#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/00/01/8000119.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_8000119
loop_
_publ_author_name
'Akine, Shigehisa'
'Taniguchi, Takanori'
'Nabeshima, Tatsuya'
_publ_section_title
;
 Heterometallic Zn2La and ZnLu Complexes Formed by Site-selective
 Transmetalation of a Dimeric Homotrinuclear Zinc(II) Complex
;
_journal_issue                   6
_journal_name_full               'Chemistry Letters'
_journal_page_first              604
_journal_paper_doi               10.1246/cl.2006.604
_journal_volume                  35
_journal_year                    2006
_chemical_formula_moiety         C45H59LaN5O22Zn2
_chemical_formula_sum            'C45 H59 La N5 O22 Zn2'
_chemical_formula_weight         1291.62
_chemical_melting_point_gt       573
_chemical_name_common            '[L2Zn2La(OAc)2](NO3) 2H2O EtOH 1/2hex'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.913(4)
_cell_angle_beta                 101.5164(13)
_cell_angle_gamma                108.1109(9)
_cell_formula_units_Z            2
_cell_length_a                   12.0194(7)
_cell_length_b                   14.5924(13)
_cell_length_c                   16.5166(14)
_cell_measurement_reflns_used    19421
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.40
_cell_volume                     2623.7(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Rigaku Mercury CCD diffractometer'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19421
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.790
_exptl_absorpt_correction_T_max  0.8413
_exptl_absorpt_correction_T_min  0.5345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Corp., 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1314
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.306
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     677
_refine_ls_number_reflns         11353
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0382
_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)+(0.0676P)²+5.8325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                8970
_reflns_number_total             11353
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            35-604sup2.cif
_cod_data_source_block           L2Zn2La
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_melting_point_gt' since the value was specified 'more
than' ('>') a certain temperature. The value '>573' was changed to
'573' - it should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8000119
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
La1 La 0.217278(17) 0.270746(14) 0.322990(12) 0.01668(7) Uani 1 1 d . . .
Zn1 Zn 0.36209(4) 0.21825(3) 0.16373(3) 0.01973(10) Uani 1 1 d . . .
Zn2 Zn 0.07201(4) 0.31925(3) 0.48310(3) 0.01876(10) Uani 1 1 d . . .
C1 C 0.5078(3) 0.1103(3) 0.3019(3) 0.0232(8) Uani 1 1 d . . .
C2 C 0.4461(3) 0.1699(3) 0.3355(2) 0.0186(7) Uani 1 1 d . . .
C3 C 0.4516(3) 0.1825(3) 0.4234(2) 0.0193(7) Uani 1 1 d . . .
C4 C 0.5152(4) 0.1404(3) 0.4749(3) 0.0267(8) Uani 1 1 d . . .
H1 H 0.5192 0.1515 0.5338 0.032 Uiso 1 1 calc R . .
C5 C 0.5739(4) 0.0812(3) 0.4410(3) 0.0336(9) Uani 1 1 d . . .
H2 H 0.6165 0.0511 0.4766 0.040 Uiso 1 1 calc R . .
C6 C 0.5702(4) 0.0664(3) 0.3565(3) 0.0299(9) Uani 1 1 d . . .
H3 H 0.6105 0.0258 0.3342 0.036 Uiso 1 1 calc R . .
O1 O 0.3823(2) 0.21108(19) 0.28937(16) 0.0205(5) Uani 1 1 d . . .
O2 O 0.3879(2) 0.24040(19) 0.44981(15) 0.0204(5) Uani 1 1 d . . .
C7 C 0.4038(4) 0.2668(3) 0.5405(2) 0.0256(8) Uani 1 1 d . . .
H4 H 0.3783 0.2064 0.5614 0.038 Uiso 1 1 calc R . .
H5 H 0.3545 0.3068 0.5527 0.038 Uiso 1 1 calc R . .
H6 H 0.4895 0.3050 0.5687 0.038 Uiso 1 1 calc R . .
C8 C 0.5043(4) 0.0866(3) 0.2131(3) 0.0267(8) Uani 1 1 d . . .
H7 H 0.5393 0.0393 0.1959 0.032 Uiso 1 1 calc R . .
N1 N 0.4579(3) 0.1237(2) 0.1553(2) 0.0252(7) Uani 1 1 d . . .
O3 O 0.4559(3) 0.0741(2) 0.07277(18) 0.0335(7) Uani 1 1 d . . .
C9 C 0.5297(5) 0.1413(4) 0.0317(3) 0.0400(11) Uani 1 1 d . . .
H8 H 0.5242 0.1037 -0.0251 0.048 Uiso 1 1 calc R . .
H9 H 0.6154 0.1644 0.0652 0.048 Uiso 1 1 calc R . .
C10 C 0.4968(4) 0.2299(3) 0.0210(3) 0.0329(9) Uani 1 1 d . . .
H10 H 0.5125 0.2726 0.0778 0.039 Uiso 1 1 calc R . .
H11 H 0.5500 0.2685 -0.0099 0.039 Uiso 1 1 calc R . .
O4 O 0.3729(3) 0.2063(3) -0.02407(18) 0.0406(8) Uani 1 1 d . . .
N2 N 0.2966(3) 0.1923(3) 0.0315(2) 0.0299(8) Uani 1 1 d . . .
C11 C 0.1847(4) 0.1632(3) -0.0121(2) 0.0305(9) Uani 1 1 d . . .
H12 H 0.1695 0.1541 -0.0721 0.037 Uiso 1 1 calc R . .
C12 C 0.0801(4) 0.1432(3) 0.0229(2) 0.0279(8) Uani 1 1 d . . .
C13 C 0.0873(3) 0.1561(3) 0.1102(2) 0.0220(7) Uani 1 1 d . . .
C14 C -0.0217(3) 0.1306(3) 0.1356(2) 0.0232(8) Uani 1 1 d . . .
C15 C -0.1334(4) 0.0924(3) 0.0768(3) 0.0310(9) Uani 1 1 d . . .
H13 H -0.2056 0.0737 0.0951 0.037 Uiso 1 1 calc R . .
C16 C -0.1400(4) 0.0814(4) -0.0091(3) 0.0398(11) Uani 1 1 d . . .
H14 H -0.2169 0.0565 -0.0496 0.048 Uiso 1 1 calc R . .
C17 C -0.0355(4) 0.1063(3) -0.0357(3) 0.0363(10) Uani 1 1 d . . .
H15 H -0.0412 0.0986 -0.0948 0.044 Uiso 1 1 calc R . .
O5 O 0.1915(2) 0.1928(2) 0.17096(16) 0.0231(6) Uani 1 1 d . . .
O6 O -0.0034(2) 0.1482(2) 0.22272(17) 0.0241(6) Uani 1 1 d . . .
C18 C -0.1090(4) 0.1097(3) 0.2532(3) 0.0301(9) Uani 1 1 d . . .
H16 H -0.1672 0.1419 0.2353 0.045 Uiso 1 1 calc R . .
H17 H -0.0848 0.1232 0.3154 0.045 Uiso 1 1 calc R . .
H18 H -0.1468 0.0380 0.2297 0.045 Uiso 1 1 calc R . .
C19 C -0.1434(3) 0.3423(3) 0.3216(3) 0.0263(8) Uani 1 1 d . . .
C20 C -0.0310(3) 0.3465(3) 0.3058(2) 0.0225(7) Uani 1 1 d . . .
C21 C -0.0128(3) 0.3624(3) 0.2266(3) 0.0244(8) Uani 1 1 d . . .
C22 C -0.0998(4) 0.3769(3) 0.1667(3) 0.0322(9) Uani 1 1 d . . .
H19 H -0.0850 0.3888 0.1142 0.039 Uiso 1 1 calc R . .
C23 C -0.2101(4) 0.3740(3) 0.1841(3) 0.0378(11) Uani 1 1 d . . .
H20 H -0.2699 0.3848 0.1434 0.045 Uiso 1 1 calc R . .
C24 C -0.2322(4) 0.3557(3) 0.2590(3) 0.0341(10) Uani 1 1 d . . .
H21 H -0.3083 0.3519 0.2692 0.041 Uiso 1 1 calc R . .
O7 O 0.0559(2) 0.3326(2) 0.35929(17) 0.0224(5) Uani 1 1 d . . .
O8 O 0.0982(2) 0.3608(2) 0.21621(17) 0.0265(6) Uani 1 1 d . . .
C25 C 0.1294(4) 0.3900(4) 0.1425(3) 0.0347(10) Uani 1 1 d . . .
