#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318701.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_4318701
loop_
_publ_author_name
'Raquel Rodríguez-Cortiñas'
'Fernando Avecilla'
'Carlos Platas-Iglesias'
'Daniel Imbert'
'Jean-Claude G. Bünzli'
'Andrés de Blas'
'Teresa Rodríguez-Blas'
_publ_section_title
;
 Structural and Photophysical Properties of Heterobimetallic 4f-Zn
 Iminophenolate Cryptates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5336
_journal_page_last               5349
_journal_paper_doi               10.1021/ic025587s
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C40 H54 Lu N10 O12.5 Zn'
_chemical_formula_weight         1115.27
_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                 104.626(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.002(10)
_cell_length_b                   10.984(3)
_cell_length_c                   25.501(8)
_cell_measurement_temperature    150(2)
_cell_volume                     8944(5)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.1044
_diffrn_reflns_av_sigmaI/netI    0.1749
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            26365
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    2.805
_exptl_absorpt_correction_T_max  0.8961
_exptl_absorpt_correction_T_min  0.4490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            Pale_yellow
_exptl_crystal_density_diffrn    1.656
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4520
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.879
_refine_diff_density_min         -2.235
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         10750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.1392
_refine_ls_R_factor_gt           0.0582
_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)+(0.0727P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1653
_reflns_number_gt                5652
_reflns_number_total             10750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025587s_s1_2.cif
_cod_data_source_block           compoundZn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C40 H54 Lu N10 O12.50 Zn'
_cod_database_code               4318701
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Lu1 Lu 0.141433(12) 0.17199(3) 0.439741(16) 0.01823(12) Uani 1 1 d . . .
Zn1 Zn 0.14543(3) 0.06350(9) 0.56035(4) 0.0191(2) Uani 1 1 d . . .
N1 N 0.1433(2) -0.0289(7) 0.6755(3) 0.0253(18) Uani 1 1 d . . .
C1 C 0.1584(3) -0.1511(8) 0.6712(4) 0.025(2) Uani 1 1 d . . .
H1A H 0.1438 -0.2079 0.6905 0.030 Uiso 1 1 calc R . .
H1B H 0.1887 -0.1547 0.6889 0.030 Uiso 1 1 calc R . .
O1 O 0.0050(2) 0.1465(8) 0.3758(4) 0.061(3) Uani 1 1 d . . .
N2 N 0.0845(2) 0.0372(7) 0.5746(3) 0.0219(17) Uani 1 1 d . . .
C2 C 0.1510(3) -0.1911(8) 0.6127(4) 0.024(2) Uani 1 1 d . . .
H2A H 0.1618 -0.2748 0.6113 0.029 Uiso 1 1 calc R . .
H2B H 0.1206 -0.1919 0.5953 0.029 Uiso 1 1 calc R . .
O2 O 0.0430(3) 0.2252(8) 0.4498(4) 0.055(2) Uani 1 1 d . . .
N3 N 0.1731(2) 0.1723(7) 0.6260(3) 0.0215(16) Uani 1 1 d . . .
O3 O 0.07176(17) 0.1628(6) 0.3872(3) 0.0267(15) Uani 1 1 d . . .
C3 C 0.2074(3) -0.1462(8) 0.5755(4) 0.024(2) Uani 1 1 d . . .
H3 H 0.2167 -0.2218 0.5924 0.029 Uiso 1 1 calc R . .
O4 O 0.13963(19) 0.2507(5) 0.5188(3) 0.0234(15) Uani 1 1 d . . .
N4 N 0.1724(2) -0.1071(7) 0.5826(3) 0.0223(17) Uani 1 1 d . . .
C4 C 0.2347(3) -0.0929(8) 0.5458(4) 0.021(2) Uani 1 1 d . . .
O5 O 0.18975(18) 0.0759(5) 0.5096(2) 0.0205(14) Uani 1 1 d . . .
C5 C 0.2721(3) -0.1510(7) 0.5496(4) 0.020(2) Uani 1 1 d . . .
H5 H 0.2787 -0.2189 0.5733 0.024 Uiso 1 1 calc R . .
N5 N 0.2122(2) 0.2148(6) 0.4329(3) 0.0190(16) Uani 1 1 d . . .
O6 O 0.11310(18) 0.0286(5) 0.4807(2) 0.0225(14) Uani 1 1 d . . .
N6 N 0.1183(2) 0.3839(7) 0.4208(3) 0.0229(18) Uani 1 1 d . . .
C6 C 0.3008(3) -0.1169(8) 0.5209(4) 0.021(2) Uani 1 1 d . . .
N7 N 0.1354(2) -0.0060(7) 0.3826(3) 0.0231(17) Uani 1 1 d . . .
C7 C 0.2903(3) -0.0148(8) 0.4878(4) 0.023(2) Uani 1 1 d . . .
H7 H 0.3095 0.0130 0.4684 0.028 Uiso 1 1 calc R . .
N8 N 0.1429(2) 0.2337(7) 0.3420(3) 0.0223(17) Uani 1 1 d . . .
C8 C 0.2530(3) 0.0480(8) 0.4819(4) 0.020(2) Uani 1 1 d . . .
C9 C 0.2241(3) 0.0132(7) 0.5126(3) 0.0167(18) Uani 1 1 d . . .
N9 N 0.0396(3) 0.1773(8) 0.4049(4) 0.036(2) Uani 1 1 d . . .
C10 C 0.3413(3) -0.1861(9) 0.5274(4) 0.033(2) Uani 1 1 d . . .
H10A H 0.3618 -0.1575 0.5600 0.049 Uiso 1 1 calc R . .
H10B H 0.3523 -0.1725 0.4956 0.049 Uiso 1 1 calc R . .
H10C H 0.3362 -0.2732 0.5310 0.049 Uiso 1 1 calc R . .
C11 C 0.2462(3) 0.1542(8) 0.4473(4) 0.023(2) Uani 1 1 d . . .
H11 H 0.2691 0.1814 0.4342 0.028 Uiso 1 1 calc R . .
C12 C 0.2119(3) 0.3169(8) 0.3946(4) 0.023(2) Uani 1 1 d . . .
H12A H 0.2408 0.3342 0.3922 0.028 Uiso 1 1 calc R . .
H12B H 0.2006 0.3912 0.4079 0.028 Uiso 1 1 calc R . .
