#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/87/4318703.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_4318703
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 N10 O12.5 Yb Zn'
_chemical_formula_weight         1113.34
_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                 104.425(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   33.154(2)
_cell_length_b                   11.0195(8)
_cell_length_c                   25.6935(18)
_cell_measurement_temperature    173(2)
_cell_volume                     9091.0(11)
_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      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1146
_diffrn_reflns_av_sigmaI/netI    0.1717
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            31410
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    2.645
_exptl_absorpt_correction_T_max  0.9016
_exptl_absorpt_correction_T_min  0.4252
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            Pale_yellow
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4512
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.329
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.926
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     580
_refine_ls_number_reflns         11289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.926
_refine_ls_R_factor_all          0.1272
_refine_ls_R_factor_gt           0.0528
_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)+(0.0486P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1252
_reflns_number_gt                6177
_reflns_number_total             11289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic025587s_s1_4.cif
_cod_data_source_block           for_compound_12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'multi-scans' was replaced
with 'multi-scan' value.

'_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 N10 O12.50 Yb Zn'
_cod_database_code               4318703
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
Yb1 Yb 0.141575(10) 0.82897(3) 0.440702(12) 0.01842(9) Uani 1 1 d . . .
Zn1 Zn 0.14589(3) 0.93634(8) 0.56155(3) 0.0217(2) Uani 1 1 d . . .
N1 N 0.14331(18) 1.0260(5) 0.6743(2) 0.0260(15) Uani 1 1 d . . .
O2 O 0.0435(2) 0.7767(6) 0.4502(3) 0.0585(19) Uani 1 1 d . . .
C1 C 0.1710(2) 0.9390(7) 0.7075(3) 0.0299(19) Uani 1 1 d . . .
H1A H 0.1542 0.8761 0.7200 0.036 Uiso 1 1 calc R . .
H1B H 0.1881 0.9808 0.7395 0.036 Uiso 1 1 calc R . .
O1 O 0.00517(16) 0.8509(6) 0.3777(3) 0.0571(19) Uani 1 1 d . . .
N2 N 0.17380(19) 1.1091(6) 0.5833(2) 0.0259(14) Uani 1 1 d . . .
C2 C 0.1992(2) 0.8788(7) 0.6773(3) 0.0322(19) Uani 1 1 d . . .
H2A H 0.2181 0.9398 0.6677 0.039 Uiso 1 1 calc R . .
H2B H 0.2164 0.8161 0.7001 0.039 Uiso 1 1 calc R . .
O3 O 0.07186(14) 0.8385(5) 0.38780(19) 0.0286(12) Uani 1 1 d . . .
C3 C 0.1603(2) 0.7167(7) 0.6349(3) 0.0259(18) Uani 1 1 d . . .
H3 H 0.1705 0.6835 0.6699 0.031 Uiso 1 1 calc R . .
N3 N 0.08407(19) 0.9651(6) 0.5746(2) 0.0249(15) Uani 1 1 d . . .
O4 O 0.11253(14) 0.9725(4) 0.48094(18) 0.0226(11) Uani 1 1 d . . .
N4 N 0.17300(17) 0.8221(6) 0.6276(2) 0.0253(14) Uani 1 1 d . . .
C4 C 0.1319(2) 0.6399(6) 0.5959(3) 0.0185(16) Uani 1 1 d . . .
O5 O 0.14002(14) 0.7495(4) 0.51922(18) 0.0219(11) Uani 1 1 d . . .
C5 C 0.1126(2) 0.5433(7) 0.6163(3) 0.0277(18) Uani 1 1 d . . .
H5 H 0.1185 0.5325 0.6541 0.033 Uiso 1 1 calc R . .
N5 N 0.21182(17) 0.7866(5) 0.4326(2) 0.0199(13) Uani 1 1 d . . .
N6 N 0.13521(18) 1.0058(5) 0.3838(2) 0.0217(14) Uani 1 1 d . . .
O6 O 0.19048(14) 0.9260(4) 0.50992(18) 0.0220(11) Uani 1 1 d . . .
C6 C 0.0854(2) 0.4631(6) 0.5836(3) 0.0255(18) Uani 1 1 d . . .
C7 C 0.0809(2) 0.4752(6) 0.5288(3) 0.0238(17) Uani 1 1 d . . .
H7 H 0.0639 0.4186 0.5054 0.029 Uiso 1 1 calc R . .
N7 N 0.11850(17) 0.6168(5) 0.4213(2) 0.0223(14) Uani 1 1 d . . .
C8 C 0.1002(2) 0.5663(6) 0.5064(3) 0.0208(16) Uani 1 1 d . . .
N8 N 0.14313(17) 0.7671(5) 0.3432(2) 0.0205(13) Uani 1 1 d . . .
C9 C 0.1243(2) 0.6563(6) 0.5390(3) 0.0190(15) Uani 1 1 d . . .
N9 N 0.0399(2) 0.8206(6) 0.4056(3) 0.0339(16) Uani 1 1 d . . .
C10 C 0.0610(3) 0.3693(7) 0.6065(3) 0.036(2) Uani 1 1 d . . .
H10A H 0.0523 0.3035 0.5805 0.053 Uiso 1 1 calc R . .
H10B H 0.0363 0.4076 0.6139 0.053 Uiso 1 1 calc R . .
H10C H 0.0786 0.3364 0.6400 0.053 Uiso 1 1 calc R . .
C11 C 0.0988(2) 0.5562(7) 0.4496(3) 0.0232(17) Uani 1 1 d . . .
H11 H 0.0805 0.4957 0.4306 0.028 Uiso 1 1 calc R . .
C12 C 0.1155(2) 0.5703(7) 0.3665(3) 0.0257(18) Uani 1 1 d . . .
H12A H 0.0912 0.5155 0.3560 0.031 Uiso 1 1 calc R . .
H12B H 0.1408 0.5222 0.3666 0.031 Uiso 1 1 calc R . .
C13 C 0.1111(2) 0.6719(7) 0.3251(3) 0.0269(17) Uani 1 1 d . . .
H13A H 0.1140 0.6376 0.2905 0.032 Uiso 1 1 calc R . .
H13B H 0.0831 0.7085 0.3190 0.032 Uiso 1 1 calc R . .
C14 C 0.0988(2) 1.0181(7) 0.6711(3) 0.0280(18) Uani 1 1 d . . .
