# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex-1
_database_code_depnum_ccdc_archive 'CCDC 1952292'
loop_
_audit_author_name
_audit_author_address
'Xiaoping Yang'
;Wenzhou University
China
;
_audit_update_record             
;
2019-09-07 deposited with the CCDC.	2019-11-21 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        Compex-1
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C100 H152 N8 Nd8 O72 Zn6'
_chemical_formula_weight         4164.44

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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1791(12)
_cell_length_b                   15.7934(13)
_cell_length_c                   18.0220(15)
_cell_angle_alpha                108.2630(10)
_cell_angle_beta                 96.2280(10)
_cell_angle_gamma                108.4170(10)
_cell_volume                     3538.5(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    190(1)
_cell_measurement_reflns_used    5617
_cell_measurement_theta_min      1.2209
_cell_measurement_theta_max      27.5901

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2044
_exptl_absorpt_coefficient_mu    3.971
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7321
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   
'DENZO and Scalepack (Otwinoski and Minor, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Mercury2 (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 13.6612
_diffrn_reflns_number            31154
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.46
_diffrn_reflns_theta_max         25.00
_reflns_number_total             12244
_reflns_number_gt                10927
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Collect software, Nonius B.V. 1998'
_computing_cell_refinement       'Collect software, Nonius B.V. 1998'
_computing_data_reduction        
;
DENZO and Scalepack (Otwinoski and Minor, 1997)
;
_computing_structure_solution    
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  ?



_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Restraints: ISOR was applied to all non-hydrogen atoms to allow their Uij 
 components approximate to isotropic behavior.

 Hydrogen atoms of water molecules were not added.

;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0855P)²+10.0447P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12244
_refine_ls_number_parameters     874
_refine_ls_number_restraints     586
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0314
_refine_ls_wR_factor_ref         0.1320
_refine_ls_wR_factor_gt          0.1021
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_restrained_S_all      1.129
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Nd1 Nd 0.37773(2) 0.20975(2) 0.482408(19) 0.02122(10) Uani 1 1 d U . .
Nd2 Nd 0.67741(2) 0.40887(2) 0.545970(18) 0.01919(10) Uani 1 1 d U . .
Nd3 Nd 0.46443(2) 0.520746(19) 0.606930(17) 0.01713(10) Uani 1 1 d U . .
Nd4 Nd 0.63671(2) 0.74976(2) 0.822707(18) 0.02298(10) Uani 1 1 d U . .
Zn1 Zn 0.66558(5) 0.93738(5) 0.73526(4) 0.02488(16) Uani 1 1 d U . .
Zn2 Zn 0.86610(6) 0.68979(6) 0.89966(5) 0.0428(2) Uani 1 1 d U . .
Zn3 Zn 0.89825(5) 0.56788(5) 0.72821(5) 0.03086(18) Uani 1 1 d U . .
N1 N 0.1924(4) -0.0400(4) 0.1935(3) 0.0299(12) Uani 1 1 d U . .
N2 N 0.5718(4) 1.0153(4) 0.7335(3) 0.0290(11) Uani 1 1 d U . .
N3 N 0.4799(4) 0.2725(4) 0.3664(3) 0.0318(12) Uani 1 1 d U . .
N4 N 0.7152(4) 0.6050(4) 0.7330(3) 0.0340(12) Uani 1 1 d U . .
O1 O 0.2605(4) 0.0562(3) 0.5053(3) 0.0319(10) Uani 1 1 d U . .
O2 O 0.2770(3) 0.0597(3) 0.3654(3) 0.0257(9) Uani 1 1 d U . .
O3 O 0.1766(4) -0.2282(4) 0.0871(3) 0.0477(13) Uani 1 1 d U . .
O4 O 0.6534(4) 1.2203(3) 0.7996(3) 0.0480(13) Uani 1 1 d U . .
O5 O 0.6078(3) 0.8967(3) 0.8243(3) 0.0257(9) Uani 1 1 d U . .
O6 O 0.5608(4) 0.8333(4) 0.9374(3) 0.0370(11) Uani 1 1 d U . .
O7 O 0.3328(3) 0.3597(3) 0.5541(2) 0.0234(8) Uani 1 1 d U . .
O8 O 0.2187(3) 0.2178(3) 0.5322(3) 0.0331(10) Uani 1 1 d U . .
O9 O 0.5736(3) 0.2446(3) 0.5218(3) 0.0258(9) Uani 1 1 d U . .
O10 O 0.4673(4) 0.0989(3) 0.4916(3) 0.0324(10) Uani 1 1 d U . .
O11 O 0.5322(3) 0.3921(3) 0.6152(2) 0.0235(9) Uani 1 1 d U . .
O12 O 0.4349(3) 0.2607(3) 0.6310(3) 0.0315(10) Uani 1 1 d U . .
O13 O 0.9254(4) 0.4512(4) 0.7159(4) 0.0514(14) Uani 1 1 d U . .
O14 O 0.7817(4) 0.3579(4) 0.6236(3) 0.0402(11) Uani 1 1 d U . .
O15 O 0.9743(4) 0.6243(4) 0.6596(3) 0.0425(12) Uani 1 1 d U . .
O16 O 0.8509(4) 0.5169(4) 0.5604(3) 0.0427(12) Uani 1 1 d U . .
O17 O 0.4725(4) 0.6448(4) 0.8258(3) 0.0415(12) Uani 1 1 d U . .
O18 O 0.4084(4) 0.5031(3) 0.7246(3) 0.0331(10) Uani 1 1 d U . .