C13 C 0.1845(3) 0.2820(9) 0.3387(4) 0.025(2) Uani 1 1 d . . .
H13A H 0.1802 0.3545 0.3149 0.030 Uiso 1 1 calc R . .
H13B H 0.1991 0.2196 0.3223 0.030 Uiso 1 1 calc R . .
C14 C 0.1722(3) 0.0579(8) 0.7086(4) 0.023(2) Uani 1 1 d . . .
H14A H 0.1902 0.0157 0.7404 0.027 Uiso 1 1 calc R . .
H14B H 0.1562 0.1218 0.7220 0.027 Uiso 1 1 calc R . .
C15 C 0.1995(3) 0.1163(9) 0.6755(4) 0.022(2) Uani 1 1 d . . .
H15A H 0.2176 0.1792 0.6975 0.027 Uiso 1 1 calc R . .
H15B H 0.2178 0.0537 0.6654 0.027 Uiso 1 1 calc R . .
C16 C 0.1597(3) 0.2808(8) 0.6343(4) 0.020(2) Uani 1 1 d . . .
H16 H 0.1696 0.3125 0.6699 0.024 Uiso 1 1 calc R . .
C17 C 0.1317(3) 0.3583(7) 0.5955(4) 0.025(2) Uani 1 1 d . . .
C18 C 0.1127(3) 0.4556(8) 0.6163(4) 0.024(2) Uani 1 1 d . . .
H18 H 0.1192 0.4655 0.6545 0.028 Uiso 1 1 calc R . .
C19 C 0.0860(3) 0.5360(8) 0.5852(4) 0.023(2) Uani 1 1 d . . .
C20 C 0.0808(3) 0.5255(8) 0.5294(4) 0.023(2) Uani 1 1 d . . .
H20 H 0.0633 0.5826 0.5063 0.028 Uiso 1 1 calc R . .
C21 C 0.1002(3) 0.4348(8) 0.5059(4) 0.022(2) Uani 1 1 d . . .
C22 C 0.1242(3) 0.3439(7) 0.5390(4) 0.0184(19) Uani 1 1 d . . .
C23 C 0.0626(3) 0.6292(8) 0.6092(5) 0.031(2) Uani 1 1 d . . .
H23A H 0.0483 0.5890 0.6338 0.047 Uiso 1 1 calc R . .
H23B H 0.0419 0.6698 0.5801 0.047 Uiso 1 1 calc R . .
H23C H 0.0823 0.6896 0.6294 0.047 Uiso 1 1 calc R . .
C24 C 0.0977(3) 0.4479(8) 0.4485(4) 0.022(2) Uani 1 1 d . . .
H24 H 0.0794 0.5087 0.4293 0.027 Uiso 1 1 calc R . .
C25 C 0.1150(3) 0.4305(9) 0.3647(4) 0.030(2) Uani 1 1 d . . .
H25A H 0.0904 0.4849 0.3540 0.035 Uiso 1 1 calc R . .
H25B H 0.1403 0.4791 0.3648 0.035 Uiso 1 1 calc R . .
C26 C 0.1109(3) 0.3303(9) 0.3241(4) 0.027(2) Uani 1 1 d . . .
H26A H 0.0826 0.2938 0.3178 0.032 Uiso 1 1 calc R . .
H26B H 0.1136 0.3647 0.2893 0.032 Uiso 1 1 calc R . .
C27 C 0.0983(3) -0.0136(8) 0.6718(4) 0.022(2) Uani 1 1 d . . .
H27A H 0.0947 0.0165 0.7069 0.026 Uiso 1 1 calc R . .
H27B H 0.0841 -0.0936 0.6645 0.026 Uiso 1 1 calc R . .
C28 C 0.0778(3) 0.0752(8) 0.6273(4) 0.023(2) Uani 1 1 d . . .
H28A H 0.0474 0.0794 0.6246 0.028 Uiso 1 1 calc R . .
H28B H 0.0897 0.1575 0.6365 0.028 Uiso 1 1 calc R . .
C29 C 0.0564(3) -0.0307(8) 0.5454(4) 0.023(2) Uani 1 1 d . . .
H29 H 0.0325 -0.0449 0.5591 0.028 Uiso 1 1 calc R . .
C30 C 0.0558(3) -0.0892(8) 0.4944(4) 0.021(2) Uani 1 1 d . . .
C31 C 0.0259(3) -0.1773(8) 0.4756(4) 0.024(2) Uani 1 1 d . . .
H31 H 0.0064 -0.1956 0.4963 0.029 Uiso 1 1 calc R . .
C32 C 0.0230(3) -0.2403(8) 0.4275(4) 0.028(2) Uani 1 1 d . . .
C33 C 0.0517(3) -0.2093(8) 0.3977(4) 0.029(2) Uani 1 1 d . . .
H33 H 0.0507 -0.2517 0.3649 0.034 Uiso 1 1 calc R . .
C34 C 0.0816(3) -0.1189(8) 0.4140(4) 0.022(2) Uani 1 1 d . . .
C35 C 0.0844(3) -0.0574(8) 0.4630(4) 0.020(2) Uani 1 1 d . . .
C36 C -0.0092(3) -0.3408(9) 0.4090(5) 0.041(3) Uani 1 1 d . . .
H36A H -0.0219 -0.3323 0.3700 0.061 Uiso 1 1 calc R . .
H36B H -0.0309 -0.3344 0.4289 0.061 Uiso 1 1 calc R . .
H36C H 0.0046 -0.4202 0.4161 0.061 Uiso 1 1 calc R . .
C37 C 0.1086(3) -0.0920(8) 0.3777(4) 0.022(2) Uani 1 1 d . . .
H37 H 0.1058 -0.1441 0.3473 0.026 Uiso 1 1 calc R . .
C38 C 0.1523(3) 0.0123(8) 0.3351(4) 0.025(2) Uani 1 1 d . . .
H38A H 0.1456 -0.0588 0.3105 0.030 Uiso 1 1 calc R . .
H38B H 0.1831 0.0216 0.3466 0.030 Uiso 1 1 calc R . .
C39 C 0.1322(3) 0.1273(8) 0.3060(4) 0.026(2) Uani 1 1 d . . .
H39A H 0.1422 0.1403 0.2730 0.031 Uiso 1 1 calc R . .
