
 Ligands with a Rigido-Phenylene Linker. Ligand Steric Bulk: A Means of
 Stabilization or Destabilization?
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              5405
_journal_paper_doi               10.1021/om3004306
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C42 H60 Cl Lu N4 O2.5'
_chemical_formula_weight         871.36
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 122.595(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.2595(18)
_cell_length_b                   13.9049(4)
_cell_length_c                   20.5482(10)
_cell_measurement_reflns_used    21968
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     8006.2(9)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'SHELXTL  (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL (Sheldrick, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'omega scans'
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0235
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            56379
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    2.574
_exptl_absorpt_correction_T_max  0.8206
_exptl_absorpt_correction_T_min  0.6988
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SCALE3 ABSPACK,CrysAlisPro, Agilent Technologies (2012)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.318
_refine_diff_density_min         -1.260
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         7859
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0354
_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)+(0.0315P)²+76.8240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                6658
_reflns_number_total             7859
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om3004306_si_001.cif
_cod_data_source_block           bisamlu
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        8006.2(6)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C42 H60 Cl Lu N4 O2.50'
_cod_database_code               4078809
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Lu1 Lu 0.124127(4) 0.594318(9) 0.526729(6) 0.01175(3) Uani 1 1 d .
Cl1 Cl 0.10794(2) 0.53853(5) 0.63002(4) 0.01850(16) Uani 1 1 d .
O1 O 0.04478(6) 0.61734(16) 0.43888(10) 0.0164(5) Uani 1 1 d .
N1 N 0.11896(7) 0.42953(18) 0.48875(12) 0.0140(5) Uani 1 1 d .
C1 C 0.10526(9) 0.3404(2) 0.50349(15) 0.0153(6) Uani 1 1 d .
N2 N 0.13703(7) 0.54146(17) 0.43253(12) 0.0109(5) Uani 1 1 d .
O2 O 0.20641(6) 0.58212(16) 0.61387(11) 0.0176(5) Uani 1 1 d .
C2 C 0.13748(9) 0.2871(2) 0.57034(15) 0.0184(7) Uani 1 1 d .
N3 N 0.13885(7) 0.71814(18) 0.46901(12) 0.0131(5) Uani 1 1 d .
C3 C 0.12308(10) 0.1996(2) 0.58328(17) 0.0245(7) Uani 1 1 d .
H3A H 0.1450 0.1625 0.6271 0.029 Uiso 1 1 calc R
N4 N 0.13057(7) 0.75914(18) 0.56462(12) 0.0131(5) Uani 1 1 d .
C4 C 0.07734(11) 0.1653(3) 0.53347(18) 0.0284(7) Uani 1 1 d .
H4A H 0.0681 0.1045 0.5424 0.034 Uiso 1 1 calc R
C5 C 0.04521(10) 0.2201(2) 0.47067(17) 0.0253(7) Uani 1 1 d .
H5A H 0.0136 0.1971 0.4373 0.030 Uiso 1 1 calc R
C6 C 0.05812(10) 0.3083(2) 0.45512(16) 0.0202(7) Uani 1 1 d .
C7 C 0.18697(11) 0.3245(3) 0.62524(18) 0.0267(8) Uani 1 1 d .
H7A H 0.2040 0.2806 0.6693 0.040 Uiso 1 1 calc R
H7B H 0.1852 0.3884 0.6436 0.040 Uiso 1 1 calc R
H7C H 0.2041 0.3288 0.5987 0.040 Uiso 1 1 calc R
C8 C 0.02190(10) 0.3678(3) 0.38755(18) 0.0260(8) Uani 1 1 d .
H8A H 0.0240 0.4348 0.4038 0.039 Uiso 1 1 calc R
H8B H -0.0102 0.3429 0.3685 0.039 Uiso 1 1 calc R
H8C H 0.0283 0.3644 0.3463 0.039 Uiso 1 1 calc R
C9 C 0.13290(9) 0.4453(2) 0.43960(15) 0.0152(7) Uani 1 1 d .
C10 C 0.14478(10) 0.3687(2) 0.39780(16) 0.0179(7) Uani 1 1 d .
C11 C 0.19573(10) 0.3910(2) 0.41650(17) 0.0224(7) Uani 1 1 d .