H14A H 0.0859 1.0992 0.6628 0.034 Uiso 1 1 calc R . .
H14B H 0.0947 0.9922 0.7064 0.034 Uiso 1 1 calc R . .
C15 C 0.0772(2) 0.9280(7) 0.6279(3) 0.0283(18) Uani 1 1 d . . .
H15A H 0.0887 0.8456 0.6373 0.034 Uiso 1 1 calc R . .
H15B H 0.0470 0.9259 0.6258 0.034 Uiso 1 1 calc R . .
C16 C 0.0556(2) 1.0316(7) 0.5451(3) 0.0260(18) Uani 1 1 d . . .
H16 H 0.0315 1.0448 0.5580 0.031 Uiso 1 1 calc R . .
C17 C 0.0559(2) 1.0890(6) 0.4944(3) 0.0183(15) Uani 1 1 d . . .
C18 C 0.0256(2) 1.1769(7) 0.4752(3) 0.0253(16) Uani 1 1 d . . .
H18 H 0.0059 1.1940 0.4954 0.030 Uiso 1 1 calc R . .
C19 C 0.0231(2) 1.2396(7) 0.4286(3) 0.0302(19) Uani 1 1 d . . .
C20 C 0.0518(2) 1.2087(6) 0.3982(3) 0.0256(17) Uani 1 1 d . . .
H20 H 0.0505 1.2500 0.3654 0.031 Uiso 1 1 calc R . .
C21 C 0.0817(2) 1.1193(6) 0.4151(3) 0.0209(16) Uani 1 1 d . . .
C22 C 0.0847(2) 1.0579(6) 0.4643(3) 0.0228(17) Uani 1 1 d . . .
C23 C -0.0091(2) 1.3387(7) 0.4096(3) 0.042(2) Uani 1 1 d . . .
H23A H -0.0343 1.3200 0.4214 0.063 Uiso 1 1 calc R . .
H23B H -0.0160 1.3432 0.3702 0.063 Uiso 1 1 calc R . .
H23C H 0.0023 1.4167 0.4247 0.063 Uiso 1 1 calc R . .
C24 C 0.1085(2) 1.0939(7) 0.3796(3) 0.0246(17) Uani 1 1 d . . .
H24 H 0.1062 1.1474 0.3500 0.030 Uiso 1 1 calc R . .
C25 C 0.1532(2) 0.9875(7) 0.3369(3) 0.0297(19) Uani 1 1 d . . .
H25A H 0.1837 0.9752 0.3490 0.036 Uiso 1 1 calc R . .
H25B H 0.1477 1.0590 0.3129 0.036 Uiso 1 1 calc R . .
C26 C 0.1323(2) 0.8754(7) 0.3078(3) 0.0290(19) Uani 1 1 d . . .
H26A H 0.1017 0.8869 0.2977 0.035 Uiso 1 1 calc R . .
H26B H 0.1416 0.8629 0.2744 0.035 Uiso 1 1 calc R . .
C27 C 0.1594(2) 1.1495(6) 0.6724(3) 0.0303(19) Uani 1 1 d . . .
H27A H 0.1895 1.1513 0.6902 0.036 Uiso 1 1 calc R . .
H27B H 0.1450 1.2054 0.6919 0.036 Uiso 1 1 calc R . .
C28 C 0.1523(2) 1.1921(7) 0.6130(3) 0.033(2) Uani 1 1 d . . .
H28A H 0.1221 1.1933 0.5956 0.039 Uiso 1 1 calc R . .
H28B H 0.1633 1.2755 0.6122 0.039 Uiso 1 1 calc R . .
C29 C 0.2084(2) 1.1466(6) 0.5760(3) 0.0264(18) Uani 1 1 d . . .
H29 H 0.2179 1.2216 0.5929 0.032 Uiso 1 1 calc R . .
C30 C 0.2351(2) 1.0921(6) 0.5462(3) 0.0224(16) Uani 1 1 d . . .
C31 C 0.2726(2) 1.1517(6) 0.5484(3) 0.0247(17) Uani 1 1 d . . .
H31 H 0.2790 1.2208 0.5711 0.030 Uiso 1 1 calc R . .
C32 C 0.3010(2) 1.1178(6) 0.5202(3) 0.0249(17) Uani 1 1 d . . .
C33 C 0.2901(2) 1.0169(6) 0.4875(3) 0.0231(17) Uani 1 1 d . . .
H33 H 0.3089 0.9899 0.4675 0.028 Uiso 1 1 calc R . .
C34 C 0.2527(2) 0.9522(6) 0.4822(3) 0.0179(15) Uani 1 1 d . . .
C35 C 0.2241(2) 0.9876(7) 0.5122(3) 0.0220(16) Uani 1 1 d . . .
C36 C 0.3411(2) 1.1859(7) 0.5266(3) 0.0328(19) Uani 1 1 d . . .
H36A H 0.3358 1.2732 0.5276 0.049 Uiso 1 1 calc R . .
H36B H 0.3530 1.1677 0.4962 0.049 Uiso 1 1 calc R . .
H36C H 0.3607 1.1612 0.5601 0.049 Uiso 1 1 calc R . .
C37 C 0.2460(2) 0.8468(6) 0.4476(3) 0.0192(16) Uani 1 1 d . . .
H37 H 0.2689 0.8194 0.4349 0.023 Uiso 1 1 calc R . .
C38 C 0.2122(2) 0.6844(6) 0.3953(3) 0.0241(16) Uani 1 1 d . . .
H38A H 0.2010 0.6102 0.4084 0.029 Uiso 1 1 calc R . .
H38B H 0.2411 0.6677 0.3931 0.029 Uiso 1 1 calc R . .
C39 C 0.1852(2) 0.7201(7) 0.3401(3) 0.0242(17) Uani 1 1 d . . .
H39A H 0.1996 0.7835 0.3243 0.029 Uiso 1 1 calc R . .
H39B H 0.1813 0.6485 0.3160 0.029 Uiso 1 1 calc R . .
N10 N 0.3088(4) 1.1343(10) 0.7071(4) 0.078(3) Uani 1 1 d . . .
O7 O 0.2716(3) 1.1399(10) 0.7066(4) 0.123(4) Uani 1 1 d . . .
O8 O 0.3260(4) 1.1975(10) 0.6783(5) 0.151(5) Uani 1 1 d . . .