H39B H 0.1014 0.1172 0.2949 0.031 Uiso 1 1 calc R . .
C1M C 0.2857(12) 0.082(2) 0.7922(13) 0.201(15) Uani 1 1 d . . .
O1M O 0.2657(5) 0.0489(15) 0.8257(7) 0.164(8) Uani 1 1 d . . .
N10 N 0.1904(8) 0.3685(17) 0.7895(9) 0.121(7) Uani 1 1 d . . .
O7 O 0.2284(5) 0.3566(15) 0.7899(6) 0.133(6) Uani 1 1 d . . .
O8 O 0.1713(10) 0.302(2) 0.8197(9) 0.265(13) Uani 1 1 d . . .
O9 O 0.1634(5) 0.4350(12) 0.7585(5) 0.114(5) Uani 1 1 d . . .
O1W O 0.2555(3) 0.0716(8) 0.3069(4) 0.058(2) Uiso 1 1 d . . .
O2W O 0.0158(10) 0.015(3) 0.2697(13) 0.164(13) Uiso 0.50 1 d P . .
O3W O -0.0710(13) -0.349(3) 0.2497(15) 0.176(14) Uiso 0.50 1 d P . .
O4W O 0.0997(12) -0.287(3) 0.2578(15) 0.167(14) Uiso 0.50 1 d P . .
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'
Zn Zn 0.2839 1.4301 '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
_geom_angle_publ_flag
O4 Lu1 O6 74.7(2) . . ?
O4 Lu1 O5 69.4(2) . . ?
O6 Lu1 O5 66.8(2) . . ?
O4 Lu1 O3 106.8(2) . . ?
O6 Lu1 O3 76.7(2) . . ?
O5 Lu1 O3 143.1(2) . . ?
O4 Lu1 N7 148.2(2) . . ?
O6 Lu1 N7 74.3(2) . . ?
O5 Lu1 N7 91.8(2) . . ?
O3 Lu1 N7 72.7(2) . . ?
O4 Lu1 N5 103.8(2) . . ?
O6 Lu1 N5 134.2(2) . . ?
O5 Lu1 N5 70.0(2) . . ?
O3 Lu1 N5 141.8(2) . . ?
N7 Lu1 N5 92.7(2) . . ?
O4 Lu1 N6 74.4(2) . . ?
O6 Lu1 N6 128.0(2) . . ?
O5 Lu1 N6 134.4(2) . . ?
O3 Lu1 N6 73.6(2) . . ?
N7 Lu1 N6 132.3(3) . . ?
N5 Lu1 N6 93.4(2) . . ?
O4 Lu1 N8 141.8(2) . . ?
O6 Lu1 N8 138.5(2) . . ?
O5 Lu1 N8 132.8(2) . . ?
O3 Lu1 N8 73.6(2) . . ?
N7 Lu1 N8 69.6(2) . . ?
N5 Lu1 N8 68.2(2) . . ?
N6 Lu1 N8 69.2(2) . . ?
O4 Lu1 Zn1 44.59(15) . . ?
O6 Lu1 Zn1 38.86(16) . . ?
O5 Lu1 Zn1 41.93(14) . . ?
O3 Lu1 Zn1 108.73(15) . . ?
N7 Lu1 Zn1 104.47(18) . . ?
N5 Lu1 Zn1 109.07(17) . . ?
N6 Lu1 Zn1 117.81(18) . . ?
N8 Lu1 Zn1 172.94(16) . . ?
N3 Zn1 O6 155.4(3) . . ?
N3 Zn1 N4 103.2(3) . . ?
O6 Zn1 N4 100.2(3) . . ?
N3 Zn1 N2 100.4(3) . . ?
O6 Zn1 N2 82.5(3) . . ?
N4 Zn1 N2 100.7(3) . . ?
N3 Zn1 O5 102.6(3) . . ?
O6 Zn1 O5 71.9(2) . . ?
N4 Zn1 O5 85.0(3) . . ?
N2 Zn1 O5 154.3(3) . . ?
N3 Zn1 O4 79.9(3) . . ?
O6 Zn1 O4 75.6(2) . . ?
N4 Zn1 O4 155.1(3) . . ?
N2 Zn1 O4 103.0(2) . . ?
O5 Zn1 O4 70.2(2) . . ?
N3 Zn1 Lu1 117.0(2) . . ?
O6 Zn1 Lu1 42.19(16) . . ?
N4 Zn1 Lu1 119.6(2) . . ?
N2 Zn1 Lu1 113.0(2) . . ?
O5 Zn1 Lu1 45.21(15) . . ?
O4 Zn1 Lu1 42.39(15) . . ?
C1 N1 C14 117.7(7) . . ?
C1 N1 C27 117.4(7) . . ?
C14 N1 C27 117.6(7) . . ?
N1 C1 C2 111.8(7) . . ?
C29 N2 C28 116.2(7) . . ?
C29 N2 Zn1 123.7(6) . . ?
C28 N2 Zn1 118.5(6) . . ?
N4 C2 C1 110.5(7) . . ?
C16 N3 C15 113.1(8) . . ?
C16 N3 Zn1 124.0(6) . . ?
C15 N3 Zn1 119.7(6) . . ?
N9 O3 Lu1 125.5(6) . . ?
N4 C3 C4 129.9(8) . . ?
C22 O4 Lu1 140.4(6) . . ?
C22 O4 Zn1 120.9(5) . . ?
Lu1 O4 Zn1 93.0(2) . . ?
C3 N4 C2 115.2(7) . . ?
C3 N4 Zn1 126.6(6) . . ?
C2 N4 Zn1 118.0(5) . . ?
C5 C4 C9 119.9(8) . . ?
C5 C4 C3 116.5(8) . . ?
C9 C4 C3 123.6(8) . . ?
C9 O5 Zn1 129.1(5) . . ?
C9 O5 Lu1 134.2(5) . . ?
Zn1 O5 Lu1 92.9(2) . . ?
C4 C5 C6 124.1(8) . . ?
C11 N5 C12 116.3(7) . . ?
C11 N5 Lu1 132.0(6) . . ?
C12 N5 Lu1 110.2(5) . . ?
C35 O6 Zn1 127.5(5) . . ?
C35 O6 Lu1 133.6(5) . . ?
Zn1 O6 Lu1 99.0(2) . . ?
C24 N6 C25 114.3(8) . . ?