H11A H 0.2194 0.3708 0.4695 0.034 Uiso 1 1 calc R
H11B H 0.1988 0.4603 0.4114 0.034 Uiso 1 1 calc R
H11C H 0.2011 0.3561 0.3804 0.034 Uiso 1 1 calc R
C12 C 0.10507(10) 0.3722(3) 0.31041(16) 0.0222(7) Uani 1 1 d .
H12A H 0.0776 0.3343 0.3010 0.033 Uiso 1 1 calc R
H12B H 0.1174 0.3455 0.2803 0.033 Uiso 1 1 calc R
H12C H 0.0952 0.4391 0.2948 0.033 Uiso 1 1 calc R
C13 C 0.14717(11) 0.2637(2) 0.42352(18) 0.0275(8) Uani 1 1 d .
H13A H 0.1158 0.2440 0.4124 0.041 Uiso 1 1 calc R
H13B H 0.1707 0.2583 0.4791 0.041 Uiso 1 1 calc R
H13C H 0.1565 0.2220 0.3954 0.041 Uiso 1 1 calc R
C14 C 0.14425(8) 0.6044(2) 0.38747(14) 0.0127(6) Uani 1 1 d .
C15 C 0.14822(9) 0.5855(2) 0.32393(15) 0.0170(7) Uani 1 1 d .
H15A H 0.1486 0.5205 0.3101 0.020 Uiso 1 1 calc R
C16 C 0.15161(9) 0.6576(2) 0.28053(15) 0.0187(7) Uani 1 1 d .
H16A H 0.1555 0.6416 0.2393 0.022 Uiso 1 1 calc R
C17 C 0.14938(10) 0.7529(2) 0.29755(16) 0.0215(7) Uani 1 1 d .
H17A H 0.1501 0.8026 0.2665 0.026 Uiso 1 1 calc R
C18 C 0.14607(10) 0.7753(2) 0.36050(16) 0.0194(7) Uani 1 1 d .
H18A H 0.1444 0.8409 0.3717 0.023 Uiso 1 1 calc R
C19 C 0.14522(9) 0.7041(2) 0.40773(14) 0.0140(6) Uani 1 1 d .
C20 C 0.14618(9) 0.7886(2) 0.51974(14) 0.0126(6) Uani 1 1 d .
C21 C 0.17338(10) 0.8838(2) 0.53115(16) 0.0182(7) Uani 1 1 d .
C22 C 0.19156(11) 0.9316(3) 0.60954(18) 0.0320(8) Uani 1 1 d .
H22A H 0.1643 0.9532 0.6119 0.048 Uiso 1 1 calc R
H22B H 0.2116 0.9869 0.6158 0.048 Uiso 1 1 calc R
H22C H 0.2104 0.8851 0.6510 0.048 Uiso 1 1 calc R
C23 C 0.14157(11) 0.9583(2) 0.46883(18) 0.0262(8) Uani 1 1 d .
H23A H 0.1226 0.9931 0.4846 0.039 Uiso 1 1 calc R
H23B H 0.1202 0.9253 0.4197 0.039 Uiso 1 1 calc R
H23C H 0.1617 1.0039 0.4625 0.039 Uiso 1 1 calc R
C24 C 0.21878(9) 0.8601(2) 0.53111(17) 0.0205(7) Uani 1 1 d .
H24A H 0.2404 0.8209 0.5765 0.031 Uiso 1 1 calc R
H24B H 0.2348 0.9200 0.5328 0.031 Uiso 1 1 calc R
H24C H 0.2099 0.8245 0.4841 0.031 Uiso 1 1 calc R
C25 C 0.11532(9) 0.8185(2) 0.60326(15) 0.0148(6) Uani 1 1 d .
C26 C 0.07448(9) 0.8763(2) 0.56100(16) 0.0180(7) Uani 1 1 d .
C27 C 0.05928(10) 0.9314(2) 0.60049(18) 0.0214(7) Uani 1 1 d .
H27A H 0.0321 0.9715 0.5719 0.026 Uiso 1 1 calc R
C28 C 0.08273(10) 0.9290(2) 0.68017(18) 0.0254(7) Uani 1 1 d .