O19 O 0.3110(3) 0.5628(3) 0.5883(3) 0.0270(9) Uani 1 1 d U . .
O20 O 0.7256(4) 0.3176(3) 0.4259(3) 0.0311(10) Uani 1 1 d U . .
O21 O 0.3941(3) 0.4744(3) 0.4607(2) 0.0171(7) Uani 1 1 d U . .
O22 O 0.7596(4) 0.5883(4) 0.9197(4) 0.0523(14) Uani 1 1 d U . .
O23 O 0.5094(3) 0.6995(3) 0.6926(2) 0.0224(8) Uani 1 1 d U . .
O24 O 0.9099(4) 0.8209(4) 0.9747(3) 0.0456(13) Uani 1 1 d U . .
O25 O 0.7867(4) 0.8627(3) 0.9281(3) 0.0398(11) Uani 1 1 d U . .
O26 O 0.5005(3) 0.3372(3) 0.4383(2) 0.0210(8) Uani 1 1 d U . .
O27 O 0.4462(3) 0.1843(3) 0.3589(2) 0.0201(8) Uani 1 1 d U . .
O28 O 0.6245(3) 0.5981(3) 0.7155(3) 0.0258(9) Uani 1 1 d U . .
O29 O 0.7752(3) 0.6799(3) 0.7950(3) 0.0275(9) Uani 1 1 d U . .
O30 O 0.7499(3) 0.5433(3) 0.6931(2) 0.0251(9) Uani 1 1 d U . .
O31 O 0.2747(4) 0.2522(3) 0.3847(3) 0.0332(10) Uani 1 1 d U . .
O32 O 0.7340(3) 0.8265(3) 0.7430(3) 0.0265(9) Uani 1 1 d U . .
O33 O 0.9611(8) 0.6744(7) 1.0131(6) 0.104(3) Uani 1 1 d DU . .
O34 O 0.9570(4) 0.6484(4) 0.8401(3) 0.0479(13) Uani 1 1 d DU . .
O35 O 0.6637(4) 0.6739(4) 0.9210(3) 0.0469(13) Uani 1 1 d U . .
C1 C 0.2568(6) 0.0576(5) 0.5859(5) 0.0407(17) Uani 1 1 d U . .
H1B H 0.2110 -0.0036 0.5829 0.061 Uiso 1 1 calc R . .
H1C H 0.2332 0.1068 0.6133 0.061 Uiso 1 1 calc R . .
H1D H 0.3239 0.0704 0.6148 0.061 Uiso 1 1 calc R . .
C2 C 0.1757(5) -0.0003(4) 0.4461(4) 0.0273(13) Uani 1 1 d U . .
C3 C 0.0819(6) -0.0535(5) 0.4551(5) 0.0393(17) Uani 1 1 d U . .
H3A H 0.0733 -0.0508 0.5061 0.047 Uiso 1 1 calc R . .
C4 C 0.0010(5) -0.1102(5) 0.3894(5) 0.0410(17) Uani 1 1 d U . .
H4A H -0.0616 -0.1453 0.3961 0.049 Uiso 1 1 calc R . .
C5 C 0.0140(5) -0.1142(5) 0.3152(5) 0.0399(17) Uani 1 1 d U . .
H5A H -0.0406 -0.1534 0.2713 0.048 Uiso 1 1 calc R . .
C6 C 0.1078(5) -0.0609(4) 0.3016(4) 0.0299(13) Uani 1 1 d U . .
C7 C 0.1886(5) 0.0004(4) 0.3690(4) 0.0275(13) Uani 1 1 d U . .
C8 C 0.1132(5) -0.0752(4) 0.2190(4) 0.0335(14) Uani 1 1 d U . .
H8A H 0.0529 -0.1139 0.1802 0.040 Uiso 1 1 calc R . .
C9 C 0.1791(5) -0.0724(5) 0.1047(4) 0.0363(15) Uani 1 1 d U . .
H9A H 0.2078 -0.0173 0.0897 0.044 Uiso 1 1 calc R . .
H9B H 0.1069 -0.1032 0.0789 0.044 Uiso 1 1 calc R . .
C10 C 0.2317(5) -0.1418(5) 0.0768(4) 0.0389(16) Uani 1 1 d U . .
H10A H 0.2330 -0.1546 0.0207 0.047 Uiso 1 1 calc R . .
H10B H 0.3016 -0.1149 0.1080 0.047 Uiso 1 1 calc R . .
C11 C 0.2239(8) -0.2959(6) 0.0746(5) 0.060(2) Uani 1 1 d U . .
H11B H 0.2802 -0.2771 0.0496 0.090 Uiso 1 1 calc R . .
H11C H 0.1752 -0.3580 0.0381 0.090 Uiso 1 1 calc R . .
C12 C 0.7359(8) 1.3051(6) 0.8475(6) 0.065(3) Uani 1 1 d U . .
H12B H 0.7139 1.3592 0.8594 0.098 Uiso 1 1 calc R . .
H12C H 0.7898 1.3164 0.8188 0.098 Uiso 1 1 calc R . .
C13 C 0.6722(6) 1.1692(5) 0.7264(5) 0.0429(17) Uani 1 1 d U . .
H13A H 0.7345 1.1574 0.7370 0.052 Uiso 1 1 calc R . .
H13B H 0.6805 1.2067 0.6924 0.052 Uiso 1 1 calc R . .
C14 C 0.5836(6) 1.0754(5) 0.6849(4) 0.0357(15) Uani 1 1 d U . .
H14A H 0.5215 1.0877 0.6750 0.043 Uiso 1 1 calc R . .