C24 N6 Lu1 125.7(6) . . ?
C25 N6 Lu1 117.1(5) . . ?
C5 C6 C7 115.9(8) . . ?
C5 C6 C10 120.6(8) . . ?
C7 C6 C10 123.4(9) . . ?
C37 N7 C38 114.7(8) . . ?
C37 N7 Lu1 127.2(6) . . ?
C38 N7 Lu1 113.4(5) . . ?
C8 C7 C6 123.1(8) . . ?
C39 N8 C26 109.6(7) . . ?
C39 N8 C13 109.1(7) . . ?
C26 N8 C13 108.7(7) . . ?
C39 N8 Lu1 109.3(5) . . ?
C26 N8 Lu1 107.3(5) . . ?
C13 N8 Lu1 112.8(5) . . ?
C7 C8 C9 120.3(8) . . ?
C7 C8 C11 117.7(8) . . ?
C9 C8 C11 121.8(8) . . ?
O5 C9 C8 121.0(8) . . ?
O5 C9 C4 122.5(8) . . ?
C8 C9 C4 116.5(8) . . ?
O2 N9 O1 121.4(9) . . ?
O2 N9 O3 119.7(9) . . ?
O1 N9 O3 118.9(9) . . ?
N5 C11 C8 126.0(8) . . ?
N5 C12 C13 109.1(7) . . ?
N8 C13 C12 111.8(7) . . ?
N1 C14 C15 110.2(7) . . ?
N3 C15 C14 110.2(7) . . ?
N3 C16 C17 127.5(8) . . ?
C18 C17 C22 119.4(9) . . ?
C18 C17 C16 117.2(9) . . ?
C22 C17 C16 123.3(8) . . ?
C19 C18 C17 124.1(10) . . ?
C18 C19 C20 115.9(9) . . ?
C18 C19 C23 122.2(9) . . ?
C20 C19 C23 121.9(8) . . ?
C19 C20 C21 123.1(9) . . ?
C20 C21 C22 119.6(9) . . ?
C20 C21 C24 116.6(8) . . ?
C22 C21 C24 123.5(8) . . ?
O4 C22 C17 120.5(8) . . ?
O4 C22 C21 122.2(8) . . ?
C17 C22 C21 117.3(8) . . ?
N6 C24 C21 126.1(8) . . ?
C26 C25 N6 112.5(8) . . ?
N8 C26 C25 112.2(8) . . ?
N1 C27 C28 111.8(7) . . ?
N2 C28 C27 110.9(7) . . ?
N2 C29 C30 128.8(8) . . ?
C31 C30 C35 119.6(8) . . ?
C31 C30 C29 118.0(8) . . ?
C35 C30 C29 122.4(8) . . ?
C30 C31 C32 122.6(8) . . ?
C31 C32 C33 117.0(9) . . ?
C31 C32 C36 121.4(9) . . ?
C33 C32 C36 121.6(10) . . ?
C34 C33 C32 122.6(9) . . ?
C33 C34 C35 119.6(8) . . ?
C33 C34 C37 117.0(9) . . ?
C35 C34 C37 123.4(8) . . ?
O6 C35 C34 121.7(8) . . ?
O6 C35 C30 119.8(8) . . ?
C34 C35 C30 118.5(8) . . ?
N7 C37 C34 127.1(9) . . ?
N7 C38 C39 107.8(7) . . ?
N8 C39 C38 110.3(8) . . ?
C1M O1M O1W 99(2) . 6_556 ?
O7 N10 O9 128(2) . . ?
O7 N10 O8 124(3) . . ?
O9 N10 O8 109(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Lu1 O4 2.208(6) . ?
Lu1 O6 2.223(6) . ?
Lu1 O5 2.324(6) . ?
Lu1 O3 2.352(6) . ?
Lu1 N7 2.416(8) . ?
Lu1 N5 2.431(7) . ?
Lu1 N6 2.459(8) . ?
Lu1 N8 2.596(7) . ?
Lu1 Zn1 3.2699(14) . ?
Zn1 N3 2.071(8) . ?
Zn1 O6 2.077(6) . ?
Zn1 N4 2.091(7) . ?
Zn1 N2 2.150(7) . ?
Zn1 O5 2.188(6) . ?
Zn1 O4 2.299(6) . ?
N1 C1 1.444(11) . ?
N1 C14 1.458(11) . ?
N1 C27 1.477(11) . ?
C1 C2 1.515(13) . ?
O1 N9 1.243(11) . ?
N2 C29 1.274(11) . ?
N2 C28 1.476(11) . ?
C2 N4 1.488(11) . ?
O2 N9 1.240(11) . ?
N3 C16 1.306(11) . ?
N3 C15 1.476(11) . ?
O3 N9 1.262(10) . ?
C3 N4 1.288(11) . ?
C3 C4 1.436(12) . ?
O4 C22 1.306(10) . ?
C4 C5 1.372(12) . ?
C4 C9 1.431(12) . ?
O5 C9 1.314(10) . ?
C5 C6 1.388(12) . ?
N5 C11 1.277(11) . ?
N5 C12 1.484(11) . ?
O6 C35 1.334(10) . ?
N6 C24 1.303(11) . ?
N6 C25 1.496(12) . ?
C6 C7 1.393(12) . ?
C6 C10 1.510(12) . ?
N7 C37 1.280(11) . ?
N7 C38 1.469(11) . ?
C7 C8 1.384(12) . ?
N8 C39 1.472(11) . ?
N8 C26 1.487(11) . ?
N8 C13 1.493(11) . ?
C8 C9 1.429(12) . ?
C8 C11 1.446(12) . ?
C12 C13 1.532(13) . ?
C14 C15 1.524(12) . ?
C16 C17 1.449(13) . ?
C17 C18 1.407(12) . ?
C17 C22 1.408(13) . ?
C18 C19 1.354(12) . ?
C19 C20 1.396(13) . ?
C19 C23 1.503(13) . ?
C20 C21 1.397(12) . ?
C21 C22 1.416(12) . ?
C21 C24 1.452(13) . ?
C25 C26 1.494(13) . ?
C27 C28 1.520(12) . ?
C29 C30 1.447(13) . ?
C30 C31 1.379(12) . ?
C30 C35 1.427(12) . ?
C31 C32 1.391(13) . ?
C32 C33 1.396(13) . ?