H28A H 0.0723 0.9682 0.7062 0.031 Uiso 1 1 calc R
C29 C 0.12163(10) 0.8688(2) 0.72130(16) 0.0223(7) Uani 1 1 d .
H29A H 0.1373 0.8653 0.7759 0.027 Uiso 1 1 calc R
C30 C 0.13826(9) 0.8129(2) 0.68405(15) 0.0177(7) Uani 1 1 d .
C31 C 0.04564(10) 0.8789(2) 0.47363(17) 0.0231(8) Uani 1 1 d .
H31A H 0.0548 0.8246 0.4539 0.035 Uiso 1 1 calc R
H31B H 0.0519 0.9393 0.4560 0.035 Uiso 1 1 calc R
H31C H 0.0116 0.8745 0.4544 0.035 Uiso 1 1 calc R
C32 C 0.18101(10) 0.7493(2) 0.73059(16) 0.0206(7) Uani 1 1 d .
H32A H 0.1964 0.7648 0.7855 0.031 Uiso 1 1 calc R
H32B H 0.2036 0.7598 0.7146 0.031 Uiso 1 1 calc R
H32C H 0.1709 0.6819 0.7220 0.031 Uiso 1 1 calc R
C33 C 0.00771(9) 0.6338(3) 0.45607(16) 0.0197(7) Uani 1 1 d .
H33A H 0.0185 0.6823 0.4975 0.024 Uiso 1 1 calc R
H33B H 0.0003 0.5733 0.4729 0.024 Uiso 1 1 calc R
C34 C -0.03587(9) 0.6699(2) 0.38113(16) 0.0202(7) Uani 1 1 d .
H34A H -0.0363 0.7410 0.3784 0.024 Uiso 1 1 calc R
H34B H -0.0658 0.6474 0.3756 0.024 Uiso 1 1 calc R
C35 C -0.02909(10) 0.6250(3) 0.31970(17) 0.0238(8) Uani 1 1 d .
H35A H -0.0399 0.5573 0.3096 0.029 Uiso 1 1 calc R
H35B H -0.0466 0.6616 0.2707 0.029 Uiso 1 1 calc R
C36 C 0.02415(10) 0.6320(3) 0.35613(15) 0.0216(7) Uani 1 1 d .
H36A H 0.0353 0.5819 0.3353 0.026 Uiso 1 1 calc R
H36B H 0.0330 0.6960 0.3464 0.026 Uiso 1 1 calc R
C37 C 0.23614(10) 0.5637(3) 0.69645(16) 0.0217(8) Uani 1 1 d .
H37A H 0.2181 0.5275 0.7141 0.026 Uiso 1 1 calc R
H37B H 0.2474 0.6248 0.7256 0.026 Uiso 1 1 calc R
C38 C 0.27825(9) 0.5043(2) 0.70836(16) 0.0200(7) Uani 1 1 d .
H38A H 0.2748 0.4360 0.7182 0.024 Uiso 1 1 calc R
H38B H 0.3087 0.5293 0.7524 0.024 Uiso 1 1 calc R
C39 C 0.27642(10) 0.5152(2) 0.63202(16) 0.0215(7) Uani 1 1 d .
H39A H 0.3080 0.5335 0.6419 0.026 Uiso 1 1 calc R
H39B H 0.2658 0.4547 0.6018 0.026 Uiso 1 1 calc R
C40 C 0.24026(9) 0.5948(3) 0.59033(17) 0.0229(8) Uani 1 1 d .
H40A H 0.2557 0.6587 0.6061 0.027 Uiso 1 1 calc R
H40B H 0.2242 0.5882 0.5337 0.027 Uiso 1 1 calc R
O1S O 0.0000 0.8648(5) 0.7500 0.087(2) Uani 1 2 d S
C1S C 0.03530(16) 0.9349(3) 0.8133(2) 0.0485(12) Uani 1 1 d .