H14B H 0.5943 1.0415 0.6334 0.043 Uiso 1 1 calc R . .
C15 C 0.4971(5) 1.0074(5) 0.7684(4) 0.0329(14) Uani 1 1 d U . .
H15A H 0.4534 1.0372 0.7569 0.040 Uiso 1 1 calc R . .
C16 C 0.4722(5) 0.9587(5) 0.8225(4) 0.0365(15) Uani 1 1 d U . .
C17 C 0.3881(7) 0.9683(7) 0.8568(6) 0.056(2) Uani 1 1 d U . .
H17A H 0.3504 0.9996 0.8390 0.067 Uiso 1 1 calc R . .
C18 C 0.3611(7) 0.9329(8) 0.9149(6) 0.063(2) Uani 1 1 d U . .
H18A H 0.3066 0.9411 0.9365 0.076 Uiso 1 1 calc R . .
C19 C 0.4154(7) 0.8848(7) 0.9412(6) 0.058(2) Uani 1 1 d U . .
H19A H 0.3964 0.8591 0.9796 0.069 Uiso 1 1 calc R . .
C20 C 0.4970(6) 0.8750(5) 0.9107(5) 0.0397(16) Uani 1 1 d U . .
C21 C 0.5281(5) 0.9111(4) 0.8503(4) 0.0287(13) Uani 1 1 d U . .
C22 C 0.5314(8) 0.7933(7) 0.9970(5) 0.055(2) Uani 1 1 d U . .
H22A H 0.5053 0.8338 1.0337 0.083 Uiso 1 1 calc R . .
H22B H 0.5899 0.7893 1.0258 0.083 Uiso 1 1 calc R . .
H22C H 0.4796 0.7303 0.9710 0.083 Uiso 1 1 calc R . .
C23 C 0.1893(6) 0.3549(5) 0.6132(5) 0.0441(18) Uani 1 1 d U . .
H23A H 0.1498 0.3769 0.5823 0.066 Uiso 1 1 calc R . .
H23B H 0.2357 0.4085 0.6589 0.066 Uiso 1 1 calc R . .
H23C H 0.1445 0.3097 0.6312 0.066 Uiso 1 1 calc R . .
C24 C 0.2485(5) 0.3075(4) 0.5623(4) 0.0267(13) Uani 1 1 d U . .
C25 C 0.5667(6) 0.3796(5) 0.7434(4) 0.0425(17) Uani 1 1 d U . .
H25A H 0.5401 0.3346 0.7685 0.064 Uiso 1 1 calc R . .
H25B H 0.5614 0.4397 0.7722 0.064 Uiso 1 1 calc R . .
H25C H 0.6371 0.3891 0.7438 0.064 Uiso 1 1 calc R . .
C26 C 0.5072(4) 0.3413(4) 0.6590(3) 0.0222(12) Uani 1 1 d U . .
C27 C 0.6395(6) 0.1191(5) 0.4869(5) 0.0423(17) Uani 1 1 d U . .
H27A H 0.6781 0.1252 0.5367 0.063 Uiso 1 1 calc R . .
H27B H 0.6834 0.1562 0.4622 0.063 Uiso 1 1 calc R . .
H27C H 0.6110 0.0529 0.4517 0.063 Uiso 1 1 calc R . .
C28 C 0.5559(5) 0.1548(4) 0.5025(4) 0.0258(13) Uani 1 1 d U . .
C29 C 0.9035(6) 0.2905(6) 0.6434(6) 0.053(2) Uani 1 1 d U . .
H29A H 0.8530 0.2347 0.6019 0.079 Uiso 1 1 calc R . .
H29B H 0.9159 0.2766 0.6909 0.079 Uiso 1 1 calc R . .
H29C H 0.9658 0.3082 0.6256 0.079 Uiso 1 1 calc R . .
C30 C 0.8663(5) 0.3711(5) 0.6615(4) 0.0339(15) Uani 1 1 d U . .
C31 C 0.3311(7) 0.5218(7) 0.8355(5) 0.058(2) Uani 1 1 d U . .
H31B H 0.2889 0.4563 0.8035 0.087 Uiso 1 1 calc R . .
H31C H 0.2895 0.5599 0.8443 0.087 Uiso 1 1 calc R . .
H31D H 0.3646 0.5253 0.8863 0.087 Uiso 1 1 calc R . .
C32 C 0.4101(5) 0.5592(5) 0.7924(4) 0.0317(14) Uani 1 1 d U . .
C33 C 0.2537(6) 0.6532(6) 0.6944(4) 0.0437(17) Uani 1 1 d U . .
H33A H 0.2334 0.7076 0.7062 0.066 Uiso 1 1 calc R . .
H33B H 0.3114 0.6667 0.7353 0.066 Uiso 1 1 calc R . .
H33C H 0.1981 0.5982 0.6926 0.066 Uiso 1 1 calc R . .
C34 C 0.2818(5) 0.6333(4) 0.6153(4) 0.0291(13) Uani 1 1 d U . .
C35 C 0.9910(7) 0.6168(7) 0.5276(5) 0.055(2) Uani 1 1 d U . .
H35A H 0.9523 0.5802 0.4733 0.082 Uiso 1 1 calc R . .
H35B H 1.0554 0.6087 0.5338 0.082 Uiso 1 1 calc R . .
H35C H 1.0028 0.6835 0.5397 0.082 Uiso 1 1 calc R . .
C36 C 0.9316(5) 0.5817(5) 0.5849(4) 0.0337(15) Uani 1 1 d U . .