C32 C36 1.522(13) . ?
C33 C34 1.387(12) . ?
C34 C35 1.402(13) . ?
C34 C37 1.468(12) . ?
C38 C39 1.528(12) . ?
C1M O1M 1.26(3) . ?
O1M O1W 1.420(18) 6_556 ?
N10 O7 1.26(2) . ?
N10 O9 1.26(2) . ?
N10 O8 1.33(2) . ?
O1W O1M 1.420(18) 6 ?
O2W O2W 1.25(6) 2 ?
O3W O4W 1.15(4) 2 ?
O4W O3W 1.15(4) 2 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 Lu1 Zn1 N3 -31.7(3) . . . . ?
O6 Lu1 Zn1 N3 -163.1(3) . . . . ?
O5 Lu1 Zn1 N3 80.7(3) . . . . ?
O3 Lu1 Zn1 N3 -126.9(3) . . . . ?
N7 Lu1 Zn1 N3 156.8(3) . . . . ?
N5 Lu1 Zn1 N3 58.7(3) . . . . ?
N6 Lu1 Zn1 N3 -46.0(3) . . . . ?
N8 Lu1 Zn1 N3 125.0(14) . . . . ?
O4 Lu1 Zn1 O6 131.4(3) . . . . ?
O5 Lu1 Zn1 O6 -116.2(3) . . . . ?
O3 Lu1 Zn1 O6 36.2(3) . . . . ?
N7 Lu1 Zn1 O6 -40.1(3) . . . . ?
N5 Lu1 Zn1 O6 -138.2(3) . . . . ?
N6 Lu1 Zn1 O6 117.1(3) . . . . ?
N8 Lu1 Zn1 O6 -71.9(14) . . . . ?
O4 Lu1 Zn1 N4 -157.5(3) . . . . ?
O6 Lu1 Zn1 N4 71.1(3) . . . . ?
O5 Lu1 Zn1 N4 -45.1(3) . . . . ?
O3 Lu1 Zn1 N4 107.3(3) . . . . ?
N7 Lu1 Zn1 N4 31.0(3) . . . . ?
N5 Lu1 Zn1 N4 -67.1(3) . . . . ?
N6 Lu1 Zn1 N4 -171.7(3) . . . . ?
N8 Lu1 Zn1 N4 -0.8(14) . . . . ?
O4 Lu1 Zn1 N2 84.2(3) . . . . ?
O6 Lu1 Zn1 N2 -47.2(3) . . . . ?
O5 Lu1 Zn1 N2 -163.4(3) . . . . ?
O3 Lu1 Zn1 N2 -11.0(3) . . . . ?
N7 Lu1 Zn1 N2 -87.3(3) . . . . ?
N5 Lu1 Zn1 N2 174.6(3) . . . . ?
N6 Lu1 Zn1 N2 70.0(3) . . . . ?
N8 Lu1 Zn1 N2 -119.1(14) . . . . ?
O4 Lu1 Zn1 O5 -112.4(3) . . . . ?
O6 Lu1 Zn1 O5 116.2(3) . . . . ?
O3 Lu1 Zn1 O5 152.4(3) . . . . ?
N7 Lu1 Zn1 O5 76.1(3) . . . . ?
N5 Lu1 Zn1 O5 -22.0(3) . . . . ?
N6 Lu1 Zn1 O5 -126.6(3) . . . . ?
N8 Lu1 Zn1 O5 44.3(14) . . . . ?
O6 Lu1 Zn1 O4 -131.4(3) . . . . ?
O5 Lu1 Zn1 O4 112.4(3) . . . . ?
O3 Lu1 Zn1 O4 -95.2(3) . . . . ?
N7 Lu1 Zn1 O4 -171.5(3) . . . . ?
N5 Lu1 Zn1 O4 90.4(3) . . . . ?
N6 Lu1 Zn1 O4 -14.2(3) . . . . ?
N8 Lu1 Zn1 O4 156.8(14) . . . . ?
C14 N1 C1 C2 -128.0(8) . . . . ?
C27 N1 C1 C2 82.4(10) . . . . ?
N3 Zn1 N2 C29 -176.2(7) . . . . ?
O6 Zn1 N2 C29 28.5(7) . . . . ?
N4 Zn1 N2 C29 -70.5(7) . . . . ?
O5 Zn1 N2 C29 30.4(11) . . . . ?
O4 Zn1 N2 C29 101.8(7) . . . . ?
Lu1 Zn1 N2 C29 58.3(7) . . . . ?
N3 Zn1 N2 C28 -11.0(6) . . . . ?
O6 Zn1 N2 C28 -166.3(6) . . . . ?
N4 Zn1 N2 C28 94.7(6) . . . . ?
O5 Zn1 N2 C28 -164.4(6) . . . . ?
O4 Zn1 N2 C28 -93.0(6) . . . . ?
Lu1 Zn1 N2 C28 -136.5(5) . . . . ?
N1 C1 C2 N4 58.8(10) . . . . ?
O6 Zn1 N3 C16 32.1(11) . . . . ?
N4 Zn1 N3 C16 -166.4(7) . . . . ?
N2 Zn1 N3 C16 -62.6(7) . . . . ?
O5 Zn1 N3 C16 105.9(7) . . . . ?
O4 Zn1 N3 C16 38.9(7) . . . . ?
Lu1 Zn1 N3 C16 60.0(7) . . . . ?
O6 Zn1 N3 C15 -169.5(6) . . . . ?
N4 Zn1 N3 C15 -8.0(6) . . . . ?
N2 Zn1 N3 C15 95.8(6) . . . . ?
O5 Zn1 N3 C15 -95.7(6) . . . . ?
O4 Zn1 N3 C15 -162.7(6) . . . . ?
Lu1 Zn1 N3 C15 -141.6(5) . . . . ?
O4 Lu1 O3 N9 -12.7(7) . . . . ?
O6 Lu1 O3 N9 56.6(7) . . . . ?
O5 Lu1 O3 N9 65.3(8) . . . . ?
N7 Lu1 O3 N9 134.1(7) . . . . ?
N5 Lu1 O3 N9 -154.3(6) . . . . ?
N6 Lu1 O3 N9 -80.2(7) . . . . ?
N8 Lu1 O3 N9 -152.8(7) . . . . ?
Zn1 Lu1 O3 N9 34.2(7) . . . . ?