H1SA H 0.0309 0.9342 0.8573 0.058 Uiso 1 1 calc R
H1SB H 0.0685 0.9157 0.8324 0.058 Uiso 1 1 calc R
C2S C 0.0263(2) 1.0251(4) 0.7813(3) 0.0837(17) Uani 1 1 d U
H2SA H 0.0459 1.0377 0.7591 0.100 Uiso 1 1 calc R
H2SB H 0.0335 1.0749 0.8206 0.100 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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
O1 Lu1 N3 87.91(7) . .
O1 Lu1 N2 92.26(7) . .
N3 Lu1 N2 67.54(9) . .
O1 Lu1 O2 175.63(8) . .
N3 Lu1 O2 87.85(7) . .
N2 Lu1 O2 87.11(7) . .
O1 Lu1 N4 89.18(7) . .
N3 Lu1 N4 56.04(9) . .
N2 Lu1 N4 123.46(9) . .
O2 Lu1 N4 87.56(7) . .
O1 Lu1 N1 91.55(7) . .
N3 Lu1 N1 123.25(9) . .
N2 Lu1 N1 55.78(9) . .
O2 Lu1 N1 91.67(7) . .
N4 Lu1 N1 178.96(8) . .
O1 Lu1 Cl1 91.61(6) . .
N3 Lu1 Cl1 148.45(6) . .
N2 Lu1 Cl1 143.94(6) . .
O2 Lu1 Cl1 91.44(6) . .
N4 Lu1 Cl1 92.42(6) . .
N1 Lu1 Cl1 88.30(6) . .
O1 Lu1 C20 92.69(7) . .
N3 Lu1 C20 28.32(8) . .
N2 Lu1 C20 95.22(9) . .
O2 Lu1 C20 83.06(7) . .
N4 Lu1 C20 28.33(9) . .
N1 Lu1 C20 150.84(9) . .
Cl1 Lu1 C20 120.38(6) . .
O1 Lu1 C9 94.08(7) . .
N3 Lu1 C9 95.64(9) . .
N2 Lu1 C9 28.11(9) . .
O2 Lu1 C9 87.40(7) . .
N4 Lu1 C9 151.40(9) . .
N1 Lu1 C9 27.79(9) . .
Cl1 Lu1 C9 115.84(7) . .
C20 Lu1 C9 123.07(9) . .
C36 O1 C33 109.13(19) . .
C36 O1 Lu1 123.87(17) . .
C33 O1 Lu1 126.45(15) . .
C9 N1 C1 126.2(3) . .
C9 N1 Lu1 95.50(19) . .
C1 N1 Lu1 138.2(2) . .
C6 C1 N1 119.7(2) . .
C6 C1 C2 119.7(3) . .
N1 C1 C2 120.4(2) . .
C9 N2 C14 139.1(3) . .
C9 N2 Lu1 98.50(19) . .
C14 N2 Lu1 122.32(19) . .
C37 O2 C40 104.3(2) . .
C37 O2 Lu1 133.42(19) . .
C40 O2 Lu1 122.25(15) . .
C3 C2 C1 119.2(2) . .
C3 C2 C7 120.8(3) . .
C1 C2 C7 120.0(3) . .
C20 N3 C19 138.0(3) . .
C20 N3 Lu1 98.35(18) . .
C19 N3 Lu1 122.7(2) . .
C4 C3 C2 121.2(3) . .
C20 N4 C25 126.5(3) . .
C20 N4 Lu1 93.93(18) . .
C25 N4 Lu1 138.17(19) . .
C5 C4 C3 119.4(3) . .
C4 C5 C6 121.5(3) . .
C5 C6 C1 118.9(3) . .
C5 C6 C8 120.2(3) . .
C1 C6 C8 120.9(3) . .
N1 C9 N2 109.8(3) . .
N1 C9 C10 127.1(3) . .
N2 C9 C10 123.1(3) . .
N1 C9 Lu1 56.71(16) . .
N2 C9 Lu1 53.39(15) . .
C10 C9 Lu1 172.27(18) . .
C13 C10 C9 116.3(3) . .
C13 C10 C11 104.9(2) . .
C9 C10 C11 107.2(2) . .
C13 C10 C12 106.3(2) . .
C9 C10 C12 107.9(2) . .
C11 C10 C12 114.5(3) . .
N2 C14 C15 129.7(3) . .
N2 C14 C19 113.5(3) . .
C15 C14 C19 116.7(3) . .