C37 C 0.6069(8) 0.5401(7) 0.9596(6) 0.061(2) Uani 1 1 d U . .
H37A H 0.5498 0.5597 0.9664 0.091 Uiso 1 1 calc R . .
H37B H 0.6398 0.5423 1.0100 0.091 Uiso 1 1 calc R . .
H37C H 0.5835 0.4759 0.9208 0.091 Uiso 1 1 calc R . .
C38 C 0.6808(5) 0.6060(5) 0.9312(4) 0.0359(15) Uani 1 1 d U . .
C39 C 0.8984(8) 0.9683(7) 1.0518(6) 0.064(2) Uani 1 1 d U . .
H39A H 0.8553 1.0039 1.0484 0.096 Uiso 1 1 calc R . .
H39B H 0.9672 1.0061 1.0538 0.096 Uiso 1 1 calc R . .
H39C H 0.8965 0.9536 1.0996 0.096 Uiso 1 1 calc R . .
C40 C 0.8609(5) 0.8766(5) 0.9795(4) 0.0356(15) Uani 1 1 d U . .
C41 C 0.7738(5) 0.7957(4) 0.6851(4) 0.0238(12) Uani 1 1 d U . .
C42 C 0.8888(5) 0.8237(6) 0.7047(5) 0.0457(18) Uani 1 1 d U . .
H42A H 0.9101 0.7966 0.6570 0.069 Uiso 1 1 calc R . .
H42B H 0.9077 0.7998 0.7446 0.069 Uiso 1 1 calc R . .
H42C H 0.9214 0.8923 0.7249 0.069 Uiso 1 1 calc R . .
O37 O 0.2471(10) 1.0480(9) 0.7487(8) 0.130(4) Uani 1 1 d U . .
C43 C 1.1289(14) 0.6481(13) 0.8610(11) 0.134(6) Uani 1 1 d DU . .
H43A H 1.2008 0.6853 0.8790 0.201 Uiso 1 1 calc R . .
H43B H 1.1145 0.6031 0.8072 0.201 Uiso 1 1 calc R . .
H43C H 1.1079 0.6140 0.8957 0.201 Uiso 1 1 calc R . .
C44 C 1.0709(7) 0.7143(10) 0.8628(10) 0.129(5) Uani 1 1 d DU . .
H44A H 1.0863 0.7452 0.8244 0.155 Uiso 1 1 calc R . .
H44B H 1.0884 0.7635 0.9159 0.155 Uiso 1 1 calc R . .
C45 C 0.940(2) 0.6287(19) 1.1315(14) 0.192(10) Uani 1 1 d DU . .
H45A H 0.9185 0.5773 1.1511 0.288 Uiso 1 1 calc R . .
H45B H 0.9004 0.6683 1.1457 0.288 Uiso 1 1 calc R . .
H45C H 1.0109 0.6666 1.1551 0.288 Uiso 1 1 calc R . .
C46 C 0.923(2) 0.5872(14) 1.0404(14) 0.228(13) Uani 1 1 d DU . .
H46A H 0.8514 0.5496 1.0157 0.273 Uiso 1 1 calc R . .
H46B H 0.9617 0.5460 1.0251 0.273 Uiso 1 1 calc R . .
C47 C 0.3510(13) 1.2221(11) 0.8054(9) 0.114(5) Uani 1 1 d U . .
H47A H 0.3616 1.2854 0.8415 0.170 Uiso 1 1 calc R . .
H47B H 0.3454 1.2208 0.7515 0.170 Uiso 1 1 calc R . .
H47C H 0.4076 1.2051 0.8200 0.170 Uiso 1 1 calc R . .
C48 C 0.2521(18) 1.1499(17) 0.8108(15) 0.172(9) Uani 1 1 d U . .
H48A H 0.1932 1.1642 0.7946 0.207 Uiso 1 1 calc R . .
H48B H 0.2556 1.1501 0.8649 0.207 Uiso 1 1 calc R . .
C49 C 0.1581(10) 0.9604(10) 0.7295(9) 0.092(4) Uani 1 1 d U . .
H49B H 0.1017 0.9652 0.6977 0.110 Uiso 1 1 calc R . .
H49A H 0.1398 0.9585 0.7795 0.110 Uiso 1 1 calc R . .
C50 C 0.1669(11) 0.8687(10) 0.6866(8) 0.092(4) Uani 1 1 d U . .
H50A H 0.1036 0.8172 0.6780 0.138 Uiso 1 1 calc R . .
H50B H 0.2207 0.8612 0.7179 0.138 Uiso 1 1 calc R . .
H50C H 0.1821 0.8678 0.6358 0.138 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Nd1 O2 2.485(4) . ?
Nd1 O27 2.493(4) . ?
Nd1 O12 2.498(5) . ?
Nd1 O10 2.500(4) . ?
Nd1 O8 2.540(4) . ?
Nd1 O31 2.547(5) . ?
Nd1 O26 2.608(4) . ?
Nd1 O9 2.624(4) . ?
Nd1 O7 2.627(4) . ?
Nd1 O1 2.653(4) . ?
Nd1 N3 2.916(6) . ?
Nd1 C28 2.942(6) . ?
Nd2 O21 2.395(4) 2_666 ?
Nd2 O14 2.408(5) . ?
Nd2 O9 2.414(4) . ?
Nd2 O16 2.442(5) . ?
Nd2 O20 2.493(4) . ?
Nd2 O11 2.507(4) . ?
Nd2 O19 2.608(4) 2_666 ?
Nd2 O30 2.664(4) . ?
Nd2 O26 2.666(4) . ?
Nd2 C34 2.936(6) 2_666 ?