O6 Lu1 O4 C22 -121.4(9) . . . . ?
O5 Lu1 O4 C22 168.1(9) . . . . ?
O3 Lu1 O4 C22 -50.8(9) . . . . ?
N7 Lu1 O4 C22 -134.9(8) . . . . ?
N5 Lu1 O4 C22 106.0(9) . . . . ?
N6 Lu1 O4 C22 16.3(8) . . . . ?
N8 Lu1 O4 C22 33.8(10) . . . . ?
Zn1 Lu1 O4 C22 -150.7(10) . . . . ?
O6 Lu1 O4 Zn1 29.2(2) . . . . ?
O5 Lu1 O4 Zn1 -41.3(2) . . . . ?
O3 Lu1 O4 Zn1 99.9(2) . . . . ?
N7 Lu1 O4 Zn1 15.8(5) . . . . ?
N5 Lu1 O4 Zn1 -103.4(2) . . . . ?
N6 Lu1 O4 Zn1 167.0(3) . . . . ?
N8 Lu1 O4 Zn1 -175.5(3) . . . . ?
N3 Zn1 O4 C22 -49.8(6) . . . . ?
O6 Zn1 O4 C22 127.3(6) . . . . ?
N4 Zn1 O4 C22 -149.3(7) . . . . ?
N2 Zn1 O4 C22 48.7(7) . . . . ?
O5 Zn1 O4 C22 -157.2(7) . . . . ?
Lu1 Zn1 O4 C22 158.6(7) . . . . ?
N3 Zn1 O4 Lu1 151.6(3) . . . . ?
O6 Zn1 O4 Lu1 -31.4(2) . . . . ?
N4 Zn1 O4 Lu1 52.0(7) . . . . ?
N2 Zn1 O4 Lu1 -109.9(3) . . . . ?
O5 Zn1 O4 Lu1 44.2(2) . . . . ?
C4 C3 N4 C2 175.8(9) . . . . ?
C4 C3 N4 Zn1 -8.1(15) . . . . ?
C1 C2 N4 C3 100.9(9) . . . . ?
C1 C2 N4 Zn1 -75.5(8) . . . . ?
N3 Zn1 N4 C3 -85.7(8) . . . . ?
O6 Zn1 N4 C3 86.6(8) . . . . ?
N2 Zn1 N4 C3 170.8(8) . . . . ?
O5 Zn1 N4 C3 16.0(8) . . . . ?
O4 Zn1 N4 C3 8.7(12) . . . . ?
Lu1 Zn1 N4 C3 46.4(9) . . . . ?
N3 Zn1 N4 C2 90.2(6) . . . . ?
O6 Zn1 N4 C2 -97.5(6) . . . . ?
N2 Zn1 N4 C2 -13.3(7) . . . . ?
O5 Zn1 N4 C2 -168.0(6) . . . . ?
O4 Zn1 N4 C2 -175.4(6) . . . . ?
Lu1 Zn1 N4 C2 -137.7(6) . . . . ?
N4 C3 C4 C5 174.3(10) . . . . ?
N4 C3 C4 C9 -7.3(16) . . . . ?
N3 Zn1 O5 C9 84.0(7) . . . . ?
O6 Zn1 O5 C9 -120.9(7) . . . . ?
N4 Zn1 O5 C9 -18.4(7) . . . . ?
N2 Zn1 O5 C9 -122.9(8) . . . . ?
O4 Zn1 O5 C9 158.3(7) . . . . ?
Lu1 Zn1 O5 C9 -160.2(8) . . . . ?
N3 Zn1 O5 Lu1 -115.8(3) . . . . ?
O6 Zn1 O5 Lu1 39.3(2) . . . . ?
N4 Zn1 O5 Lu1 141.8(3) . . . . ?
N2 Zn1 O5 Lu1 37.3(6) . . . . ?
O4 Zn1 O5 Lu1 -41.5(2) . . . . ?
O4 Lu1 O5 C9 -157.6(8) . . . . ?
O6 Lu1 O5 C9 120.7(7) . . . . ?
O3 Lu1 O5 C9 111.6(7) . . . . ?
N7 Lu1 O5 C9 48.6(7) . . . . ?
N5 Lu1 O5 C9 -43.6(7) . . . . ?
N6 Lu1 O5 C9 -118.0(7) . . . . ?
N8 Lu1 O5 C9 -14.8(8) . . . . ?
Zn1 Lu1 O5 C9 158.5(8) . . . . ?
O4 Lu1 O5 Zn1 43.9(2) . . . . ?
O6 Lu1 O5 Zn1 -37.8(2) . . . . ?
O3 Lu1 O5 Zn1 -46.9(4) . . . . ?
N7 Lu1 O5 Zn1 -109.9(2) . . . . ?
N5 Lu1 O5 Zn1 157.9(3) . . . . ?
N6 Lu1 O5 Zn1 83.5(3) . . . . ?
N8 Lu1 O5 Zn1 -173.3(2) . . . . ?
C9 C4 C5 C6 -2.9(14) . . . . ?
C3 C4 C5 C6 175.6(9) . . . . ?
O4 Lu1 N5 C11 90.5(8) . . . . ?
O6 Lu1 N5 C11 8.5(10) . . . . ?
O5 Lu1 N5 C11 28.8(8) . . . . ?
O3 Lu1 N5 C11 -127.2(8) . . . . ?
N7 Lu1 N5 C11 -62.1(8) . . . . ?
N6 Lu1 N5 C11 165.2(8) . . . . ?
N8 Lu1 N5 C11 -128.8(9) . . . . ?
Zn1 Lu1 N5 C11 44.2(8) . . . . ?
O4 Lu1 N5 C12 -104.3(5) . . . . ?
O6 Lu1 N5 C12 173.8(5) . . . . ?
O5 Lu1 N5 C12 -166.0(6) . . . . ?
O3 Lu1 N5 C12 38.0(7) . . . . ?
N7 Lu1 N5 C12 103.1(6) . . . . ?
N6 Lu1 N5 C12 -29.5(6) . . . . ?
N8 Lu1 N5 C12 36.4(5) . . . . ?
Zn1 Lu1 N5 C12 -150.5(5) . . . . ?
N3 Zn1 O6 C35 -141.9(7) . . . . ?
N4 Zn1 O6 C35 56.3(7) . . . . ?