O9 O 0.3337(3) 1.0694(8) 0.7408(3) 0.093(3) Uani 1 1 d . . .
O1M O 0.2463(2) 0.5693(6) 0.6961(3) 0.064(2) Uani 1 1 d . . .
H1M H 0.2360 0.5925 0.7212 0.096 Uiso 1 1 calc R . .
C1M C 0.2308(3) 0.4532(9) 0.6788(4) 0.064(3) Uani 1 1 d . . .
H1M1 H 0.2540 0.3988 0.6782 0.097 Uiso 1 1 calc R . .
H1M2 H 0.2123 0.4590 0.6426 0.097 Uiso 1 1 calc R . .
H1M3 H 0.2152 0.4211 0.7035 0.097 Uiso 1 1 calc R . .
O1W O 0.0855(6) 1.3153(16) 0.2824(8) 0.105(6) Uiso 0.50 1 d P . .
O2W O -0.0685(7) 1.3185(19) 0.2606(9) 0.129(7) Uiso 0.50 1 d P . .
O3W O 0.0000 0.984(4) 0.7500 0.39(3) Uiso 1 2 d S . .
O4W O 0.0229(12) 0.960(3) 0.2758(15) 0.236(17) Uiso 0.50 1 d P . .
O5W O 0.0000 0.566(3) 0.2500 0.340(16) Uiso 1 2 d S . .
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'
Yb Yb -0.3850 5.5486 '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
O5 Yb1 O4 75.39(16) . . ?
O5 Yb1 O6 69.98(16) . . ?
O4 Yb1 O6 67.83(16) . . ?
O5 Yb1 O3 107.40(16) . . ?
O4 Yb1 O3 76.31(17) . . ?
O6 Yb1 O3 143.59(16) . . ?
O5 Yb1 N6 148.64(18) . . ?
O4 Yb1 N6 74.10(18) . . ?
O6 Yb1 N6 91.77(18) . . ?
O3 Yb1 N6 72.05(18) . . ?
O5 Yb1 N5 104.04(17) . . ?
O4 Yb1 N5 134.99(18) . . ?
O6 Yb1 N5 69.94(17) . . ?
O3 Yb1 N5 140.81(17) . . ?
N6 Yb1 N5 92.51(19) . . ?
O5 Yb1 N7 74.52(18) . . ?
O4 Yb1 N7 127.99(17) . . ?
O6 Yb1 N7 134.83(18) . . ?
O3 Yb1 N7 73.62(18) . . ?
N6 Yb1 N7 131.72(19) . . ?
N5 Yb1 N7 93.21(18) . . ?
O5 Yb1 N8 141.52(17) . . ?
O4 Yb1 N8 137.99(17) . . ?
O6 Yb1 N8 132.22(16) . . ?
O3 Yb1 N8 73.21(16) . . ?
N6 Yb1 N8 69.45(18) . . ?
N5 Yb1 N8 67.63(18) . . ?
N7 Yb1 N8 68.79(18) . . ?
O5 Yb1 Zn1 44.56(12) . . ?
O4 Yb1 Zn1 39.82(12) . . ?
O6 Yb1 Zn1 42.40(10) . . ?
O3 Yb1 Zn1 109.36(11) . . ?
N6 Yb1 Zn1 104.95(13) . . ?
N5 Yb1 Zn1 109.39(13) . . ?
N7 Yb1 Zn1 117.95(13) . . ?
N8 Yb1 Zn1 173.12(13) . . ?
N4 Zn1 O4 154.5(2) . . ?
N4 Zn1 N2 104.5(2) . . ?
O4 Zn1 N2 100.0(2) . . ?
N4 Zn1 N3 101.0(2) . . ?
O4 Zn1 N3 80.9(2) . . ?
N2 Zn1 N3 101.1(2) . . ?
N4 Zn1 O6 103.58(19) . . ?
O4 Zn1 O6 71.96(17) . . ?
N2 Zn1 O6 83.83(19) . . ?
N3 Zn1 O6 152.9(2) . . ?
N4 Zn1 O5 79.5(2) . . ?
O4 Zn1 O5 75.34(17) . . ?
N2 Zn1 O5 154.03(19) . . ?
N3 Zn1 O5 103.25(19) . . ?
O6 Zn1 O5 70.39(16) . . ?
N4 Zn1 Yb1 116.82(16) . . ?
O4 Zn1 Yb1 42.25(12) . . ?
N2 Zn1 Yb1 118.87(15) . . ?
N3 Zn1 Yb1 112.04(15) . . ?
O6 Zn1 Yb1 45.37(12) . . ?
O5 Zn1 Yb1 42.11(11) . . ?
C1 N1 C14 118.5(6) . . ?
C1 N1 C27 116.9(6) . . ?
C14 N1 C27 115.1(6) . . ?
N1 C1 C2 111.8(6) . . ?
C29 N2 C28 116.1(6) . . ?
C29 N2 Zn1 126.8(5) . . ?
C28 N2 Zn1 117.0(5) . . ?
N4 C2 C1 108.7(6) . . ?
N9 O3 Yb1 124.6(4) . . ?
N4 C3 C4 127.7(7) . . ?
C16 N3 C15 116.1(6) . . ?
C16 N3 Zn1 125.0(5) . . ?
C15 N3 Zn1 117.5(5) . . ?
C22 O4 Zn1 127.2(4) . . ?
C22 O4 Yb1 134.9(4) . . ?
Zn1 O4 Yb1 97.94(18) . . ?
C3 N4 C2 113.7(7) . . ?
C3 N4 Zn1 124.9(5) . . ?
C2 N4 Zn1 118.4(5) . . ?
C5 C4 C9 119.6(7) . . ?
C5 C4 C3 117.3(6) . . ?
C9 C4 C3 123.1(6) . . ?
C9 O5 Yb1 140.0(4) . . ?
C9 O5 Zn1 120.7(4) . . ?
Yb1 O5 Zn1 93.33(16) . . ?
C6 C5 C4 122.9(7) . . ?
C37 N5 C38 116.0(5) . . ?
C37 N5 Yb1 131.6(5) . . ?
C38 N5 Yb1 111.4(4) . . ?
C24 N6 C25 116.0(6) . . ?
C24 N6 Yb1 127.4(5) . . ?
C25 N6 Yb1 112.9(4) . . ?
C35 O6 Zn1 129.8(4) . . ?