Nd2 Nd3 3.8734(4) 2_666 ?
Nd2 Nd3 4.0402(4) . ?
Nd3 O18 2.408(4) . ?
Nd3 O7 2.440(4) . ?
Nd3 O21 2.451(4) 2_666 ?
Nd3 O19 2.486(4) . ?
Nd3 O21 2.496(4) . ?
Nd3 O28 2.502(4) . ?
Nd3 O11 2.543(4) . ?
Nd3 O26 2.545(4) 2_666 ?
Nd3 O23 2.585(4) . ?
Nd3 N3 2.970(6) 2_666 ?
Nd3 Nd2 3.8734(4) 2_666 ?
Nd3 Nd3 3.9975(6) 2_666 ?
Nd4 O17 2.413(5) . ?
Nd4 O32 2.429(4) . ?
Nd4 O25 2.432(5) . ?
Nd4 O5 2.472(4) . ?
Nd4 O35 2.489(5) . ?
Nd4 O28 2.502(4) . ?
Nd4 O23 2.529(4) . ?
Nd4 O29 2.561(4) . ?
Nd4 O6 2.615(4) . ?
Nd4 N4 2.959(6) . ?
Zn1 O5 2.064(4) . ?
Zn1 O2 2.075(4) 2_666 ?
Zn1 N2 2.082(5) . ?
Zn1 N1 2.099(5) 2_666 ?
Zn1 O27 2.130(4) 2_666 ?
Zn1 O32 2.286(4) . ?
Zn2 O34 1.906(5) . ?
Zn2 O24 1.937(5) . ?
Zn2 O22 1.982(6) . ?
Zn2 O29 2.098(4) . ?
Zn2 O33 2.444(9) . ?
Zn3 O34 1.934(5) . ?
Zn3 O13 1.951(5) . ?
Zn3 O15 1.964(5) . ?
Zn3 O30 2.005(4) . ?
N1 C8 1.288(9) . ?
N1 C9 1.490(9) . ?
N1 Zn1 2.099(5) 2_666 ?
N2 C15 1.281(9) . ?
N2 C14 1.467(9) . ?
N3 O27 1.278(7) . ?
N3 O23 1.278(7) 2_666 ?
N3 O26 1.308(7) . ?
N3 Nd3 2.970(6) 2_666 ?
N4 O28 1.251(7) . ?
N4 O30 1.284(7) . ?
N4 O29 1.304(7) . ?
O1 C2 1.352(8) . ?
O1 C1 1.453(8) . ?
O2 C7 1.329(7) . ?
O2 Zn1 2.075(4) 2_666 ?
O3 C11 1.407(9) . ?
O3 C10 1.423(9) . ?
O4 C12 1.406(10) . ?
O4 C13 1.417(9) . ?
O5 C21 1.326(7) . ?
O6 C20 1.401(9) . ?
O6 C22 1.443(9) . ?
O7 C24 1.275(7) . ?
O8 C24 1.253(8) . ?
O9 C28 1.282(7) . ?
O10 C28 1.239(8) . ?
O11 C26 1.293(7) . ?
O12 C26 1.260(7) . ?
O13 C30 1.280(9) . ?
O14 C30 1.235(8) . ?
O15 C36 1.277(9) . ?
O16 C36 1.191(8) . ?
O17 C32 1.261(9) . ?
O18 C32 1.258(8) . ?
O19 C34 1.281(7) . ?
O19 Nd2 2.608(4) 2_666 ?
O20 C34 1.250(8) 2_666 ?
O21 Nd2 2.395(4) 2_666 ?
O21 Nd3 2.451(4) 2_666 ?
O22 C38 1.259(9) . ?
O23 N3 1.278(7) 2_666 ?
O24 C40 1.271(9) . ?
O25 C40 1.236(9) . ?
O26 Nd3 2.545(4) 2_666 ?
O27 Zn1 2.130(4) 2_666 ?
O31 C41 1.230(8) 2_666 ?
O32 C41 1.277(7) . ?
O33 C46 1.564(10) . ?
O34 C44 1.545(9) . ?
O35 C38 1.232(9) . ?
C2 C3 1.388(9) . ?
C2 C7 1.424(9) . ?
C3 C4 1.382(11) . ?
C4 C5 1.354(11) . ?
C5 C6 1.426(9) . ?
C6 C7 1.410(9) . ?
C6 C8 1.447(10) . ?
C9 C10 1.505(10) . ?
C11 C12 1.524(12) 2_666 ?
C12 C11 1.524(12) 2_666 ?
C13 C14 1.503(10) . ?
C15 C16 1.430(10) . ?
C16 C21 1.403(10) . ?
C16 C17 1.429(11) . ?
C17 C18 1.368(13) . ?
C18 C19 1.382(13) . ?
C19 C20 1.364(11) . ?
C20 C21 1.428(10) . ?
C23 C24 1.496(9) . ?
C25 C26 1.488(9) . ?
C27 C28 1.481(9) . ?
C29 C30 1.485(10) . ?
C31 C32 1.506(9) . ?
C33 C34 1.486(9) . ?
C34 O20 1.250(8) 2_666 ?
C34 Nd2 2.936(6) 2_666 ?
C35 C36 1.528(10) . ?
C37 C38 1.484(11) . ?
C39 C40 1.504(11) . ?
C41 O31 1.230(8) 2_666 ?
C41 C42 1.516(9) . ?
O37 C49 1.460(16) . ?
O37 C48 1.62(2) . ?
C43 C44 1.515(9) . ?
C45 C46 1.524(10) . ?