H22 H 0.0684 0.3454 0.0914 0.052 Uiso 1 1 calc R . .
H23 H 0.2092 0.3866 0.1413 0.052 Uiso 1 1 calc R . .
H24 H 0.1319 0.4581 0.1444 0.052 Uiso 1 1 calc R . .
C26 C -0.1745(4) 0.3214(3) 0.3986(3) 0.0287(9) Uani 1 1 d . . .
H25 H -0.2565 0.3090 0.3997 0.034 Uiso 1 1 calc R . .
N3 N -0.1017(3) 0.3181(2) 0.4654(2) 0.0273(7) Uani 1 1 d . . .
O9 O -0.1647(3) 0.2871(2) 0.5269(2) 0.0352(7) Uani 1 1 d . . .
C27 C -0.1218(5) 0.3619(4) 0.6045(3) 0.0406(11) Uani 1 1 d . . .
H26 H -0.1694 0.3374 0.6442 0.049 Uiso 1 1 calc R . .
H27 H -0.1386 0.4213 0.5921 0.049 Uiso 1 1 calc R . .
C28 C 0.0109(4) 0.3929(3) 0.6486(3) 0.0316(9) Uani 1 1 d . . .
H28 H 0.0594 0.4262 0.6127 0.038 Uiso 1 1 calc R . .
H29 H 0.0294 0.4415 0.7028 0.038 Uiso 1 1 calc R . .
O10 O 0.0464(3) 0.3115(2) 0.66588(19) 0.0331(7) Uani 1 1 d . . .
N4 N 0.0719(3) 0.2637(2) 0.5938(2) 0.0240(7) Uani 1 1 d . . .
C29 C 0.1006(3) 0.1897(3) 0.6098(2) 0.0239(8) Uani 1 1 d . . .
H30 H 0.1038 0.1781 0.6651 0.029 Uiso 1 1 calc R . .
C30 C 0.1288(3) 0.1221(3) 0.5497(2) 0.0210(7) Uani 1 1 d . . .
C31 C 0.1361(3) 0.1330(3) 0.4679(2) 0.0179(7) Uani 1 1 d . . .
C32 C 0.1590(3) 0.0593(3) 0.4147(2) 0.0197(7) Uani 1 1 d . . .
C33 C 0.1730(3) -0.0224(3) 0.4409(2) 0.0219(7) Uani 1 1 d . . .
H31 H 0.1867 -0.0718 0.4036 0.026 Uiso 1 1 calc R . .
C34 C 0.1669(3) -0.0323(3) 0.5229(3) 0.0239(8) Uani 1 1 d . . .
H32 H 0.1772 -0.0881 0.5418 0.029 Uiso 1 1 calc R . .
C35 C 0.1459(3) 0.0389(3) 0.5762(2) 0.0223(7) Uani 1 1 d . . .
H33 H 0.1429 0.0320 0.6320 0.027 Uiso 1 1 calc R . .
O11 O 0.1241(2) 0.20934(18) 0.43711(16) 0.0197(5) Uani 1 1 d . . .
O12 O 0.1662(2) 0.07908(19) 0.33606(16) 0.0210(5) Uani 1 1 d . . .
C36 C 0.1643(4) -0.0001(3) 0.2722(3) 0.0301(9) Uani 1 1 d . . .
H34 H 0.2369 -0.0169 0.2897 0.045 Uiso 1 1 calc R . .
H35 H 0.1630 0.0207 0.2184 0.045 Uiso 1 1 calc R . .
H36 H 0.0917 -0.0582 0.2646 0.045 Uiso 1 1 calc R . .
O13 O 0.3654(2) 0.4042(2) 0.27718(17) 0.0245(6) Uani 1 1 d D . .
O14 O 0.4696(2) 0.3587(2) 0.19099(17) 0.0267(6) Uani 1 1 d . . .
C37 C 0.4528(3) 0.4228(3) 0.2437(2) 0.0238(8) Uani 1 1 d . . .
C38 C 0.5439(5) 0.5270(3) 0.2653(3) 0.0416(11) Uani 1 1 d . . .
H37 H 0.5227 0.5613 0.2214 0.062 Uiso 1 1 calc R . .
H38 H 0.6251 0.5246 0.2682 0.062 Uiso 1 1 calc R . .
H39 H 0.5430 0.5628 0.3204 0.062 Uiso 1 1 calc R . .
O15 O 0.3094(2) 0.4132(2) 0.44647(17) 0.0240(6) Uani 1 1 d . . .
O16 O 0.2028(2) 0.44968(19) 0.53397(17) 0.0243(6) Uani 1 1 d . . .
C39 C 0.2950(3) 0.4706(3) 0.5044(2) 0.0203(7) Uani 1 1 d . . .
C40 C 0.3917(3) 0.5706(3) 0.5417(3) 0.0287(9) Uani 1 1 d . . .
H40 H 0.4713 0.5658 0.5417 0.043 Uiso 1 1 calc R . .
H41 H 0.3901 0.5945 0.6001 0.043 Uiso 1 1 calc R . .
H42 H 0.3772 0.6171 0.5076 0.043 Uiso 1 1 calc R . .
O17 O 0.3109(6) 0.5881(5) 0.3131(5) 0.111(2) Uani 1 1 d D . .
H43 H 0.340(9) 0.529(5) 0.310(6) 0.166 Uiso 1 1 d D . .
H44 H 0.338(11) 0.615(5) 0.263(5) 0.166 Uiso 1 1 d D . .
N5 N 0.6886(5) 0.8437(3) 0.2105(3) 0.0512(12) Uani 1 1 d . . .
O18 O 0.8002(4) 0.8650(3) 0.2100(2) 0.0519(9) Uani 1 1 d . . .
O19 O 0.6413(4) 0.9067(3) 0.2086(3) 0.0573(10) Uani 1 1 d . . .
O20 O 0.6291(5) 0.7577(4) 0.2167(4) 0.0936(18) Uani 1 1 d . . .
C41 C 0.3314(19) 0.8291(14) 0.1634(13) 0.166(8) Uiso 0.70 1 d PD A 1
H45 H 0.3076 0.8867 0.1778 0.249 Uiso 0.70 1 calc PR A 1
H46 H 0.2664 0.7784 0.1176 0.249 Uiso 0.70 1 calc PR A 1
H47 H 0.4059 0.8493 0.1447 0.249 Uiso 0.70 1 calc PR A 1
C42 C 0.305(3) 0.831(3) 0.310(2) 0.123(12) Uiso 0.30 1 d PD A 2
H48 H 0.2476 0.8605 0.2848 0.184 Uiso 0.30 1 calc PR A 2
H49 H 0.3731 0.8829 0.3533 0.184 Uiso 0.30 1 calc PR A 2
H50 H 0.2647 0.7793 0.3363 0.184 Uiso 0.30 1 calc PR A 2
C43 C 0.3534(19) 0.7869(15) 0.2411(11) 0.233(9) Uiso 1 1 d D . .