C35 O6 Yb1 134.3(4) . . ?
Zn1 O6 Yb1 92.23(16) . . ?
C7 C6 C5 116.3(7) . . ?
C7 C6 C10 121.9(7) . . ?
C5 C6 C10 121.8(7) . . ?
C6 C7 C8 123.2(7) . . ?
C11 N7 C12 116.0(6) . . ?
C11 N7 Yb1 123.7(5) . . ?
C12 N7 Yb1 117.6(4) . . ?
C7 C8 C9 120.8(6) . . ?
C7 C8 C11 117.3(7) . . ?
C9 C8 C11 121.6(6) . . ?
C13 N8 C26 109.2(6) . . ?
C13 N8 C39 109.8(5) . . ?
C26 N8 C39 109.2(5) . . ?
C13 N8 Yb1 107.7(4) . . ?
C26 N8 Yb1 108.5(4) . . ?
C39 N8 Yb1 112.4(4) . . ?
O5 C9 C8 122.8(6) . . ?
O5 C9 C4 120.6(6) . . ?
C8 C9 C4 116.6(6) . . ?
O2 N9 O1 120.6(7) . . ?
O2 N9 O3 120.1(7) . . ?
O1 N9 O3 119.2(7) . . ?
N7 C11 C8 129.6(7) . . ?
N7 C12 C13 112.5(6) . . ?
N8 C13 C12 111.3(6) . . ?
N1 C14 C15 111.2(6) . . ?
N3 C15 C14 109.7(6) . . ?
N3 C16 C17 127.6(6) . . ?
C18 C17 C22 120.1(6) . . ?
C18 C17 C16 117.0(6) . . ?
C22 C17 C16 123.0(6) . . ?
C19 C18 C17 122.7(6) . . ?
C18 C19 C20 117.4(7) . . ?
C18 C19 C23 122.0(7) . . ?
C20 C19 C23 120.6(7) . . ?
C21 C20 C19 121.7(7) . . ?
C20 C21 C22 120.1(6) . . ?
C20 C21 C24 116.3(7) . . ?
C22 C21 C24 123.6(6) . . ?
O4 C22 C17 120.7(6) . . ?
O4 C22 C21 121.3(6) . . ?
C17 C22 C21 117.9(6) . . ?
N6 C24 C21 127.1(7) . . ?
N6 C25 C26 106.5(6) . . ?
N8 C26 C25 109.8(6) . . ?
N1 C27 C28 110.3(6) . . ?
N2 C28 C27 110.2(6) . . ?
N2 C29 C30 129.7(7) . . ?
C31 C30 C35 119.4(6) . . ?
C31 C30 C29 116.3(7) . . ?
C35 C30 C29 124.2(7) . . ?
C32 C31 C30 124.7(7) . . ?
C31 C32 C33 115.4(6) . . ?
C31 C32 C36 120.7(7) . . ?
C33 C32 C36 123.9(7) . . ?
C32 C33 C34 123.8(6) . . ?
C33 C34 C35 120.0(7) . . ?
C33 C34 C37 117.8(6) . . ?
C35 C34 C37 122.1(6) . . ?
O6 C35 C34 121.2(7) . . ?
O6 C35 C30 122.2(6) . . ?
C34 C35 C30 116.7(6) . . ?
N5 C37 C34 126.2(6) . . ?
N5 C38 C39 107.8(5) . . ?
N8 C39 C38 112.0(5) . . ?
O7 N10 O8 124.7(14) . . ?
O7 N10 O9 121.2(12) . . ?
O8 N10 O9 113.9(13) . . ?
O4W O3W O4W 110(7) 5_576 6_576 ?
O3W O4W O4W 35(4) 5_576 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
Yb1 O5 2.212(4) . ?
Yb1 O4 2.235(4) . ?
Yb1 O6 2.345(5) . ?
Yb1 O3 2.374(5) . ?
Yb1 N6 2.414(6) . ?
Yb1 N5 2.435(5) . ?
Yb1 N7 2.472(6) . ?
Yb1 N8 2.609(5) . ?
Yb1 Zn1 3.2925(9) . ?
Zn1 N4 2.125(6) . ?
Zn1 O4 2.129(5) . ?
Zn1 N2 2.129(6) . ?
Zn1 N3 2.181(6) . ?
Zn1 O6 2.222(4) . ?
Zn1 O5 2.314(5) . ?
N1 C1 1.448(9) . ?
N1 C14 1.461(9) . ?
N1 C27 1.467(9) . ?
O2 N9 1.223(8) . ?
C1 C2 1.510(10) . ?
O1 N9 1.240(8) . ?
N2 C29 1.275(9) . ?
N2 C28 1.482(8) . ?
C2 N4 1.490(9) . ?
O3 N9 1.271(7) . ?
C3 N4 1.266(9) . ?
C3 C4 1.462(10) . ?
N3 C16 1.283(9) . ?
N3 C15 1.500(8) . ?
O4 C22 1.313(8) . ?
C4 C5 1.407(9) . ?
C4 C9 1.433(9) . ?
O5 C9 1.311(8) . ?
C5 C6 1.386(10) . ?
N5 C37 1.286(8) . ?
N5 C38 1.480(8) . ?
N6 C24 1.301(9) . ?
N6 C25 1.485(8) . ?
O6 C35 1.295(8) . ?
C6 C7 1.385(10) . ?
C6 C10 1.520(9) . ?
C7 C8 1.390(9) . ?
N7 C11 1.279(9) . ?
N7 C12 1.478(8) . ?
C8 C9 1.410(9) . ?
C8 C11 1.452(9) . ?
N8 C13 1.482(9) . ?
N8 C26 1.490(9) . ?
N8 C39 1.507(8) . ?
C12 C13 1.527(10) . ?
C14 C15 1.528(10) . ?
C16 C17 1.451(10) . ?
C17 C18 1.395(9) . ?
C17 C22 1.411(9) . ?
C18 C19 1.368(10) . ?
C19 C20 1.413(10) . ?
C19 C23 1.519(10) . ?
C20 C21 1.390(10) . ?
C21 C22 1.415(10) . ?
C21 C24 1.447(9) . ?
C25 C26 1.520(10) . ?
C27 C28 1.556(10) . ?
C29 C30 1.441(9) . ?
C30 C31 1.394(10) . ?
C30 C35 1.437(10) . ?