C47 C48 1.54(3) . ?
C49 C50 1.463(18) . ?

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
O2 Nd1 O27 63.52(13) . . ?
O2 Nd1 O12 138.09(14) . . ?
O27 Nd1 O12 140.83(14) . . ?
O2 Nd1 O10 76.71(15) . . ?
O27 Nd1 O10 77.43(14) . . ?
O12 Nd1 O10 78.62(15) . . ?
O2 Nd1 O8 92.09(14) . . ?
O27 Nd1 O8 142.16(15) . . ?
O12 Nd1 O8 76.69(16) . . ?
O10 Nd1 O8 127.14(15) . . ?
O2 Nd1 O31 72.08(14) . . ?
O27 Nd1 O31 72.40(13) . . ?
O12 Nd1 O31 137.61(14) . . ?
O10 Nd1 O31 143.70(15) . . ?
O8 Nd1 O31 72.66(15) . . ?
O2 Nd1 O26 111.29(13) . . ?
O27 Nd1 O26 51.33(12) . . ?
O12 Nd1 O26 107.68(13) . . ?
O10 Nd1 O26 105.58(13) . . ?
O8 Nd1 O26 126.24(13) . . ?
O31 Nd1 O26 70.19(14) . . ?
O2 Nd1 O9 115.47(13) . . ?
O27 Nd1 O9 70.80(13) . . ?
O12 Nd1 O9 70.04(14) . . ?
O10 Nd1 O9 50.05(13) . . ?
O8 Nd1 O9 146.46(15) . . ?
O31 Nd1 O9 132.04(14) . . ?
O26 Nd1 O9 63.01(13) . . ?
O2 Nd1 O7 130.70(13) . . ?
O27 Nd1 O7 124.73(12) . . ?
O12 Nd1 O7 70.73(14) . . ?
O10 Nd1 O7 148.95(15) . . ?
O8 Nd1 O7 50.21(13) . . ?
O31 Nd1 O7 67.24(13) . . ?
O26 Nd1 O7 79.83(11) . . ?
O9 Nd1 O7 112.21(12) . . ?
O2 Nd1 O1 59.97(14) . . ?
O27 Nd1 O1 118.02(13) . . ?
O12 Nd1 O1 79.36(14) . . ?
O10 Nd1 O1 67.09(14) . . ?
O8 Nd1 O1 62.86(13) . . ?
O31 Nd1 O1 110.52(15) . . ?
O26 Nd1 O1 169.12(12) . . ?
O9 Nd1 O1 113.44(13) . . ?
O7 Nd1 O1 110.67(13) . . ?
O2 Nd1 N3 84.98(14) . . ?
O27 Nd1 N3 25.85(14) . . ?
O12 Nd1 N3 131.13(15) . . ?
O10 Nd1 N3 96.10(15) . . ?
O8 Nd1 N3 134.76(15) . . ?
O31 Nd1 N3 63.49(15) . . ?
O26 Nd1 N3 26.65(14) . . ?
O9 Nd1 N3 69.96(14) . . ?
O7 Nd1 N3 100.23(14) . . ?
O1 Nd1 N3 143.26(15) . . ?
O2 Nd1 C28 93.81(15) . . ?
O27 Nd1 C28 69.25(15) . . ?
O12 Nd1 C28 76.08(16) . . ?
O10 Nd1 C28 24.63(16) . . ?
O8 Nd1 C28 145.13(16) . . ?
O31 Nd1 C28 141.47(16) . . ?
O26 Nd1 C28 82.96(15) . . ?
O9 Nd1 C28 25.82(15) . . ?
O7 Nd1 C28 135.48(15) . . ?
O1 Nd1 C28 90.92(15) . . ?
N3 Nd1 C28 80.03(16) . . ?
O21 Nd2 O14 148.86(15) 2_666 . ?
O21 Nd2 O9 122.73(13) 2_666 . ?
O14 Nd2 O9 75.45(16) . . ?
O21 Nd2 O16 92.88(16) 2_666 . ?
O14 Nd2 O16 76.61(18) . . ?
O9 Nd2 O16 143.66(16) . . ?
O21 Nd2 O20 119.97(13) 2_666 . ?
O14 Nd2 O20 86.93(16) . . ?
O9 Nd2 O20 77.55(14) . . ?
O16 Nd2 O20 78.22(16) . . ?
O21 Nd2 O11 71.12(12) 2_666 . ?
O14 Nd2 O11 99.00(16) . . ?
O9 Nd2 O11 66.18(13) . . ?
O16 Nd2 O11 141.61(15) . . ?
O20 Nd2 O11 140.11(14) . . ?
O21 Nd2 O19 69.88(12) 2_666 2_666 ?
O14 Nd2 O19 130.90(15) . 2_666 ?
O9 Nd2 O19 111.32(14) . 2_666 ?
O16 Nd2 O19 71.72(16) . 2_666 ?
O20 Nd2 O19 50.79(13) . 2_666 ?
O11 Nd2 O19 128.92(13) . 2_666 ?
O21 Nd2 O30 76.51(12) 2_666 . ?
O14 Nd2 O30 72.36(15) . . ?
O9 Nd2 O30 122.23(14) . . ?
O16 Nd2 O30 69.21(15) . . ?
O20 Nd2 O30 144.47(14) . . ?
O11 Nd2 O30 73.12(13) . . ?
O19 Nd2 O30 126.10(13) 2_666 . ?
O21 Nd2 O26 65.77(12) 2_666 . ?
O14 Nd2 O26 140.04(14) . . ?
O9 Nd2 O26 64.89(13) . . ?