H51 H 0.2794 0.7628 0.2610 0.279 Uiso 0.70 1 calc PR A 1
H52 H 0.4207 0.8347 0.2885 0.279 Uiso 0.70 1 calc PR A 1
H53 H 0.2867 0.7326 0.1980 0.279 Uiso 0.30 1 calc PR A 2
H54 H 0.3927 0.8380 0.2126 0.279 Uiso 0.30 1 calc PR A 2
O21 O 0.3885(12) 0.6999(9) 0.1984(9) 0.151(4) Uiso 0.70 1 d PD A 1
H55 H 0.4641 0.7190 0.2056 0.226 Uiso 0.70 1 calc PR A 1
O22 O 0.440(2) 0.750(2) 0.2842(19) 0.163(11) Uiso 0.30 1 d PD A 2
H56 H 0.4958 0.7545 0.2594 0.245 Uiso 0.30 1 calc PR A 2
C44 C 0.2703(17) 0.5466(19) 0.0222(16) 0.137(8) Uiso 0.50 1 d PD B 1
H57 H 0.2570 0.5992 0.0594 0.205 Uiso 0.50 1 calc PR B 1
H58 H 0.2211 0.4819 0.0285 0.205 Uiso 0.50 1 calc PR B 1
H59 H 0.2468 0.5511 -0.0369 0.205 Uiso 0.50 1 calc PR B 1
C45 C 0.4008(19) 0.558(2) 0.0462(18) 0.177(12) Uiso 0.50 1 d PD B 1
H60 H 0.4231 0.5509 0.1053 0.213 Uiso 0.50 1 calc PR B 1
H61 H 0.4504 0.6260 0.0446 0.213 Uiso 0.50 1 calc PR B 1
C46 C 0.4303(9) 0.484(2) -0.011(2) 0.200(15) Uiso 0.50 1 d PD . 1
H62 H 0.3982 0.4833 -0.0717 0.240 Uiso 0.50 1 calc PR . 1
H63 H 0.3939 0.4166 -0.0027 0.240 Uiso 0.50 1 calc PR . 1
C47 C 0.202(2) 0.5969(18) 0.0555(18) 0.181(12) Uiso 0.50 1 d PD C 2
H64 H 0.2909 0.6236 0.0699 0.271 Uiso 0.50 1 calc PR C 2
H65 H 0.1755 0.5864 0.1067 0.271 Uiso 0.50 1 calc PR C 2
H66 H 0.1698 0.6440 0.0320 0.271 Uiso 0.50 1 calc PR C 2
C48 C 0.1531(13) 0.4944(15) -0.0130(13) 0.108(6) Uiso 0.50 1 d PD C 2
H67 H 0.1794 0.5034 -0.0653 0.130 Uiso 0.50 1 calc PR C 2
H68 H 0.1835 0.4453 0.0100 0.130 Uiso 0.50 1 calc PR C 2
C49 C 0.0133(14) 0.4598(14) -0.0318(13) 0.136(8) Uiso 0.50 1 d PD . 2
H69 H -0.0201 0.3930 -0.0212 0.164 Uiso 0.50 1 calc PR . 2
H70 H -0.0234 0.4576 -0.0916 0.164 Uiso 0.50 1 calc PR . 2
O23 O 0.071(3) 0.357(2) -0.1190(17) 0.221(10) Uiso 0.50 1 d P D 1
O24 O 0.219(3) 0.389(3) -0.100(2) 0.295(16) Uiso 0.50 1 d P E 2
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'
La La -0.2871 2.4523 '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
O15 La1 O5 150.85(9) . .
O15 La1 O7 70.44(8) . .
O5 La1 O7 118.53(8) . .
O15 La1 O11 76.11(9) . .
O5 La1 O11 133.03(9) . .
O7 La1 O11 62.25(8) . .
O15 La1 O1 108.38(8) . .
O5 La1 O1 62.58(8) . .
O7 La1 O1 178.81(8) . .
O11 La1 O1 117.45(8) . .
O15 La1 O13 73.87(9) . .
O5 La1 O13 77.03(9) . .
O7 La1 O13 108.90(8) . .
O11 La1 O13 149.88(8) . .
O1 La1 O13 70.75(8) . .
O15 La1 O6 140.59(8) . .
O5 La1 O6 59.16(8) . .
O7 La1 O6 70.48(8) . .
O11 La1 O6 81.50(8) . .
O1 La1 O6 110.67(8) . .
O13 La1 O6 124.51(8) . .
O15 La1 O12 123.25(8) . .
O5 La1 O12 81.58(8) . .
O7 La1 O12 109.91(8) . .
O11 La1 O12 58.55(8) . .
O1 La1 O12 70.52(8) . .
O13 La1 O12 141.02(8) . .
O6 La1 O12 67.07(8) . .
O15 La1 O8 97.14(9) . .
O5 La1 O8 70.16(9) . .
O7 La1 O8 58.01(8) . .
O11 La1 O8 118.25(8) . .
O1 La1 O8 122.60(8) . .
O13 La1 O8 68.48(8) . .
O6 La1 O8 65.81(8) . .
O12 La1 O8 132.56(8) . .
O15 La1 O2 67.81(8) . .
O5 La1 O2 118.38(8) . .
O7 La1 O2 121.04(8) . .
O11 La1 O2 68.66(8) . .
O1 La1 O2 58.03(8) . .
O13 La1 O2 97.36(8) . .
O6 La1 O2 131.78(8) . .
O12 La1 O2 65.16(7) . .
O8 La1 O2 162.27(8) . .
O15 La1 Zn1 124.38(6) . .
O5 La1 Zn1 33.28(6) . .
O7 La1 Zn1 145.92(6) . .
O11 La1 Zn1 145.77(6) . .
O1 La1 Zn1 34.87(6) . .
O13 La1 Zn1 57.04(6) . .
O6 La1 Zn1 91.78(6) . .
O12 La1 Zn1 87.85(5) . .
O8 La1 Zn1 88.40(6) . .
O2 La1 Zn1 92.61(5) . .
O15 La1 Zn2 56.12(6) . .
O5 La1 Zn2 146.66(6) . .
O7 La1 Zn2 34.75(6) . .
O11 La1 Zn2 33.25(6) . .
O1 La1 Zn2 144.47(6) . .
O13 La1 Zn2 123.83(6) . .
O6 La1 Zn2 87.99(6) . .
O12 La1 Zn2 91.18(5) . .
O8 La1 Zn2 92.38(6) . .
O2 La1 Zn2 86.83(5) . .
Zn1 La1 Zn2 179.015(11) . .
O14 Zn1 O5 116.47(12) . .
O14 Zn1 N1 111.74(13) . .
O5 Zn1 N1 130.60(13) . .
O14 Zn1 O1 94.05(11) . .
O5 Zn1 O1 80.01(10) . .
N1 Zn1 O1 86.68(12) . .
O14 Zn1 N2 100.66(12) . .
O5 Zn1 N2 87.72(13) . .
N1 Zn1 N2 93.67(14) . .
O1 Zn1 N2 163.98(12) . .
O14 Zn1 La1 90.86(8) . .
O5 Zn1 La1 43.48(7) . .
N1 Zn1 La1 128.29(9) . .
O1 Zn1 La1 44.34(7) . .
N2 Zn1 La1 128.33(11) . .
O16 Zn2 O11 115.95(11) . .
O16 Zn2 N3 116.18(12) . .
O11 Zn2 N3 126.96(12) . .
O16 Zn2 O7 95.35(11) . .
O11 Zn2 O7 79.82(10) . .
N3 Zn2 O7 86.43(12) . .
O16 Zn2 N4 98.53(12) . .
O11 Zn2 N4 87.28(11) . .
N3 Zn2 N4 94.17(14) . .
O7 Zn2 N4 164.18(12) . .
O16 Zn2 La1 90.84(8) . .
O11 Zn2 La1 43.85(7) . .
N3 Zn2 La1 126.90(10) . .
O7 Zn2 La1 44.07(7) . .
N4 Zn2 La1 127.81(9) . .
C6 C1 C2 119.1(4) . .
C6 C1 C8 117.2(3) . .
C2 C1 C8 123.6(3) . .
O1 C2 C3 118.7(3) . .
O1 C2 C1 123.7(3) . .
C3 C2 C1 117.6(3) . .
C4 C3 O2 124.9(3) . .
C4 C3 C2 121.7(3) . .
O2 C3 C2 113.3(3) . .
C3 C4 C5 120.1(4) . .
C3 C4 H1 119.9 . .
C5 C4 H1 119.9 . .
C6 C5 C4 120.2(4) . .
C6 C5 H2 119.9 . .
C4 C5 H2 119.9 . .
C5 C6 C1 121.2(4) . .
C5 C6 H3 119.4 . .
C1 C6 H3 119.4 . .
C2 O1 Zn1 130.2(2) . .
C2 O1 La1 127.9(2) . .
Zn1 O1 La1 100.78(9) . .
C3 O2 C7 115.6(3) . .
C3 O2 La1 117.2(2) . .
C7 O2 La1 126.6(2) . .
O2 C7 H4 109.5 . .
O2 C7 H5 109.5 . .
H4 C7 H5 109.5 . .
O2 C7 H6 109.5 . .
H4 C7 H6 109.5 . .
H5 C7 H6 109.5 . .
N1 C8 C1 125.8(4) . .
N1 C8 H7 117.1 . .
C1 C8 H7 117.1 . .
C8 N1 O3 110.8(3) . .
C8 N1 Zn1 129.3(3) . .
O3 N1 Zn1 118.7(2) . .
N1 O3 C9 111.7(3) . .
O3 C9 C10 115.8(4) . .
O3 C9 H8 108.3 . .
C10 C9 H8 108.3 . .
O3 C9 H9 108.3 . .
C10 C9 H9 108.3 . .
H8 C9 H9 107.4 . .
O4 C10 C9 113.8(4) . .
O4 C10 H10 108.8 . .
C9 C10 H10 108.8 . .
O4 C10 H11 108.8 . .
C9 C10 H11 108.8 . .
H10 C10 H11 107.7 . .
N2 O4 C10 110.9(3) . .
C11 N2 O4 109.3(3) . .