C16 C15 C14 122.9(3) . .
C17 C16 C15 119.8(3) . .
C16 C17 C18 119.5(3) . .
C17 C18 C19 121.8(3) . .
C18 C19 N3 126.5(3) . .
C18 C19 C14 119.1(3) . .
N3 C19 C14 113.8(3) . .
N4 C20 N3 109.4(3) . .
N4 C20 C21 124.6(3) . .
N3 C20 C21 125.7(3) . .
N4 C20 Lu1 57.74(15) . .
N3 C20 Lu1 53.33(15) . .
C21 C20 Lu1 163.15(17) . .
C22 C21 C23 106.7(3) . .
C22 C21 C24 105.1(2) . .
C23 C21 C24 112.1(3) . .
C22 C21 C20 113.4(3) . .
C23 C21 C20 111.4(2) . .
C24 C21 C20 108.0(2) . .
C26 C25 C30 119.4(3) . .
C26 C25 N4 120.4(2) . .
C30 C25 N4 119.9(2) . .
C27 C26 C25 119.2(3) . .
C27 C26 C31 118.8(3) . .
C25 C26 C31 122.0(3) . .
C28 C27 C26 121.8(3) . .
C29 C28 C27 118.9(3) . .
C28 C29 C30 121.2(3) . .
C29 C30 C25 119.5(3) . .
C29 C30 C32 119.8(3) . .
C25 C30 C32 120.7(3) . .
O1 C33 C34 105.8(2) . .
C33 C34 C35 102.5(2) . .
C36 C35 C34 102.7(2) . .
O1 C36 C35 104.9(3) . .
O2 C37 C38 105.7(3) . .
C37 C38 C39 104.7(2) . .
C40 C39 C38 103.3(3) . .
O2 C40 C39 104.1(3) . .
C1S O1S C1S 101.5(5) 2_556 .
C2S C1S O1S 107.7(4) . .
C1S C2S C2S 105.1(4) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Lu1 O1 2.2788(17) .
Lu1 N3 2.288(3) .
Lu1 N2 2.316(2) .
Lu1 O2 2.3333(17) .
Lu1 N4 2.393(3) .
Lu1 N1 2.397(3) .
Lu1 Cl1 2.5744(8) .
Lu1 C20 2.823(3) .
Lu1 C9 2.854(3) .
O1 C36 1.465(3) .
O1 C33 1.472(4) .
N1 C9 1.337(4) .
N1 C1 1.408(4) .
C1 C6 1.402(4) .
C1 C2 1.414(4) .
N2 C9 1.360(4) .
N2 C14 1.386(4) .
O2 C37 1.454(3) .
O2 C40 1.456(4) .
C2 C3 1.385(5) .
C2 C7 1.500(4) .
N3 C20 1.354(4) .
N3 C19 1.398(4) .
C3 C4 1.383(4) .
N4 C20 1.343(4) .
N4 C25 1.416(4) .
C4 C5 1.379(4) .
C5 C6 1.393(5) .
C6 C8 1.503(4) .
C9 C10 1.547(4) .
C10 C13 1.540(5) .
C10 C11 1.554(4) .
C10 C12 1.554(4) .
C14 C15 1.406(4) .
C14 C19 1.442(4) .
C15 C16 1.386(4) .
C16 C17 1.382(5) .
C17 C18 1.391(5) .
C18 C19 1.398(4) .
C20 C21 1.549(4) .
C21 C22 1.534(4) .
C21 C23 1.540(4) .
C21 C24 1.546(4) .
C25 C26 1.405(4) .
C25 C30 1.407(4) .
C26 C27 1.393(5) .
C26 C31 1.513(4) .
C27 C28 1.384(4) .
C28 C29 1.383(4) .
C29 C30 1.397(5) .
C30 C32 1.501(4) .
C33 C34 1.523(4) .
C34 C35 1.530(5) .
C35 C36 1.509(4) .
C37 C38 1.528(4) .
C38 C39 1.544(4) .
C39 C40 1.515(4) .
O1S C1S 1.541(6) 2_556
O1S C1S 1.541(6) .
C1S C2S 1.372(8) .
C2S C2S 1.514(11) 2_556