C31 C32 1.375(10) . ?
C32 C33 1.386(10) . ?
C32 C36 1.500(9) . ?
C33 C34 1.405(9) . ?
C34 C35 1.418(9) . ?
C34 C37 1.444(9) . ?
C38 C39 1.531(10) . ?
N10 O7 1.231(12) . ?
N10 O8 1.253(13) . ?
N10 O9 1.259(12) . ?
O1M C1M 1.408(10) . ?
O1W O2W 1.11(2) 2 ?
O2W O1W 1.11(2) 2 ?
O3W O4W 1.07(5) 5_576 ?
O3W O4W 1.07(5) 6_576 ?
O4W O3W 1.07(5) 5_576 ?
O4W O4W 1.75(8) 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
O5 Yb1 Zn1 N4 30.3(2) . . . . ?
O4 Yb1 Zn1 N4 161.3(3) . . . . ?
O6 Yb1 Zn1 N4 -82.6(2) . . . . ?
O3 Yb1 Zn1 N4 125.7(2) . . . . ?
N6 Yb1 Zn1 N4 -158.4(2) . . . . ?
N5 Yb1 Zn1 N4 -60.2(2) . . . . ?
N7 Yb1 Zn1 N4 44.5(2) . . . . ?
N8 Yb1 Zn1 N4 -123.4(11) . . . . ?
O5 Yb1 Zn1 O4 -131.0(3) . . . . ?
O6 Yb1 Zn1 O4 116.1(3) . . . . ?
O3 Yb1 Zn1 O4 -35.6(2) . . . . ?
N6 Yb1 Zn1 O4 40.3(2) . . . . ?
N5 Yb1 Zn1 O4 138.4(2) . . . . ?
N7 Yb1 Zn1 O4 -116.9(2) . . . . ?
N8 Yb1 Zn1 O4 75.2(11) . . . . ?
O5 Yb1 Zn1 N2 157.1(3) . . . . ?
O4 Yb1 Zn1 N2 -71.9(3) . . . . ?
O6 Yb1 Zn1 N2 44.2(2) . . . . ?
O3 Yb1 Zn1 N2 -107.5(2) . . . . ?
N6 Yb1 Zn1 N2 -31.6(2) . . . . ?
N5 Yb1 Zn1 N2 66.5(2) . . . . ?
N7 Yb1 Zn1 N2 171.3(2) . . . . ?
N8 Yb1 Zn1 N2 3.3(11) . . . . ?
O5 Yb1 Zn1 N3 -85.5(2) . . . . ?
O4 Yb1 Zn1 N3 45.6(3) . . . . ?
O6 Yb1 Zn1 N3 161.7(2) . . . . ?
O3 Yb1 Zn1 N3 10.0(2) . . . . ?
N6 Yb1 Zn1 N3 85.8(2) . . . . ?
N5 Yb1 Zn1 N3 -176.0(2) . . . . ?
N7 Yb1 Zn1 N3 -71.3(2) . . . . ?
N8 Yb1 Zn1 N3 120.8(11) . . . . ?
O5 Yb1 Zn1 O6 112.9(2) . . . . ?
O4 Yb1 Zn1 O6 -116.1(3) . . . . ?
O3 Yb1 Zn1 O6 -151.7(2) . . . . ?
N6 Yb1 Zn1 O6 -75.8(2) . . . . ?
N5 Yb1 Zn1 O6 22.3(2) . . . . ?
N7 Yb1 Zn1 O6 127.1(2) . . . . ?
N8 Yb1 Zn1 O6 -40.8(11) . . . . ?
O4 Yb1 Zn1 O5 131.0(3) . . . . ?
O6 Yb1 Zn1 O5 -112.9(2) . . . . ?
O3 Yb1 Zn1 O5 95.4(2) . . . . ?
N6 Yb1 Zn1 O5 171.3(2) . . . . ?
N5 Yb1 Zn1 O5 -90.5(2) . . . . ?
N7 Yb1 Zn1 O5 14.2(2) . . . . ?
N8 Yb1 Zn1 O5 -153.7(11) . . . . ?
C14 N1 C1 C2 129.2(7) . . . . ?
C27 N1 C1 C2 -86.2(8) . . . . ?
N4 Zn1 N2 C29 85.8(6) . . . . ?
O4 Zn1 N2 C29 -87.1(6) . . . . ?
N3 Zn1 N2 C29 -169.7(6) . . . . ?
O6 Zn1 N2 C29 -16.7(6) . . . . ?
O5 Zn1 N2 C29 -10.0(9) . . . . ?
Yb1 Zn1 N2 C29 -46.7(7) . . . . ?
N4 Zn1 N2 C28 -90.1(5) . . . . ?
O4 Zn1 N2 C28 97.0(5) . . . . ?
N3 Zn1 N2 C28 14.4(5) . . . . ?
O6 Zn1 N2 C28 167.4(5) . . . . ?
O5 Zn1 N2 C28 174.1(4) . . . . ?
Yb1 Zn1 N2 C28 137.4(4) . . . . ?
N1 C1 C2 N4 -55.9(9) . . . . ?
O5 Yb1 O3 N9 11.0(6) . . . . ?
O4 Yb1 O3 N9 -58.6(5) . . . . ?
O6 Yb1 O3 N9 -68.6(6) . . . . ?
N6 Yb1 O3 N9 -136.0(6) . . . . ?
N5 Yb1 O3 N9 152.9(5) . . . . ?
N7 Yb1 O3 N9 78.5(5) . . . . ?
N8 Yb1 O3 N9 150.7(6) . . . . ?
Zn1 Yb1 O3 N9 -36.0(6) . . . . ?
N4 Zn1 N3 C16 178.5(6) . . . . ?
O4 Zn1 N3 C16 -27.3(6) . . . . ?
N2 Zn1 N3 C16 71.2(6) . . . . ?
O6 Zn1 N3 C16 -27.0(9) . . . . ?
O5 Zn1 N3 C16 -99.8(6) . . . . ?
Yb1 Zn1 N3 C16 -56.4(6) . . . . ?
N4 Zn1 N3 C15 12.7(5) . . . . ?
O4 Zn1 N3 C15 166.9(5) . . . . ?
N2 Zn1 N3 C15 -94.6(5) . . . . ?
O6 Zn1 N3 C15 167.2(4) . . . . ?