C11 N2 Zn1 127.3(3) . .
O4 N2 Zn1 123.4(3) . .
N2 C11 C12 125.4(4) . .
N2 C11 H12 117.3 . .
C12 C11 H12 117.3 . .
C13 C12 C17 118.8(4) . .
C13 C12 C11 124.3(4) . .
C17 C12 C11 116.9(4) . .
O5 C13 C12 123.8(4) . .
O5 C13 C14 117.6(3) . .
C12 C13 C14 118.5(3) . .
C15 C14 O6 125.2(4) . .
C15 C14 C13 121.4(4) . .
O6 C14 C13 113.4(3) . .
C14 C15 C16 119.8(4) . .
C14 C15 H13 120.1 . .
C16 C15 H13 120.1 . .
C17 C16 C15 120.1(4) . .
C17 C16 H14 119.9 . .
C15 C16 H14 120.0 . .
C16 C17 C12 121.3(4) . .
C16 C17 H15 119.3 . .
C12 C17 H15 119.3 . .
C13 O5 Zn1 130.5(2) . .
C13 O5 La1 125.7(2) . .
Zn1 O5 La1 103.24(10) . .
C14 O6 C18 116.5(3) . .
C14 O6 La1 118.6(2) . .
C18 O6 La1 124.4(2) . .
O6 C18 H16 109.5 . .
O6 C18 H17 109.5 . .
H16 C18 H17 109.5 . .
O6 C18 H18 109.5 . .
H16 C18 H18 109.5 . .
H17 C18 H18 109.5 . .
C20 C19 C24 119.4(4) . .
C20 C19 C26 122.9(4) . .
C24 C19 C26 117.6(4) . .
O7 C20 C21 118.1(3) . .
O7 C20 C19 123.7(4) . .
C21 C20 C19 118.1(3) . .
C22 C21 O8 125.0(4) . .
C22 C21 C20 121.6(4) . .
O8 C21 C20 113.4(3) . .
C21 C22 C23 119.4(4) . .
C21 C22 H19 120.3 . .
C23 C22 H19 120.3 . .
C24 C23 C22 120.4(4) . .
C24 C23 H20 119.8 . .
C22 C23 H20 119.8 . .
C23 C24 C19 121.0(4) . .
C23 C24 H21 119.5 . .
C19 C24 H21 119.5 . .
C20 O7 Zn2 130.3(2) . .
C20 O7 La1 126.8(2) . .
Zn2 O7 La1 101.18(10) . .
C21 O8 C25 116.0(3) . .
C21 O8 La1 116.8(2) . .
C25 O8 La1 126.2(2) . .
O8 C25 H22 109.5 . .
O8 C25 H23 109.5 . .
H22 C25 H23 109.5 . .
O8 C25 H24 109.5 . .
H22 C25 H24 109.5 . .
H23 C25 H24 109.5 . .
N3 C26 C19 126.1(4) . .
N3 C26 H25 117.0 . .
C19 C26 H25 117.0 . .
C26 N3 O9 111.4(3) . .
C26 N3 Zn2 129.4(3) . .
O9 N3 Zn2 117.6(2) . .
N3 O9 C27 111.6(3) . .
O9 C27 C28 115.8(3) . .
O9 C27 H26 108.3 . .
C28 C27 H26 108.3 . .
O9 C27 H27 108.3 . .
C28 C27 H27 108.3 . .
H26 C27 H27 107.4 . .
O10 C28 C27 113.0(4) . .
O10 C28 H28 109.0 . .
C27 C28 H28 109.0 . .
O10 C28 H29 109.0 . .
C27 C28 H29 109.0 . .
H28 C28 H29 107.8 . .
N4 O10 C28 110.8(3) . .
C29 N4 O10 109.8(3) . .
C29 N4 Zn2 127.9(3) . .
O10 N4 Zn2 122.1(2) . .
N4 C29 C30 124.8(4) . .
N4 C29 H30 117.6 . .
C30 C29 H30 117.6 . .
C31 C30 C35 119.0(3) . .
C31 C30 C29 124.5(3) . .
C35 C30 C29 116.5(3) . .
O11 C31 C30 124.0(3) . .
O11 C31 C32 117.5(3) . .
C30 C31 C32 118.5(3) . .
C33 C32 O12 125.1(3) . .
C33 C32 C31 121.8(3) . .
O12 C32 C31 113.1(3) . .
C32 C33 C34 119.5(4) . .
C32 C33 H31 120.3 . .
C34 C33 H31 120.3 . .
C35 C34 C33 119.9(3) . .
C35 C34 H32 120.1 . .
C33 C34 H32 120.1 . .
C34 C35 C30 121.4(3) . .
C34 C35 H33 119.3 . .
C30 C35 H33 119.3 . .
C31 O11 Zn2 130.9(2) . .
C31 O11 La1 124.6(2) . .
Zn2 O11 La1 102.90(10) . .
C32 O12 C36 116.8(3) . .
C32 O12 La1 117.5(2) . .
C36 O12 La1 124.9(2) . .
O12 C36 H34 109.5 . .
O12 C36 H35 109.5 . .
H34 C36 H35 109.5 . .
O12 C36 H36 109.5 . .
H34 C36 H36 109.5 . .
H35 C36 H36 109.5 . .
C37 O13 La1 144.5(2) . .
C37 O14 Zn1 120.0(2) . .
O13 C37 O14 123.8(3) . .
O13 C37 C38 119.6(4) . .
O14 C37 C38 116.6(4) . .
C37 C38 H37 109.5 . .
C37 C38 H38 109.5 . .
H37 C38 H38 109.5 . .
C37 C38 H39 109.5 . .
H37 C38 H39 109.5 . .
H38 C38 H39 109.5 . .
C39 O15 La1 148.2(2) . .
C39 O16 Zn2 118.0(2) . .
O15 C39 O16 124.0(3) . .
O15 C39 C40 118.4(3) . .
O16 C39 C40 117.6(3) . .
C39 C40 H40 109.5 . .
C39 C40 H41 109.5 . .
H40 C40 H41 109.5 . .
C39 C40 H42 109.5 . .
H40 C40 H42 109.5 . .
H41 C40 H42 109.5 . .
H43 O17 H44 100(8) . .
O19 N5 O20 120.3(6) . .
O19 N5 O18 120.5(5) . .
O20 N5 O18 119.1(5) . .
C43 C41 H45 109.5 . .
C43 C41 H46 109.5 . .
H45 C41 H46 109.5 . .
C43 C41 H47 109.5 . .
H45 C41 H47 109.5 . .
H46 C41 H47 109.5 . .
C43 C42 H48 109.5 . .
C43 C42 H49 109.5 . .
H48 C42 H49 109.5 . .
C43 C42 H50 109.5 . .
H48 C42 H50 109.5 . .
H49 C42 H50 109.5 . .
O22 C43 C41 139(2) . .
O22 C43 C42 105.5(15) . .
C41 C43 C42 110.6(19) . .
O22 C43 O21 55.5(13) . .
C41 C43 O21 96.9(11) . .
C42 C43 O21 150(2) . .
O22 C43 H51 107.0 . .
C41 C43 H51 112.4 . .
C42 C43 H51 46.2 . .
O21 C43 H51 112.4 . .
O22 C43 H52 63.2 . .
C41 C43 H52 112.4 . .
C42 C43 H52 68.9 . .
O21 C43 H52 112.4 . .
H51 C43 H52 109.9 . .
O22 C43 H53 110.6 . .
C41 C43 H53 74.8 . .
C42 C43 H53 110.6 . .
O21 C43 H53 64.1 . .
H51 C43 H53 67.3 . .
H52 C43 H53 172.7 . .
O22 C43 H54 110.6 . .
C41 C43 H54 37.1 . .
C42 C43 H54 110.6 . .
O21 C43 H54 98.6 . .
H51 C43 H54 140.6 . .
H52 C43 H54 77.8 . .
H53 C43 H54 108.8 . .
C43 O21 H55 109.5 . .
C43 O22 H56 109.5 . .
C45 C44 H57 109.5 . .
C45 C44 H58 109.5 . .
H57 C44 H58 109.5 . .
C45 C44 H59 109.5 . .
H57 C44 H59 109.5 . .
H58 C44 H59 109.5 . .
C44 C45 C46 112.7(16) . .
C44 C45 H60 109.0 . .
C46 C45 H60 109.0 . .
C44 C45 H61 109.0 . .
C46 C45 H61 109.0 . .
H60 C45 H61 107.8 . .
C45 C46 C46 106.6(17) . 2_665
C45 C46 H62 110.4 . .