O16 Nd2 O26 135.68(15) . . ?
O20 Nd2 O26 80.22(13) . . ?
O11 Nd2 O26 70.00(13) . . ?
O19 Nd2 O26 64.62(12) 2_666 . ?
O30 Nd2 O26 133.67(11) . . ?
O21 Nd2 C34 95.47(15) 2_666 2_666 ?
O14 Nd2 C34 108.81(18) . 2_666 ?
O9 Nd2 C34 94.73(16) . 2_666 ?
O16 Nd2 C34 72.94(17) . 2_666 ?
O20 Nd2 C34 24.94(16) . 2_666 ?
O11 Nd2 C34 141.14(16) . 2_666 ?
O19 Nd2 C34 25.85(15) 2_666 2_666 ?
O30 Nd2 C34 140.71(16) . 2_666 ?
O26 Nd2 C34 71.25(15) . 2_666 ?
O21 Nd2 Nd3 38.56(9) 2_666 2_666 ?
O14 Nd2 Nd3 170.07(13) . 2_666 ?
O9 Nd2 Nd3 105.37(10) . 2_666 ?
O16 Nd2 Nd3 98.37(13) . 2_666 ?
O20 Nd2 Nd3 83.64(10) . 2_666 ?
O11 Nd2 Nd3 90.24(9) . 2_666 ?
O19 Nd2 Nd3 39.34(9) 2_666 2_666 ?
O30 Nd2 Nd3 114.19(9) . 2_666 ?
O26 Nd2 Nd3 40.80(8) . 2_666 ?
C34 Nd2 Nd3 61.32(12) 2_666 2_666 ?
O21 Nd2 Nd3 33.96(9) 2_666 . ?
O14 Nd2 Nd3 129.28(13) . . ?
O9 Nd2 Nd3 96.51(10) . . ?
O16 Nd2 Nd3 119.22(12) . . ?
O20 Nd2 Nd3 141.12(11) . . ?
O11 Nd2 Nd3 37.17(9) . . ?
O19 Nd2 Nd3 99.04(9) 2_666 . ?
O30 Nd2 Nd3 70.67(8) . . ?
O26 Nd2 Nd3 63.00(8) . . ?
C34 Nd2 Nd3 121.82(12) 2_666 . ?
Nd3 Nd2 Nd3 60.638(8) 2_666 . ?
O18 Nd3 O7 76.97(15) . . ?
O18 Nd3 O21 143.24(14) . 2_666 ?
O7 Nd3 O21 110.65(13) . 2_666 ?
O18 Nd3 O19 82.23(15) . . ?
O7 Nd3 O19 80.80(13) . . ?
O21 Nd3 O19 133.89(13) 2_666 . ?
O18 Nd3 O21 139.97(14) . . ?
O7 Nd3 O21 70.41(13) . . ?
O21 Nd3 O21 72.20(14) 2_666 . ?
O19 Nd3 O21 70.38(13) . . ?
O18 Nd3 O28 75.43(15) . . ?
O7 Nd3 O28 132.29(14) . . ?
O21 Nd3 O28 73.66(13) 2_666 . ?
O19 Nd3 O28 131.88(13) . . ?
O21 Nd3 O28 144.50(13) . . ?
O18 Nd3 O11 82.05(14) . . ?
O7 Nd3 O11 66.74(13) . . ?
O21 Nd3 O11 69.64(12) 2_666 . ?
O19 Nd3 O11 146.35(13) . . ?
O21 Nd3 O11 104.89(13) . . ?
O28 Nd3 O11 71.47(13) . . ?
O18 Nd3 O26 129.38(14) . 2_666 ?
O7 Nd3 O26 132.93(13) . 2_666 ?
O21 Nd3 O26 72.74(12) 2_666 2_666 ?
O19 Nd3 O26 68.17(13) . 2_666 ?
O21 Nd3 O26 66.32(12) . 2_666 ?
O28 Nd3 O26 94.45(13) . 2_666 ?
O11 Nd3 O26 142.18(12) . 2_666 ?
O18 Nd3 O23 80.85(14) . . ?
O7 Nd3 O23 145.75(13) . . ?
O21 Nd3 O23 102.77(12) 2_666 . ?
O19 Nd3 O23 70.54(13) . . ?
O21 Nd3 O23 114.73(12) . . ?
O28 Nd3 O23 64.23(13) . . ?
O11 Nd3 O23 135.20(13) . . ?
O26 Nd3 O23 51.36(12) 2_666 . ?
O18 Nd3 N3 105.36(16) . 2_666 ?
O7 Nd3 N3 147.90(14) . 2_666 ?
O21 Nd3 N3 86.89(13) 2_666 2_666 ?
O19 Nd3 N3 68.09(14) . 2_666 ?
O21 Nd3 N3 91.17(14) . 2_666 ?
O28 Nd3 N3 77.52(14) . 2_666 ?
O11 Nd3 N3 145.16(14) . 2_666 ?
O26 Nd3 N3 25.99(14) 2_666 2_666 ?
O23 Nd3 N3 25.41(14) . 2_666 ?
O18 Nd3 Nd2 123.92(11) . 2_666 ?
O7 Nd3 Nd2 90.26(10) . 2_666 ?
O21 Nd3 Nd2 92.53(9) 2_666 2_666 ?
O19 Nd3 Nd2 41.70(10) . 2_666 ?
O21 Nd3 Nd2 36.74(8) . 2_666 ?
O28 Nd3 Nd2 137.45(10) . 2_666 ?
O11 Nd3 Nd2 141.56(10) . 2_666 ?