O5 Zn1 N3 C15 94.4(5) . . . . ?
Yb1 Zn1 N3 C15 137.8(4) . . . . ?
N4 Zn1 O4 C22 139.9(6) . . . . ?
N2 Zn1 O4 C22 -56.3(6) . . . . ?
N3 Zn1 O4 C22 43.6(5) . . . . ?
O6 Zn1 O4 C22 -136.3(6) . . . . ?
O5 Zn1 O4 C22 149.9(6) . . . . ?
Yb1 Zn1 O4 C22 -178.6(6) . . . . ?
N4 Zn1 O4 Yb1 -41.5(5) . . . . ?
N2 Zn1 O4 Yb1 122.3(2) . . . . ?
N3 Zn1 O4 Yb1 -137.9(2) . . . . ?
O6 Zn1 O4 Yb1 42.24(17) . . . . ?
O5 Zn1 O4 Yb1 -31.52(16) . . . . ?
O5 Yb1 O4 C22 -148.5(6) . . . . ?
O6 Yb1 O4 C22 137.5(6) . . . . ?
O3 Yb1 O4 C22 -36.0(6) . . . . ?
N6 Yb1 O4 C22 38.9(6) . . . . ?
N5 Yb1 O4 C22 116.1(6) . . . . ?
N7 Yb1 O4 C22 -92.1(6) . . . . ?
N8 Yb1 O4 C22 8.4(7) . . . . ?
Zn1 Yb1 O4 C22 178.4(7) . . . . ?
O5 Yb1 O4 Zn1 33.15(17) . . . . ?
O6 Yb1 O4 Zn1 -40.84(17) . . . . ?
O3 Yb1 O4 Zn1 145.6(2) . . . . ?
N6 Yb1 O4 Zn1 -139.5(2) . . . . ?
N5 Yb1 O4 Zn1 -62.2(3) . . . . ?
N7 Yb1 O4 Zn1 89.5(2) . . . . ?
N8 Yb1 O4 Zn1 -170.03(19) . . . . ?
C4 C3 N4 C2 175.3(6) . . . . ?
C4 C3 N4 Zn1 15.1(10) . . . . ?
C1 C2 N4 C3 -85.1(8) . . . . ?
C1 C2 N4 Zn1 76.5(7) . . . . ?
O4 Zn1 N4 C3 -28.2(8) . . . . ?
N2 Zn1 N4 C3 168.3(5) . . . . ?
N3 Zn1 N4 C3 63.6(6) . . . . ?
O6 Zn1 N4 C3 -104.7(5) . . . . ?
O5 Zn1 N4 C3 -38.0(5) . . . . ?
Yb1 Zn1 N4 C3 -58.2(6) . . . . ?
O4 Zn1 N4 C2 172.4(4) . . . . ?
N2 Zn1 N4 C2 8.9(5) . . . . ?
N3 Zn1 N4 C2 -95.8(5) . . . . ?
O6 Zn1 N4 C2 95.9(5) . . . . ?
O5 Zn1 N4 C2 162.6(5) . . . . ?
Yb1 Zn1 N4 C2 142.5(4) . . . . ?
N4 C3 C4 C5 -161.7(7) . . . . ?
N4 C3 C4 C9 20.7(11) . . . . ?
O4 Yb1 O5 C9 119.9(7) . . . . ?
O6 Yb1 O5 C9 -168.8(7) . . . . ?
O3 Yb1 O5 C9 49.6(7) . . . . ?
N6 Yb1 O5 C9 133.5(6) . . . . ?
N5 Yb1 O5 C9 -106.7(6) . . . . ?
N7 Yb1 O5 C9 -17.2(6) . . . . ?
N8 Yb1 O5 C9 -35.1(8) . . . . ?
Zn1 Yb1 O5 C9 149.8(7) . . . . ?
O4 Yb1 O5 Zn1 -29.94(16) . . . . ?
O6 Yb1 O5 Zn1 41.39(15) . . . . ?
O3 Yb1 O5 Zn1 -100.19(17) . . . . ?
N6 Yb1 O5 Zn1 -16.3(4) . . . . ?
N5 Yb1 O5 Zn1 103.52(18) . . . . ?
N7 Yb1 O5 Zn1 -167.0(2) . . . . ?
N8 Yb1 O5 Zn1 175.1(2) . . . . ?
N4 Zn1 O5 C9 49.3(5) . . . . ?
O4 Zn1 O5 C9 -126.3(5) . . . . ?
N2 Zn1 O5 C9 150.9(5) . . . . ?
N3 Zn1 O5 C9 -49.6(5) . . . . ?
O6 Zn1 O5 C9 158.0(5) . . . . ?
Yb1 Zn1 O5 C9 -157.9(6) . . . . ?
N4 Zn1 O5 Yb1 -152.7(2) . . . . ?
O4 Zn1 O5 Yb1 31.61(16) . . . . ?
N2 Zn1 O5 Yb1 -51.2(5) . . . . ?
N3 Zn1 O5 Yb1 108.3(2) . . . . ?
O6 Zn1 O5 Yb1 -44.12(16) . . . . ?
C9 C4 C5 C6 -1.6(10) . . . . ?
C3 C4 C5 C6 -179.2(7) . . . . ?
O5 Yb1 N5 C37 -89.0(6) . . . . ?
O4 Yb1 N5 C37 -5.7(7) . . . . ?
O6 Yb1 N5 C37 -26.8(6) . . . . ?
O3 Yb1 N5 C37 128.4(6) . . . . ?
N6 Yb1 N5 C37 64.1(6) . . . . ?
N7 Yb1 N5 C37 -163.8(6) . . . . ?
N8 Yb1 N5 C37 130.7(6) . . . . ?
Zn1 Yb1 N5 C37 -42.7(6) . . . . ?
O5 Yb1 N5 C38 103.1(4) . . . . ?
O4 Yb1 N5 C38 -173.6(4) . . . . ?
O6 Yb1 N5 C38 165.3(4) . . . . ?
O3 Yb1 N5 C38 -39.5(5) . . . . ?
N6 Yb1 N5 C38 -103.7(4) . . . . ?
N7 Yb1 N5 C38 28.3(4) . . . . ?
N8 Yb1 N5 C38 -37.2(4) . . . . ?
Zn1 Yb1 N5 C38 149.5(4) . . . . ?
O5 Yb1 N6 C24 -39.7(8) . . . . ?