C46 C46 H62 110.4 2_665 .
C45 C46 H63 110.4 . .
C46 C46 H63 110.4 2_665 .
H62 C46 H63 108.6 . .
C48 C47 H64 109.5 . .
C48 C47 H65 109.5 . .
H64 C47 H65 109.5 . .
C48 C47 H66 109.5 . .
H64 C47 H66 109.5 . .
H65 C47 H66 109.5 . .
C49 C48 C47 105.2(12) . .
C49 C48 H67 110.7 . .
C47 C48 H67 110.7 . .
C49 C48 H68 110.7 . .
C47 C48 H68 110.7 . .
H67 C48 H68 108.8 . .
C48 C49 C49 105.3(13) . 2_565
C48 C49 H69 110.7 . .
C49 C49 H69 110.7 2_565 .
C48 C49 H70 110.7 . .
C49 C49 H70 110.7 2_565 .
H69 C49 H70 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O15 2.461(3) .
La1 O5 2.506(3) .
La1 O7 2.514(3) .
La1 O11 2.520(3) .
La1 O1 2.523(3) .
La1 O13 2.525(3) .
La1 O6 2.712(3) .
La1 O12 2.724(3) .
La1 O8 2.787(3) .
La1 O2 2.815(2) .
La1 Zn1 3.5452(5) .
La1 Zn2 3.5461(5) .
Zn1 O14 1.977(3) .
Zn1 O5 1.999(3) .
Zn1 N1 2.060(3) .
Zn1 O1 2.063(3) .
Zn1 N2 2.099(3) .
Zn2 O16 1.979(3) .
Zn2 O11 1.995(2) .
Zn2 N3 2.044(3) .
Zn2 O7 2.061(3) .
Zn2 N4 2.112(3) .
C1 C6 1.413(5) .
C1 C2 1.425(5) .
C1 C8 1.442(6) .
C2 O1 1.313(4) .
C2 C3 1.420(5) .
C3 C4 1.371(5) .
C3 O2 1.383(4) .
C4 C5 1.394(6) .
C4 H1 0.9500 .
C5 C6 1.368(6) .
C5 H2 0.9500 .
C6 H3 0.9500 .
O2 C7 1.445(4) .
C7 H4 0.9800 .
C7 H5 0.9800 .
C7 H6 0.9800 .
C8 N1 1.285(5) .
C8 H7 0.9500 .
N1 O3 1.432(4) .
O3 C9 1.454(6) .
C9 C10 1.490(7) .
C9 H8 0.9900 .
C9 H9 0.9900 .
C10 O4 1.431(5) .
C10 H10 0.9900 .
C10 H11 0.9900 .
O4 N2 1.415(5) .
N2 C11 1.294(6) .
C11 C12 1.454(6) .
C11 H12 0.9500 .
C12 C13 1.405(5) .
C12 C17 1.412(6) .
C13 O5 1.333(4) .
C13 C14 1.414(5) .
C14 C15 1.379(5) .
C14 O6 1.382(5) .
C15 C16 1.386(6) .
C15 H13 0.9500 .
C16 C17 1.375(7) .
C16 H14 0.9500 .
C17 H15 0.9500 .
O6 C18 1.442(5) .
C18 H16 0.9800 .
C18 H17 0.9800 .
C18 H18 0.9800 .
C19 C20 1.411(5) .
C19 C24 1.414(6) .
C19 C26 1.445(6) .
C20 O7 1.317(4) .
C20 C21 1.410(6) .
C21 C22 1.381(5) .
C21 O8 1.385(5) .
C22 C23 1.400(7) .
C22 H19 0.9500 .
C23 C24 1.365(7) .
C23 H20 0.9500 .
C24 H21 0.9500 .
O8 C25 1.431(5) .
C25 H22 0.9800 .
C25 H23 0.9800 .
C25 H24 0.9800 .
C26 N3 1.282(5) .
C26 H25 0.9500 .
N3 O9 1.430(4) .
O9 C27 1.433(6) .
C27 C28 1.505(7) .
C27 H26 0.9900 .
C27 H27 0.9900 .
C28 O10 1.430(5) .
C28 H28 0.9900 .
C28 H29 0.9900 .
O10 N4 1.422(4) .
N4 C29 1.280(5) .
C29 C30 1.453(5) .
C29 H30 0.9500 .
C30 C31 1.402(5) .
C30 C35 1.412(5) .
C31 O11 1.329(4) .
C31 C32 1.411(5) .
C32 C33 1.376(5) .
C32 O12 1.387(4) .
C33 C34 1.398(5) .
C33 H31 0.9500 .
C34 C35 1.373(6) .
C34 H32 0.9500 .
C35 H33 0.9500 .
O12 C36 1.429(5) .
C36 H34 0.9800 .
C36 H35 0.9800 .
C36 H36 0.9800 .
O13 C37 1.258(5) .
O14 C37 1.269(5) .
C37 C38 1.510(6) .
C38 H37 0.9800 .
C38 H38 0.9800 .
C38 H39 0.9800 .
O15 C39 1.248(5) .
O16 C39 1.270(4) .
C39 C40 1.497(5) .
C40 H40 0.9800 .
C40 H41 0.9800 .
C40 H42 0.9800 .
O17 H43 1.026(18) .
O17 H44 1.034(19) .
N5 O19 1.223(6) .
N5 O20 1.268(6) .
N5 O18 1.281(6) .
C41 C43 1.519(15) .
C41 H45 0.9800 .
C41 H46 0.9800 .
C41 H47 0.9800 .
C42 C43 1.521(17) .
C42 H48 0.9800 .
C42 H49 0.9800 .
C42 H50 0.9800 .
C43 O22 1.439(17) .
C43 O21 1.569(15) .
C43 H51 0.9900 .
C43 H52 0.9900 .
C43 H53 0.9900 .
C43 H54 0.9900 .
O21 H55 0.8400 .
O22 H56 0.8400 .
C44 C45 1.488(17) .
C44 H57 0.9800 .
C44 H58 0.9800 .
C44 H59 0.9800 .
C45 C46 1.505(18) .
C45 H60 0.9900 .
C45 H61 0.9900 .
C46 C46 1.541(19) 2_665
C46 H62 0.9900 .
C46 H63 0.9900 .
C47 C48 1.590(17) .
C47 H64 0.9800 .
C47 H65 0.9800 .
C47 H66 0.9800 .
C48 C49 1.547(16) .
C48 H67 0.9900 .
C48 H68 0.9900 .
C49 C49 1.603(18) 2_565
C49 H69 0.9900 .
C49 H70 0.9900 .
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_4
O15 La1 Zn1 O14 -23.19(11) .
O5 La1 Zn1 O14 129.19(14) .
O7 La1 Zn1 O14 83.53(14) .
O11 La1 Zn1 O14 -142.43(13) .
O1 La1 Zn1 O14 -94.91(13) .
O13 La1 Zn1 O14 9.16(11) .
O6 La1 Zn1 O14 140.11(10) .
O12 La1 Zn1 O14 -152.92(10) .
O8 La1 Zn1 O14 74.38(10) .
O2 La1 Zn1 O14 -87.92(10) .
Zn2 La1 Zn1 O14 -143.5(6) .
O15 La1 Zn1 O5 -152.38(14) .
O7 La1 Zn1 O5 -45.67(16) .
O11 La1 Zn1 O5 88.38(15) .
O1 La1 Zn1 O5 135.89(16) .
O13 La1 Zn1 O5 -120.03(14) .
O6 La1 Zn1 O5 10.92(13) .
O12 La1 Zn1 O5 77.88(13) .
O8 La1 Zn1 O5 -54.82(13) .
O2 La1 Zn1 O5 142.89(13) .
Zn2 La1 Zn1 O5 87.3(7) .
O15 La1 Zn1 N1 95.75(14) .
O5 La1 Zn1 N1 -111.87(17) .
O7 La1 Zn1 N1 -157.54(16) .
O11 La1 Zn1 N1 -23.49(16) .
O1 La1 Zn1 N1 24.02(16) .
O13 La1 Zn1 N1 128.10(14) .
O6 La1 Zn1 N1 -100.95(13) .
O12 La1 Zn1 N1 -33.98(13) .
O8 La1 Zn1 N1 -166.69(13) .
O2 La1 Zn1 N1 31.02(13) .
Zn2 La1 Zn1 N1 -24.6(7) .
O15 La1 Zn1 O1 71.73(13) .
O5 La1 Zn1 O1 -135.89(16) .
O7 La1 Zn1 O1 178.44(14) .