N2 Zn1 O6 C35 -43.3(7) . . . . ?
O5 Zn1 O6 C35 137.6(7) . . . . ?
O4 Zn1 O6 C35 -148.9(7) . . . . ?
Lu1 Zn1 O6 C35 179.6(8) . . . . ?
N3 Zn1 O6 Lu1 38.4(7) . . . . ?
N4 Zn1 O6 Lu1 -123.3(3) . . . . ?
N2 Zn1 O6 Lu1 137.1(3) . . . . ?
O5 Zn1 O6 Lu1 -42.1(2) . . . . ?
O4 Zn1 O6 Lu1 31.5(2) . . . . ?
O4 Lu1 O6 C35 147.3(7) . . . . ?
O5 Lu1 O6 C35 -138.9(8) . . . . ?
O3 Lu1 O6 C35 35.5(7) . . . . ?
N7 Lu1 O6 C35 -40.0(7) . . . . ?
N5 Lu1 O6 C35 -118.2(7) . . . . ?
N6 Lu1 O6 C35 92.0(8) . . . . ?
N8 Lu1 O6 C35 -9.8(9) . . . . ?
Zn1 Lu1 O6 C35 -179.6(9) . . . . ?
O4 Lu1 O6 Zn1 -33.1(2) . . . . ?
O5 Lu1 O6 Zn1 40.7(2) . . . . ?
O3 Lu1 O6 Zn1 -144.9(3) . . . . ?
N7 Lu1 O6 Zn1 139.6(3) . . . . ?
N5 Lu1 O6 Zn1 61.4(4) . . . . ?
N6 Lu1 O6 Zn1 -88.5(3) . . . . ?
N8 Lu1 O6 Zn1 169.8(2) . . . . ?
O4 Lu1 N6 C24 -28.6(7) . . . . ?
O6 Lu1 N6 C24 26.9(9) . . . . ?
O5 Lu1 N6 C24 -66.9(8) . . . . ?
O3 Lu1 N6 C24 84.6(8) . . . . ?
N7 Lu1 N6 C24 131.3(7) . . . . ?
N5 Lu1 N6 C24 -131.9(8) . . . . ?
N8 Lu1 N6 C24 162.9(8) . . . . ?
Zn1 Lu1 N6 C24 -18.3(8) . . . . ?
O4 Lu1 N6 C25 172.0(7) . . . . ?
O6 Lu1 N6 C25 -132.5(6) . . . . ?
O5 Lu1 N6 C25 133.7(6) . . . . ?
O3 Lu1 N6 C25 -74.8(6) . . . . ?
N7 Lu1 N6 C25 -28.1(7) . . . . ?
N5 Lu1 N6 C25 68.7(6) . . . . ?
N8 Lu1 N6 C25 3.5(6) . . . . ?
Zn1 Lu1 N6 C25 -177.7(6) . . . . ?
C4 C5 C6 C7 1.8(13) . . . . ?
C4 C5 C6 C10 180.0(9) . . . . ?
O4 Lu1 N7 C37 41.4(10) . . . . ?
O6 Lu1 N7 C37 28.0(7) . . . . ?
O5 Lu1 N7 C37 93.3(8) . . . . ?
O3 Lu1 N7 C37 -52.7(7) . . . . ?
N5 Lu1 N7 C37 163.3(8) . . . . ?
N6 Lu1 N7 C37 -99.7(8) . . . . ?
N8 Lu1 N7 C37 -131.2(8) . . . . ?
Zn1 Lu1 N7 C37 52.8(8) . . . . ?
O4 Lu1 N7 C38 -164.5(5) . . . . ?
O6 Lu1 N7 C38 -178.0(6) . . . . ?
O5 Lu1 N7 C38 -112.7(6) . . . . ?
O3 Lu1 N7 C38 101.4(6) . . . . ?
N5 Lu1 N7 C38 -42.7(6) . . . . ?
N6 Lu1 N7 C38 54.4(7) . . . . ?
N8 Lu1 N7 C38 22.9(6) . . . . ?
Zn1 Lu1 N7 C38 -153.1(5) . . . . ?
C5 C6 C7 C8 -1.9(13) . . . . ?
C10 C6 C7 C8 179.9(9) . . . . ?
O4 Lu1 N8 C39 -164.3(5) . . . . ?
O6 Lu1 N8 C39 -21.8(7) . . . . ?
O5 Lu1 N8 C39 81.9(6) . . . . ?
O3 Lu1 N8 C39 -67.8(6) . . . . ?
N7 Lu1 N8 C39 9.4(6) . . . . ?
N5 Lu1 N8 C39 111.1(6) . . . . ?
N6 Lu1 N8 C39 -146.2(6) . . . . ?
Zn1 Lu1 N8 C39 42.4(17) . . . . ?
O4 Lu1 N8 C26 -45.5(7) . . . . ?
O6 Lu1 N8 C26 97.0(6) . . . . ?
O5 Lu1 N8 C26 -159.4(5) . . . . ?
O3 Lu1 N8 C26 50.9(5) . . . . ?
N7 Lu1 N8 C26 128.1(6) . . . . ?
N5 Lu1 N8 C26 -130.1(6) . . . . ?
N6 Lu1 N8 C26 -27.4(5) . . . . ?
Zn1 Lu1 N8 C26 161.1(11) . . . . ?
O4 Lu1 N8 C13 74.2(7) . . . . ?
O6 Lu1 N8 C13 -143.3(5) . . . . ?
O5 Lu1 N8 C13 -39.7(7) . . . . ?
O3 Lu1 N8 C13 170.6(6) . . . . ?
N7 Lu1 N8 C13 -112.2(6) . . . . ?
N5 Lu1 N8 C13 -10.5(5) . . . . ?
N6 Lu1 N8 C13 92.3(6) . . . . ?
Zn1 Lu1 N8 C13 -79.2(15) . . . . ?
C6 C7 C8 C9 3.2(14) . . . . ?
C6 C7 C8 C11 178.6(9) . . . . ?
Zn1 O5 C9 C8 -169.0(6) . . . . ?
Lu1 O5 C9 C8 39.1(11) . . . . ?
Zn1 O5 C9 C4 11.3(12) . . . . ?
Lu1 O5 C9 C4 -140.5(7) . . . . ?
C7 C8 C9 O5 176.3(8) . . . . ?