O4 Yb1 N6 C24 -26.0(6) . . . . ?
O6 Yb1 N6 C24 -92.3(6) . . . . ?
O3 Yb1 N6 C24 54.4(6) . . . . ?
N5 Yb1 N6 C24 -162.3(6) . . . . ?
N7 Yb1 N6 C24 101.1(6) . . . . ?
N8 Yb1 N6 C24 132.7(6) . . . . ?
Zn1 Yb1 N6 C24 -51.5(6) . . . . ?
O5 Yb1 N6 C25 163.1(4) . . . . ?
O4 Yb1 N6 C25 176.9(5) . . . . ?
O6 Yb1 N6 C25 110.5(5) . . . . ?
O3 Yb1 N6 C25 -102.7(5) . . . . ?
N5 Yb1 N6 C25 40.6(5) . . . . ?
N7 Yb1 N6 C25 -56.0(5) . . . . ?
N8 Yb1 N6 C25 -24.4(5) . . . . ?
Zn1 Yb1 N6 C25 151.4(4) . . . . ?
N4 Zn1 O6 C35 -85.1(6) . . . . ?
O4 Zn1 O6 C35 121.0(6) . . . . ?
N2 Zn1 O6 C35 18.3(6) . . . . ?
N3 Zn1 O6 C35 120.8(6) . . . . ?
O5 Zn1 O6 C35 -158.5(6) . . . . ?
Yb1 Zn1 O6 C35 160.5(6) . . . . ?
N4 Zn1 O6 Yb1 114.4(2) . . . . ?
O4 Zn1 O6 Yb1 -39.42(16) . . . . ?
N2 Zn1 O6 Yb1 -142.1(2) . . . . ?
N3 Zn1 O6 Yb1 -39.7(5) . . . . ?
O5 Zn1 O6 Yb1 40.99(15) . . . . ?
O5 Yb1 O6 C35 157.5(6) . . . . ?
O4 Yb1 O6 C35 -120.6(6) . . . . ?
O3 Yb1 O6 C35 -110.0(6) . . . . ?
N6 Yb1 O6 C35 -48.6(6) . . . . ?
N5 Yb1 O6 C35 43.5(6) . . . . ?
N7 Yb1 O6 C35 117.3(6) . . . . ?
N8 Yb1 O6 C35 14.9(7) . . . . ?
Zn1 Yb1 O6 C35 -159.0(7) . . . . ?
O5 Yb1 O6 Zn1 -43.48(16) . . . . ?
O4 Yb1 O6 Zn1 38.39(16) . . . . ?
O3 Yb1 O6 Zn1 48.9(3) . . . . ?
N6 Yb1 O6 Zn1 110.41(18) . . . . ?
N5 Yb1 O6 Zn1 -157.6(2) . . . . ?
N7 Yb1 O6 Zn1 -83.8(2) . . . . ?
N8 Yb1 O6 Zn1 173.92(17) . . . . ?
C4 C5 C6 C7 6.1(10) . . . . ?
C4 C5 C6 C10 -172.3(6) . . . . ?
C5 C6 C7 C8 -3.8(10) . . . . ?
C10 C6 C7 C8 174.6(6) . . . . ?
O5 Yb1 N7 C11 28.0(6) . . . . ?
O4 Yb1 N7 C11 -28.7(7) . . . . ?
O6 Yb1 N7 C11 67.1(6) . . . . ?
O3 Yb1 N7 C11 -85.9(6) . . . . ?
N6 Yb1 N7 C11 -132.1(6) . . . . ?
N5 Yb1 N7 C11 131.7(6) . . . . ?
N8 Yb1 N7 C11 -163.8(6) . . . . ?
Zn1 Yb1 N7 C11 17.7(6) . . . . ?
O5 Yb1 N7 C12 -171.4(5) . . . . ?
O4 Yb1 N7 C12 131.9(4) . . . . ?
O6 Yb1 N7 C12 -132.3(4) . . . . ?
O3 Yb1 N7 C12 74.7(5) . . . . ?
N6 Yb1 N7 C12 28.6(6) . . . . ?
N5 Yb1 N7 C12 -67.7(5) . . . . ?
N8 Yb1 N7 C12 -3.2(4) . . . . ?
Zn1 Yb1 N7 C12 178.3(4) . . . . ?
C6 C7 C8 C9 -3.1(11) . . . . ?
C6 C7 C8 C11 169.6(6) . . . . ?
O5 Yb1 N8 C13 46.5(5) . . . . ?
O4 Yb1 N8 C13 -95.8(5) . . . . ?
O6 Yb1 N8 C13 160.0(4) . . . . ?
O3 Yb1 N8 C13 -50.6(4) . . . . ?
N6 Yb1 N8 C13 -127.2(5) . . . . ?
N5 Yb1 N8 C13 131.0(5) . . . . ?
N7 Yb1 N8 C13 28.0(4) . . . . ?
Zn1 Yb1 N8 C13 -163.5(8) . . . . ?
O5 Yb1 N8 C26 164.6(4) . . . . ?
O4 Yb1 N8 C26 22.4(5) . . . . ?
O6 Yb1 N8 C26 -81.9(5) . . . . ?
O3 Yb1 N8 C26 67.6(4) . . . . ?
N6 Yb1 N8 C26 -9.1(4) . . . . ?
N5 Yb1 N8 C26 -110.9(5) . . . . ?
N7 Yb1 N8 C26 146.1(5) . . . . ?
Zn1 Yb1 N8 C26 -45.3(13) . . . . ?
O5 Yb1 N8 C39 -74.5(5) . . . . ?
O4 Yb1 N8 C39 143.2(4) . . . . ?
O6 Yb1 N8 C39 38.9(5) . . . . ?
O3 Yb1 N8 C39 -171.6(5) . . . . ?
N6 Yb1 N8 C39 111.8(5) . . . . ?
N5 Yb1 N8 C39 9.9(4) . . . . ?
N7 Yb1 N8 C39 -93.0(5) . . . . ?
Zn1 Yb1 N8 C39 75.5(12) . . . . ?
Yb1 O5 C9 C8 1.5(10) . . . . ?
Zn1 O5 C9 C8 145.8(5) . . . . ?
Yb1 O5 C9 C4 179.9(4) . . . . ?
Zn1 O5 C9 C4 -35.8(8) . . . . ?