O11 La1 Zn1 O1 -47.52(15) .
O13 La1 Zn1 O1 104.08(13) .
O6 La1 Zn1 O1 -124.97(12) .
O12 La1 Zn1 O1 -58.01(12) .
O8 La1 Zn1 O1 169.29(12) .
O2 La1 Zn1 O1 7.00(12) .
Zn2 La1 Zn1 O1 -48.6(7) .
O15 La1 Zn1 N2 -127.53(14) .
O5 La1 Zn1 N2 24.85(17) .
O7 La1 Zn1 N2 -20.82(16) .
O11 La1 Zn1 N2 113.23(16) .
O1 La1 Zn1 N2 160.74(16) .
O13 La1 Zn1 N2 -95.18(14) .
O6 La1 Zn1 N2 35.77(13) .
O12 La1 Zn1 N2 102.74(13) .
O8 La1 Zn1 N2 -29.97(13) .
O2 La1 Zn1 N2 167.74(13) .
Zn2 La1 Zn1 N2 112.1(7) .
O15 La1 Zn2 O16 8.27(11) .
O5 La1 Zn2 O16 -145.04(14) .
O7 La1 Zn2 O16 -96.83(13) .
O11 La1 Zn2 O16 128.06(13) .
O1 La1 Zn2 O16 81.61(13) .
O13 La1 Zn2 O16 -23.21(11) .
O6 La1 Zn2 O16 -154.43(10) .
O12 La1 Zn2 O16 138.57(10) .
O8 La1 Zn2 O16 -88.74(10) .
O2 La1 Zn2 O16 73.53(10) .
Zn1 La1 Zn2 O16 129.2(6) .
O15 La1 Zn2 O11 -119.79(13) .
O5 La1 Zn2 O11 86.91(16) .
O7 La1 Zn2 O11 135.12(15) .
O1 La1 Zn2 O11 -46.45(15) .
O13 La1 Zn2 O11 -151.26(13) .
O6 La1 Zn2 O11 77.52(12) .
O12 La1 Zn2 O11 10.52(12) .
O8 La1 Zn2 O11 143.20(12) .
O2 La1 Zn2 O11 -54.53(12) .
Zn1 La1 Zn2 O11 1.1(7) .
O15 La1 Zn2 N3 132.53(14) .
O5 La1 Zn2 N3 -20.78(17) .
O7 La1 Zn2 N3 27.43(16) .
O11 La1 Zn2 N3 -107.68(16) .
O1 La1 Zn2 N3 -154.13(16) .
O13 La1 Zn2 N3 101.05(14) .
O6 La1 Zn2 N3 -30.17(13) .
O12 La1 Zn2 N3 -97.17(13) .
O8 La1 Zn2 N3 35.52(13) .
O2 La1 Zn2 N3 -162.21(13) .
Zn1 La1 Zn2 N3 -106.6(7) .
O15 La1 Zn2 O7 105.10(13) .
O5 La1 Zn2 O7 -48.21(16) .
O11 La1 Zn2 O7 -135.12(15) .
O1 La1 Zn2 O7 178.44(14) .
O13 La1 Zn2 O7 73.62(13) .
O6 La1 Zn2 O7 -57.60(12) .
O12 La1 Zn2 O7 -124.60(12) .
O8 La1 Zn2 O7 8.09(12) .
O2 La1 Zn2 O7 170.36(12) .
Zn1 La1 Zn2 O7 -134.0(7) .
O15 La1 Zn2 N4 -93.22(14) .
O5 La1 Zn2 N4 113.48(16) .
O7 La1 Zn2 N4 161.69(16) .
O11 La1 Zn2 N4 26.57(15) .
O1 La1 Zn2 N4 -19.88(16) .
O13 La1 Zn2 N4 -124.69(14) .
O6 La1 Zn2 N4 104.09(13) .
O12 La1 Zn2 N4 37.09(13) .
O8 La1 Zn2 N4 169.77(13) .
O2 La1 Zn2 N4 -27.96(13) .
Zn1 La1 Zn2 N4 27.7(7) .
C6 C1 C2 O1 -177.7(3) .
C8 C1 C2 O1 -1.7(6) .
C6 C1 C2 C3 0.4(5) .
C8 C1 C2 C3 176.4(3) .
O1 C2 C3 C4 179.0(3) .
C1 C2 C3 C4 0.9(5) .
O1 C2 C3 O2 -1.1(5) .
C1 C2 C3 O2 -179.2(3) .
O2 C3 C4 C5 178.4(4) .
C2 C3 C4 C5 -1.7(6) .
C3 C4 C5 C6 1.2(7) .
C4 C5 C6 C1 0.1(7) .
C2 C1 C6 C5 -0.9(6) .
C8 C1 C6 C5 -177.2(4) .
C3 C2 O1 Zn1 175.1(2) .
C1 C2 O1 Zn1 -6.8(5) .
C3 C2 O1 La1 -19.2(4) .
C1 C2 O1 La1 158.8(3) .
O14 Zn1 O1 C2 -104.4(3) .
O5 Zn1 O1 C2 139.4(3) .
N1 Zn1 O1 C2 7.2(3) .
N2 Zn1 O1 C2 98.9(5) .
La1 Zn1 O1 C2 168.5(3) .
O14 Zn1 O1 La1 87.08(11) .
O5 Zn1 O1 La1 -29.10(10) .
N1 Zn1 O1 La1 -161.33(12) .
N2 Zn1 O1 La1 -69.6(5) .
O15 La1 O1 C2 66.8(3) .
O5 La1 O1 C2 -143.4(3) .
O7 La1 O1 C2 58(4) .
O11 La1 O1 C2 -16.8(3) .
O13 La1 O1 C2 131.5(3) .
O6 La1 O1 C2 -107.8(3) .
O12 La1 O1 C2 -52.9(3) .
O8 La1 O1 C2 178.4(3) .
O2 La1 O1 C2 19.3(3) .
Zn1 La1 O1 C2 -168.9(3) .
Zn2 La1 O1 C2 9.8(3) .
O15 La1 O1 Zn1 -124.33(10) .
O5 La1 O1 Zn1 25.49(9) .
O7 La1 O1 Zn1 -133(4) .
O11 La1 O1 Zn1 152.13(9) .
O13 La1 O1 Zn1 -59.55(10) .
O6 La1 O1 Zn1 61.09(12) .
O12 La1 O1 Zn1 115.97(11) .
O8 La1 O1 Zn1 -12.74(14) .
O2 La1 O1 Zn1 -171.75(14) .
Zn2 La1 O1 Zn1 178.73(2) .
C4 C3 O2 C7 7.9(5) .
C2 C3 O2 C7 -171.9(3) .
C4 C3 O2 La1 -163.4(3) .
C2 C3 O2 La1 16.7(4) .
O15 La1 O2 C3 -148.7(2) .
O5 La1 O2 C3 -0.3(3) .
O7 La1 O2 C3 163.2(2) .
O11 La1 O2 C3 128.1(2) .
O1 La1 O2 C3 -17.7(2) .
O13 La1 O2 C3 -79.5(2) .
O6 La1 O2 C3 72.3(2) .
O12 La1 O2 C3 64.0(2) .
O8 La1 O2 C3 -115.3(3) .
Zn1 La1 O2 C3 -22.4(2) .
Zn2 La1 O2 C3 156.8(2) .
O15 La1 O2 C7 41.0(3) .
O5 La1 O2 C7 -170.6(3) .
O7 La1 O2 C7 -7.1(3) .
O11 La1 O2 C7 -42.2(3) .
O1 La1 O2 C7 172.0(3) .
O13 La1 O2 C7 110.2(3) .
O6 La1 O2 C7 -98.0(3) .
O12 La1 O2 C7 -106.3(3) .
O8 La1 O2 C7 74.3(4) .
Zn1 La1 O2 C7 167.3(3) .
Zn2 La1 O2 C7 -13.5(3) .
C6 C1 C8 N1 -175.8(4) .
C2 C1 C8 N1 8.2(6) .
C1 C8 N1 O3 -172.4(4) .
C1 C8 N1 Zn1 -5.5(6) .
O14 Zn1 N1 C8 92.0(4) .
O5 Zn1 N1 C8 -74.9(4) .
O1 Zn1 N1 C8 -1.0(4) .
N2 Zn1 N1 C8 -165.0(4) .
La1 Zn1 N1 C8 -17.6(4) .
O14 Zn1 N1 O3 -102.0(3) .
O5 Zn1 N1 O3 91.1(3) .
O1 Zn1 N1 O3 164.9(3) .