C11 C8 C9 O5 1.1(13) . . . . ?
C7 C8 C9 C4 -4.0(12) . . . . ?
C11 C8 C9 C4 -179.2(8) . . . . ?
C5 C4 C9 O5 -176.5(8) . . . . ?
C3 C4 C9 O5 5.2(14) . . . . ?
C5 C4 C9 C8 3.8(12) . . . . ?
C3 C4 C9 C8 -174.5(8) . . . . ?
Lu1 O3 N9 O2 16.5(12) . . . . ?
Lu1 O3 N9 O1 -165.7(7) . . . . ?
C12 N5 C11 C8 -176.8(8) . . . . ?
Lu1 N5 C11 C8 -12.2(14) . . . . ?
C7 C8 C11 N5 172.1(9) . . . . ?
C9 C8 C11 N5 -12.6(14) . . . . ?
C11 N5 C12 C13 108.0(9) . . . . ?
Lu1 N5 C12 C13 -59.8(8) . . . . ?
C39 N8 C13 C12 -137.7(8) . . . . ?
C26 N8 C13 C12 102.8(8) . . . . ?
Lu1 N8 C13 C12 -16.0(9) . . . . ?
N5 C12 C13 N8 49.2(10) . . . . ?
C1 N1 C14 C15 84.9(9) . . . . ?
C27 N1 C14 C15 -125.6(8) . . . . ?
C16 N3 C15 C14 82.5(9) . . . . ?
Zn1 N3 C15 C14 -78.2(8) . . . . ?
N1 C14 C15 N3 55.3(10) . . . . ?
C15 N3 C16 C17 -176.7(8) . . . . ?
Zn1 N3 C16 C17 -17.0(12) . . . . ?
N3 C16 C17 C18 163.3(8) . . . . ?
N3 C16 C17 C22 -19.7(14) . . . . ?
C22 C17 C18 C19 2.6(13) . . . . ?
C16 C17 C18 C19 179.7(8) . . . . ?
C17 C18 C19 C20 -6.3(13) . . . . ?
C17 C18 C19 C23 172.5(8) . . . . ?
C18 C19 C20 C21 2.9(14) . . . . ?
C23 C19 C20 C21 -175.9(8) . . . . ?
C19 C20 C21 C22 4.0(13) . . . . ?
C19 C20 C21 C24 -169.7(9) . . . . ?
Lu1 O4 C22 C17 -179.8(6) . . . . ?
Zn1 O4 C22 C17 35.0(10) . . . . ?
Lu1 O4 C22 C21 -0.7(14) . . . . ?
Zn1 O4 C22 C21 -146.0(7) . . . . ?
C18 C17 C22 O4 -176.4(8) . . . . ?
C16 C17 C22 O4 6.7(13) . . . . ?
C18 C17 C22 C21 4.5(12) . . . . ?
C16 C17 C22 C21 -172.4(8) . . . . ?
C20 C21 C22 O4 173.3(8) . . . . ?
C24 C21 C22 O4 -13.4(13) . . . . ?
C20 C21 C22 C17 -7.6(12) . . . . ?
C24 C21 C22 C17 165.7(8) . . . . ?
C25 N6 C24 C21 -170.4(9) . . . . ?
Lu1 N6 C24 C21 29.7(13) . . . . ?
C20 C21 C24 N6 169.8(9) . . . . ?
C22 C21 C24 N6 -3.7(14) . . . . ?
C24 N6 C25 C26 -140.2(9) . . . . ?
Lu1 N6 C25 C26 21.6(10) . . . . ?
C39 N8 C26 C25 168.8(8) . . . . ?
C13 N8 C26 C25 -72.1(10) . . . . ?
Lu1 N8 C26 C25 50.2(8) . . . . ?
N6 C25 C26 N8 -49.4(11) . . . . ?
C1 N1 C27 C28 -124.4(8) . . . . ?
C14 N1 C27 C28 86.0(10) . . . . ?
C29 N2 C28 C27 91.6(9) . . . . ?
Zn1 N2 C28 C27 -74.7(8) . . . . ?
N1 C27 C28 N2 55.8(10) . . . . ?
C28 N2 C29 C30 -174.9(8) . . . . ?
Zn1 N2 C29 C30 -9.4(13) . . . . ?
N2 C29 C30 C31 167.6(9) . . . . ?
N2 C29 C30 C35 -13.6(15) . . . . ?
C35 C30 C31 C32 2.2(13) . . . . ?
C29 C30 C31 C32 -179.0(8) . . . . ?
C30 C31 C32 C33 -1.2(13) . . . . ?
C30 C31 C32 C36 177.3(8) . . . . ?
C31 C32 C33 C34 -0.9(14) . . . . ?
C36 C32 C33 C34 -179.3(9) . . . . ?
C32 C33 C34 C35 1.8(14) . . . . ?
C32 C33 C34 C37 -177.5(8) . . . . ?
Zn1 O6 C35 C34 -143.4(7) . . . . ?
Lu1 O6 C35 C34 36.1(12) . . . . ?
Zn1 O6 C35 C30 36.1(11) . . . . ?
Lu1 O6 C35 C30 -144.4(7) . . . . ?
C33 C34 C35 O6 178.8(8) . . . . ?
C37 C34 C35 O6 -2.0(14) . . . . ?
C33 C34 C35 C30 -0.7(13) . . . . ?
C37 C34 C35 C30 178.5(8) . . . . ?
C31 C30 C35 O6 179.3(8) . . . . ?
C29 C30 C35 O6 0.5(13) . . . . ?
C31 C30 C35 C34 -1.2(13) . . . . ?
C29 C30 C35 C34 180.0(8) . . . . ?
C38 N7 C37 C34 -169.3(8) . . . . ?
Lu1 N7 C37 C34 -15.5(13) . . . . ?
C33 C34 C37 N7 173.6(9) . . . . ?
C35 C34 C37 N7 -5.7(15) . . . . ?
C37 N7 C38 C39 105.4(9) . . . . ?
Lu1 N7 C38 C39 -52.0(8) . . . . ?
C26 N8 C39 C38 -156.5(7) . . . . ?
C13 N8 C39 C38 84.5(9) . . . . ?
Lu1 N8 C39 C38 -39.2(8) . . . . ?
N7 C38 C39 N8 61.2(10) . . . . ?