C7 C8 C9 O5 -174.0(6) . . . . ?
C11 C8 C9 O5 13.6(10) . . . . ?
C7 C8 C9 C4 7.6(9) . . . . ?
C11 C8 C9 C4 -164.9(6) . . . . ?
C5 C4 C9 O5 176.2(6) . . . . ?
C3 C4 C9 O5 -6.3(10) . . . . ?
C5 C4 C9 C8 -5.3(9) . . . . ?
C3 C4 C9 C8 172.2(6) . . . . ?
Yb1 O3 N9 O2 -12.5(10) . . . . ?
Yb1 O3 N9 O1 165.8(5) . . . . ?
C12 N7 C11 C8 169.9(7) . . . . ?
Yb1 N7 C11 C8 -29.2(11) . . . . ?
C7 C8 C11 N7 -169.3(7) . . . . ?
C9 C8 C11 N7 3.4(12) . . . . ?
C11 N7 C12 C13 140.2(7) . . . . ?
Yb1 N7 C12 C13 -21.9(7) . . . . ?
C26 N8 C13 C12 -168.0(5) . . . . ?
C39 N8 C13 C12 72.3(7) . . . . ?
Yb1 N8 C13 C12 -50.3(6) . . . . ?
N7 C12 C13 N8 49.7(7) . . . . ?
C1 N1 C14 C15 -85.6(8) . . . . ?
C27 N1 C14 C15 129.1(7) . . . . ?
C16 N3 C15 C14 -93.5(7) . . . . ?
Zn1 N3 C15 C14 73.6(7) . . . . ?
N1 C14 C15 N3 -57.8(8) . . . . ?
C15 N3 C16 C17 174.0(7) . . . . ?
Zn1 N3 C16 C17 8.0(10) . . . . ?
N3 C16 C17 C18 -167.0(7) . . . . ?
N3 C16 C17 C22 14.1(12) . . . . ?
C22 C17 C18 C19 -2.6(11) . . . . ?
C16 C17 C18 C19 178.5(7) . . . . ?
C17 C18 C19 C20 2.7(11) . . . . ?
C17 C18 C19 C23 -177.5(7) . . . . ?
C18 C19 C20 C21 -0.9(11) . . . . ?
C23 C19 C20 C21 179.3(7) . . . . ?
C19 C20 C21 C22 -1.0(11) . . . . ?
C19 C20 C21 C24 178.4(7) . . . . ?
Zn1 O4 C22 C17 -38.1(9) . . . . ?
Yb1 O4 C22 C17 143.9(5) . . . . ?
Zn1 O4 C22 C21 143.6(5) . . . . ?
Yb1 O4 C22 C21 -34.4(10) . . . . ?
C18 C17 C22 O4 -177.8(6) . . . . ?
C16 C17 C22 O4 1.0(11) . . . . ?
C18 C17 C22 C21 0.6(10) . . . . ?
C16 C17 C22 C21 179.4(6) . . . . ?
C20 C21 C22 O4 179.5(6) . . . . ?
C24 C21 C22 O4 0.2(11) . . . . ?
C20 C21 C22 C17 1.2(10) . . . . ?
C24 C21 C22 C17 -178.2(7) . . . . ?
C25 N6 C24 C21 169.6(7) . . . . ?
Yb1 N6 C24 C21 13.1(11) . . . . ?
C20 C21 C24 N6 -171.5(7) . . . . ?
C22 C21 C24 N6 7.9(12) . . . . ?
C24 N6 C25 C26 -105.0(7) . . . . ?
Yb1 N6 C25 C26 54.9(6) . . . . ?
C13 N8 C26 C25 157.7(6) . . . . ?
C39 N8 C26 C25 -82.2(7) . . . . ?
Yb1 N8 C26 C25 40.6(6) . . . . ?
N6 C25 C26 N8 -63.8(7) . . . . ?
C1 N1 C27 C28 130.0(6) . . . . ?
C14 N1 C27 C28 -84.2(7) . . . . ?
C29 N2 C28 C27 -101.6(7) . . . . ?
Zn1 N2 C28 C27 74.8(7) . . . . ?
N1 C27 C28 N2 -59.3(8) . . . . ?
C28 N2 C29 C30 -175.5(7) . . . . ?
Zn1 N2 C29 C30 8.6(12) . . . . ?
N2 C29 C30 C31 -176.1(7) . . . . ?
N2 C29 C30 C35 8.4(12) . . . . ?
C35 C30 C31 C32 -0.3(11) . . . . ?
C29 C30 C31 C32 -176.1(7) . . . . ?
C30 C31 C32 C33 0.4(11) . . . . ?
C30 C31 C32 C36 -178.2(7) . . . . ?
C31 C32 C33 C34 0.5(11) . . . . ?
C36 C32 C33 C34 179.1(7) . . . . ?
C32 C33 C34 C35 -1.4(11) . . . . ?
C32 C33 C34 C37 -178.5(7) . . . . ?
Zn1 O6 C35 C34 167.7(5) . . . . ?
Yb1 O6 C35 C34 -40.1(10) . . . . ?
Zn1 O6 C35 C30 -10.2(10) . . . . ?
Yb1 O6 C35 C30 142.0(5) . . . . ?
C33 C34 C35 O6 -176.7(6) . . . . ?
C37 C34 C35 O6 0.3(10) . . . . ?
C33 C34 C35 C30 1.4(10) . . . . ?
C37 C34 C35 C30 178.3(6) . . . . ?
C31 C30 C35 O6 177.4(6) . . . . ?
C29 C30 C35 O6 -7.2(11) . . . . ?
C31 C30 C35 C34 -0.5(10) . . . . ?
C29 C30 C35 C34 174.8(7) . . . . ?
C38 N5 C37 C34 177.8(6) . . . . ?
Yb1 N5 C37 C34 10.4(10) . . . . ?
C33 C34 C37 N5 -170.3(7) . . . . ?
C35 C34 C37 N5 12.7(11) . . . . ?
C37 N5 C38 C39 -109.2(7) . . . . ?
Yb1 N5 C38 C39 60.7(6) . . . . ?
C13 N8 C39 C38 -102.7(7) . . . . ?
C26 N8 C39 C38 137.6(6) . . . . ?
Yb1 N8 C39 C38 17.1(7) . . . . ?
N5 C38 C39 N8 -49.9(8) . . . . ?