N2 Zn1 N1 O3 1.0(3) .
La1 Zn1 N1 O3 148.4(2) .
C8 N1 O3 C9 -117.8(4) .
Zn1 N1 O3 C9 73.7(4) .
N1 O3 C9 C10 -57.4(5) .
O3 C9 C10 O4 -55.9(5) .
C9 C10 O4 N2 84.5(4) .
C10 O4 N2 C11 -174.8(4) .
C10 O4 N2 Zn1 6.0(5) .
O14 Zn1 N2 C11 -121.9(4) .
O5 Zn1 N2 C11 -5.4(4) .
N1 Zn1 N2 C11 125.2(4) .
O1 Zn1 N2 C11 34.5(7) .
La1 Zn1 N2 C11 -22.2(4) .
O14 Zn1 N2 O4 57.3(3) .
O5 Zn1 N2 O4 173.8(3) .
N1 Zn1 N2 O4 -55.7(3) .
O1 Zn1 N2 O4 -146.4(4) .
La1 Zn1 N2 O4 157.0(3) .
O4 N2 C11 C12 -178.6(4) .
Zn1 N2 C11 C12 0.7(6) .
N2 C11 C12 C13 2.1(7) .
N2 C11 C12 C17 -176.4(4) .
C17 C12 C13 O5 -178.2(4) .
C11 C12 C13 O5 3.4(6) .
C17 C12 C13 C14 0.6(6) .
C11 C12 C13 C14 -177.9(4) .
O5 C13 C14 C15 179.9(4) .
C12 C13 C14 C15 1.1(6) .
O5 C13 C14 O6 0.0(5) .
C12 C13 C14 O6 -178.8(3) .
O6 C14 C15 C16 177.8(4) .
C13 C14 C15 C16 -2.1(6) .
C14 C15 C16 C17 1.5(7) .
C15 C16 C17 C12 0.2(7) .
C13 C12 C17 C16 -1.2(7) .
C11 C12 C17 C16 177.4(4) .
C12 C13 O5 Zn1 -11.8(5) .
C14 C13 O5 Zn1 169.5(3) .
C12 C13 O5 La1 158.2(3) .
C14 C13 O5 La1 -20.5(5) .
O14 Zn1 O5 C13 111.7(3) .
N1 Zn1 O5 C13 -81.9(3) .
O1 Zn1 O5 C13 -158.7(3) .
N2 Zn1 O5 C13 10.9(3) .
La1 Zn1 O5 C13 171.7(4) .
O14 Zn1 O5 La1 -59.96(14) .
N1 Zn1 O5 La1 106.39(15) .
O1 Zn1 O5 La1 29.60(10) .
N2 Zn1 O5 La1 -160.74(13) .
O15 La1 O5 C13 -120.4(3) .
O7 La1 O5 C13 -19.4(3) .
O11 La1 O5 C13 58.1(3) .
O1 La1 O5 C13 161.2(3) .
O13 La1 O5 C13 -124.0(3) .
O6 La1 O5 C13 20.5(3) .
O12 La1 O5 C13 88.8(3) .
O8 La1 O5 C13 -52.5(3) .
O2 La1 O5 C13 144.6(3) .
Zn1 La1 O5 C13 -172.2(3) .
Zn2 La1 O5 C13 9.6(3) .
O15 La1 O5 Zn1 51.8(2) .
O7 La1 O5 Zn1 152.86(10) .
O11 La1 O5 Zn1 -129.71(11) .
O1 La1 O5 Zn1 -26.64(10) .
O13 La1 O5 Zn1 48.19(11) .
O6 La1 O5 Zn1 -167.26(15) .
O12 La1 O5 Zn1 -99.00(11) .
O8 La1 O5 Zn1 119.71(13) .
O2 La1 O5 Zn1 -43.24(14) .
Zn2 La1 O5 Zn1 -178.21(2) .
C15 C14 O6 C18 9.7(5) .
C13 C14 O6 C18 -170.4(3) .
C15 C14 O6 La1 -162.4(3) .
C13 C14 O6 La1 17.5(4) .
O15 La1 O6 C14 132.1(2) .
O5 La1 O6 C14 -19.0(2) .
O7 La1 O6 C14 124.3(3) .
O11 La1 O6 C14 -172.2(3) .
O1 La1 O6 C14 -56.0(3) .
O13 La1 O6 C14 24.3(3) .
O12 La1 O6 C14 -112.9(3) .
O8 La1 O6 C14 61.5(2) .
O2 La1 O6 C14 -121.0(2) .
Zn1 La1 O6 C14 -25.9(2) .
Zn2 La1 O6 C14 155.0(2) .
O15 La1 O6 C18 -39.3(3) .
O5 La1 O6 C18 169.6(3) .
O7 La1 O6 C18 -47.1(3) .
O11 La1 O6 C18 16.4(3) .
O1 La1 O6 C18 132.6(3) .
O13 La1 O6 C18 -147.1(3) .
O12 La1 O6 C18 75.7(3) .
O8 La1 O6 C18 -109.9(3) .
O2 La1 O6 C18 67.5(3) .
Zn1 La1 O6 C18 162.6(3) .
Zn2 La1 O6 C18 -16.4(3) .
C24 C19 C20 O7 -178.3(4) .
C26 C19 C20 O7 -0.5(6) .
C24 C19 C20 C21 -1.0(5) .
C26 C19 C20 C21 176.8(4) .
O7 C20 C21 C22 179.6(4) .
C19 C20 C21 C22 2.2(6) .
O7 C20 C21 O8 0.1(5) .
C19 C20 C21 O8 -177.3(3) .
O8 C21 C22 C23 178.1(4) .
C20 C21 C22 C23 -1.3(6) .
C21 C22 C23 C24 -0.8(7) .
C22 C23 C24 C19 2.0(7) .
C20 C19 C24 C23 -1.0(6) .
C26 C19 C24 C23 -178.9(4) .
C21 C20 O7 Zn2 174.1(2) .
C19 C20 O7 Zn2 -8.7(5) .
C21 C20 O7 La1 -23.7(5) .
C19 C20 O7 La1 153.6(3) .
O16 Zn2 O7 C20 -108.7(3) .
O11 Zn2 O7 C20 135.8(3) .
N3 Zn2 O7 C20 7.3(3) .
N4 Zn2 O7 C20 100.0(5) .
La1 Zn2 O7 C20 165.6(4) .
O16 Zn2 O7 La1 85.67(11) .
O11 Zn2 O7 La1 -29.78(10) .
N3 Zn2 O7 La1 -158.34(12) .
N4 Zn2 O7 La1 -65.6(4) .
O15 La1 O7 C20 135.4(3) .
O5 La1 O7 C20 -14.1(3) .
O11 La1 O7 C20 -140.4(3) .
O1 La1 O7 C20 144(4) .
O13 La1 O7 C20 71.1(3) .
O6 La1 O7 C20 -49.8(3) .
O12 La1 O7 C20 -105.2(3) .
O8 La1 O7 C20 23.2(3) .
O2 La1 O7 C20 -177.6(3) .
Zn1 La1 O7 C20 12.4(3) .
Zn2 La1 O7 C20 -166.3(3) .
O15 La1 O7 Zn2 -58.28(10) .
O5 La1 O7 Zn2 152.20(9) .
O11 La1 O7 Zn2 25.93(9) .
O1 La1 O7 Zn2 -50(4) .
O13 La1 O7 Zn2 -122.61(10) .
O6 La1 O7 Zn2 116.46(12) .
O12 La1 O7 Zn2 61.08(11) .
O8 La1 O7 Zn2 -170.46(14) .
O2 La1 O7 Zn2 -11.26(14) .
Zn1 La1 O7 Zn2 178.74(2) .
C22 C21 O8 C25 8.9(6) .
C20 C21 O8 C25 -171.6(3) .
C22 C21 O8 La1 -160.6(3) .
C20 C21 O8 La1 18.8(4) .
O15 La1 O8 C21 -82.2(2) .
O5 La1 O8 C21 124.8(3) .
O7 La1 O8 C21 -20.7(2) .
O11 La1 O8 C21 -4.2(3) .
O1 La1 O8 C21 160.6(2) .
O13 La1 O8 C21 -151.7(3) .
O6 La1 O8 C21 60.7(2) .
O12 La1 O8 C21 67.7(3) .
O2 La1 O8 C21 -113.1(3) .
Zn1 La1 O8 C21 153.3(2) .
Zn2 La1 O8 C21 -26.1(2) .
O15 La1 O8 C25 109.4(3) .
O5 La1 O8 C25 -43.5(3) .
O7 La1 O8 C25 171.0(3) .
O11 La1 O8 C25 -172.5(3) .
O1 La1 O8 C25 -7.8(3) .
O13 La1 O8 C25 39.9(3) .
O6 La1 O8 C25 -107.7(3) .
O12 La1 O8 C25 -100.6(3) .
O2 La1 O8 C25 78.6(4) .
Zn1 La1 O8 C25 -15.0(3) .
Zn2 La1 O8 C25 165.6(3) .
C20 C19 C26 N3 10.4(6) .
C24 C19 C26 N3 -171.8(4) .
C19 C26 N3 O9 -175.0(4) .
C19 C26 N3 Zn2 -10.2(6) .
O16 Zn2 N3 C26 96.3(4) .
O11 Zn2 N3 C26 -72.3(4) .
O7 Zn2 N3 C26 2.1(4) .
N4 Zn2 N3 C26 -162.1(4) .
La1 Zn2 N3 C26 -16.6(4) .
O16 Zn2 N3 O9 -99.8(3) .
O11 Zn2 N3 O9 91.6(3) .
O7 Zn2 N3 O9 166.0(3) .
N4 Zn2 N3 O9 1.8(3) .
La1 Zn2 N3 O9 147.3(2) .
C26 N3 O9 C27 -118.6(4) .
Zn2 N3 O9 C27 74.7(4) .
N3 O9 C27 C28 -59.4(5) .
O9 C27 C28 O10 -55.3(5) .
C27 C28 O10 N4 84.0(4) .
C28 O10 N4 C29 -178.4(3) .
C28 O10 N4 Zn2 5.5(4) .
O16 Zn2 N4 C29 -114.3(3) .
O11 Zn2 N4 C29 1.5(3) .
N3 Zn2 N4 C29 128.4(3) .
O7 Zn2 N4 C29 36.7(6) .
La1 Zn2 N4 C29 -16.6(4) .
O16 Zn2 N4 O10 60.9(3) .
O11 Zn2 N4 O10 176.8(3) .
N3 Zn2 N4 O10 -56.4(3) .
O7 Zn2 N4 O10 -148.0(4) .
La1 Zn2 N4 O10 158.7(2) .
O10 N4 C29 C30 178.0(3) .
Zn2 N4 C29 C30 -6.3(6) .
N4 C29 C30 C31 4.5(6) .
N4 C29 C30 C35 -173.6(4) .
C35 C30 C31 O11 -178.5(3) .
C29 C30 C31 O11 3.5(6) .
C35 C30 C31 C32 0.8(5) .
C29 C30 C31 C32 -177.2(3) .
O11 C31 C32 C33 179.9(3) .
C30 C31 C32 C33 0.6(5) .
O11 C31 C32 O12 0.3(4) .
C30 C31 C32 O12 -179.0(3) .
O12 C32 C33 C34 178.2(3) .
C31 C32 C33 C34 -1.3(5) .
C32 C33 C34 C35 0.6(5) .
C33 C34 C35 C30 0.8(6) .
C31 C30 C35 C34 -1.4(5) .
C29 C30 C35 C34 176.7(3) .
C30 C31 O11 Zn2 -9.3(5) .
C32 C31 O11 Zn2 171.4(2) .
C30 C31 O11 La1 153.4(3) .
C32 C31 O11 La1 -25.8(4) .
O16 Zn2 O11 C31 104.4(3) .
N3 Zn2 O11 C31 -87.0(3) .
O7 Zn2 O11 C31 -164.6(3) .
N4 Zn2 O11 C31 6.2(3) .
La1 Zn2 O11 C31 165.5(3) .
O16 Zn2 O11 La1 -61.12(13) .
N3 Zn2 O11 La1 107.54(15) .
O7 Zn2 O11 La1 29.91(10) .
N4 Zn2 O11 La1 -159.28(12) .
O15 La1 O11 C31 -118.8(3) .
O5 La1 O11 C31 62.0(3) .
O7 La1 O11 C31 166.3(3) .
O1 La1 O11 C31 -15.0(3) .
O13 La1 O11 C31 -114.0(3) .
O6 La1 O11 C31 93.9(3) .
O12 La1 O11 C31 25.6(2) .
O8 La1 O11 C31 150.5(2) .
O2 La1 O11 C31 -47.5(2) .
Zn1 La1 O11 C31 13.3(3) .
Zn2 La1 O11 C31 -166.7(3) .
O15 La1 O11 Zn2 47.92(10) .
O5 La1 O11 Zn2 -131.34(11) .
O7 La1 O11 Zn2 -27.04(9) .
O1 La1 O11 Zn2 151.66(9) .
O13 La1 O11 Zn2 52.7(2) .
O6 La1 O11 Zn2 -99.39(11) .
O12 La1 O11 Zn2 -167.65(14) .
O8 La1 O11 Zn2 -42.80(13) .
O2 La1 O11 Zn2 119.19(11) .
Zn1 La1 O11 Zn2 -179.97(2) .
C33 C32 O12 C36 12.8(5) .
C31 C32 O12 C36 -167.6(3) .
C33 C32 O12 La1 -158.0(3) .
C31 C32 O12 La1 21.5(4) .
O15 La1 O12 C32 18.9(3) .
O5 La1 O12 C32 -177.6(2) .
O7 La1 O12 C32 -60.2(2) .
O11 La1 O12 C32 -23.6(2) .
O1 La1 O12 C32 118.6(2) .
O13 La1 O12 C32 125.3(2) .
O6 La1 O12 C32 -117.6(2) .
O8 La1 O12 C32 -124.6(2) .
O2 La1 O12 C32 55.7(2) .
Zn1 La1 O12 C32 149.5(2) .
Zn2 La1 O12 C32 -30.3(2) .
O15 La1 O12 C36 -151.1(3) .
O5 La1 O12 C36 12.3(3) .
O7 La1 O12 C36 129.7(3) .
O11 La1 O12 C36 166.4(3) .
O1 La1 O12 C36 -51.5(3) .
O13 La1 O12 C36 -44.7(3) .
O6 La1 O12 C36 72.3(3) .
O8 La1 O12 C36 65.3(3) .
O2 La1 O12 C36 -114.4(3) .
Zn1 La1 O12 C36 -20.5(3) .
Zn2 La1 O12 C36 159.6(3) .
O15 La1 O13 C37 128.8(4) .
O5 La1 O13 C37 -53.0(4) .
O7 La1 O13 C37 -169.0(4) .
O11 La1 O13 C37 124.0(4) .
O1 La1 O13 C37 12.2(4) .
O6 La1 O13 C37 -90.1(4) .
O12 La1 O13 C37 5.5(5) .
O8 La1 O13 C37 -126.5(4) .
O2 La1 O13 C37 64.6(4) .
Zn1 La1 O13 C37 -23.8(4) .
Zn2 La1 O13 C37 155.7(4) .
O5 Zn1 O14 C37 30.0(3) .
N1 Zn1 O14 C37 -138.8(3) .
O1 Zn1 O14 C37 -50.8(3) .
N2 Zn1 O14 C37 122.8(3) .
La1 Zn1 O14 C37 -6.5(3) .
La1 O13 C37 O14 27.9(7) .
La1 O13 C37 C38 -152.8(4) .
Zn1 O14 C37 O13 -4.7(5) .
Zn1 O14 C37 C38 176.1(3) .
O5 La1 O15 C39 128.1(5) .
O7 La1 O15 C39 14.3(5) .
O11 La1 O15 C39 -50.8(5) .
O1 La1 O15 C39 -165.5(5) .
O13 La1 O15 C39 131.7(5) .
O6 La1 O15 C39 6.5(5) .
O12 La1 O15 C39 -87.2(5) .
O8 La1 O15 C39 66.6(5) .
O2 La1 O15 C39 -123.1(5) .
Zn1 La1 O15 C39 159.6(4) .
Zn2 La1 O15 C39 -21.4(5) .
O11 Zn2 O16 C39 30.5(3) .
N3 Zn2 O16 C39 -139.4(3) .
O7 Zn2 O16 C39 -50.8(3) .
N4 Zn2 O16 C39 121.6(3) .
La1 Zn2 O16 C39 -6.9(3) .
La1 O15 C39 O16 23.6(7) .
La1 O15 C39 C40 -156.3(4) .
Zn2 O16 C39 O15 -1.6(5) .
Zn2 O16 C39 C40 178.3(3) .
C44 C45 C46 C46 171(3) 2_665
C47 C48 C49 C49 -4(3) 2_565