O26 Nd3 Nd2 43.21(9) 2_666 2_666 ?
O23 Nd3 Nd2 80.81(9) . 2_666 ?
N3 Nd3 Nd2 61.40(11) 2_666 2_666 ?
O18 Nd3 Nd3 165.76(11) . 2_666 ?
O7 Nd3 Nd3 90.39(9) . 2_666 ?
O21 Nd3 Nd3 36.48(9) 2_666 2_666 ?
O19 Nd3 Nd3 102.43(10) . 2_666 ?
O21 Nd3 Nd3 35.71(8) . 2_666 ?
O28 Nd3 Nd3 109.63(9) . 2_666 ?
O11 Nd3 Nd3 86.97(9) . 2_666 ?
O26 Nd3 Nd3 64.36(8) 2_666 2_666 ?
O23 Nd3 Nd3 113.38(8) . 2_666 ?
N3 Nd3 Nd3 88.82(11) 2_666 2_666 ?
Nd2 Nd3 Nd3 61.745(8) 2_666 2_666 ?
O17 Nd4 O32 145.46(17) . . ?
O17 Nd4 O25 132.37(17) . . ?
O32 Nd4 O25 81.19(16) . . ?
O17 Nd4 O5 103.74(16) . . ?
O32 Nd4 O5 67.31(13) . . ?
O25 Nd4 O5 83.56(15) . . ?
O17 Nd4 O35 71.54(19) . . ?
O32 Nd4 O35 138.26(16) . . ?
O25 Nd4 O35 72.04(18) . . ?
O5 Nd4 O35 137.29(16) . . ?
O17 Nd4 O28 80.81(15) . . ?
O32 Nd4 O28 83.74(14) . . ?
O25 Nd4 O28 126.43(15) . . ?
O5 Nd4 O28 135.10(14) . . ?
O35 Nd4 O28 87.04(16) . . ?
O17 Nd4 O23 70.17(15) . . ?
O32 Nd4 O23 75.31(14) . . ?
O25 Nd4 O23 152.59(15) . . ?
O5 Nd4 O23 74.55(13) . . ?
O35 Nd4 O23 135.36(17) . . ?
O28 Nd4 O23 65.05(13) . . ?
O17 Nd4 O29 118.30(16) . . ?
O32 Nd4 O29 72.31(14) . . ?
O25 Nd4 O29 75.67(15) . . ?
O5 Nd4 O29 136.81(14) . . ?
O35 Nd4 O29 70.42(15) . . ?
O28 Nd4 O29 50.78(13) . . ?
O23 Nd4 O29 109.56(13) . . ?
O17 Nd4 O6 67.46(16) . . ?
O32 Nd4 O6 125.44(14) . . ?
O25 Nd4 O6 76.23(17) . . ?
O5 Nd4 O6 61.33(14) . . ?
O35 Nd4 O6 78.80(16) . . ?
O28 Nd4 O6 147.92(15) . . ?
O23 Nd4 O6 106.27(14) . . ?
O29 Nd4 O6 143.31(14) . . ?
O17 Nd4 N4 99.70(17) . . ?
O32 Nd4 N4 76.68(14) . . ?
O25 Nd4 N4 101.74(17) . . ?
O5 Nd4 N4 142.40(15) . . ?
O35 Nd4 N4 78.13(16) . . ?
O28 Nd4 N4 24.71(15) . . ?
O23 Nd4 N4 86.51(14) . . ?
O29 Nd4 N4 26.07(15) . . ?
O6 Nd4 N4 156.25(15) . . ?
O5 Zn1 O2 164.27(16) . 2_666 ?
O5 Zn1 N2 91.35(19) . . ?
O2 Zn1 N2 101.03(19) 2_666 . ?
O5 Zn1 N1 97.9(2) . 2_666 ?
O2 Zn1 N1 88.37(19) 2_666 2_666 ?
N2 Zn1 N1 104.8(2) . 2_666 ?
O5 Zn1 O27 93.38(16) . 2_666 ?
O2 Zn1 O27 77.08(15) 2_666 2_666 ?
N2 Zn1 O27 90.13(18) . 2_666 ?
N1 Zn1 O27 161.01(18) 2_666 2_666 ?
O5 Zn1 O32 77.10(15) . . ?
O2 Zn1 O32 89.11(16) 2_666 . ?
N2 Zn1 O32 165.68(19) . . ?
N1 Zn1 O32 85.45(18) 2_666 . ?
O27 Zn1 O32 82.23(15) 2_666 . ?
O34 Zn2 O24 120.2(2) . . ?
O34 Zn2 O22 115.7(3) . . ?
O24 Zn2 O22 118.4(3) . . ?
O34 Zn2 O29 90.9(2) . . ?
O24 Zn2 O29 107.07(19) . . ?
O22 Zn2 O29 95.5(2) . . ?
O34 Zn2 O33 86.5(3) . . ?
O24 Zn2 O33 81.5(3) . . ?
O22 Zn2 O33 78.2(3) . . ?
O29 Zn2 O33 171.2(3) . . ?
O34 Zn3 O13 104.6(2) . . ?
O34 Zn3 O15 110.4(2) . . ?
O13 Zn3 O15 105.3(3) . . ?
O34 Zn3 O30 113.72(19) . . ?
O13 Zn3 O30 113.3(2) . . ?
O15 Zn3 O30 109.1(2) . . ?
C8 N1 C9 116.2(6) . . ?
C8 N1 Zn1 126.2(5) . 2_666 ?
C9 N1 Zn1 117.5(4) . 2_666 ?
C15 N2 C14 117.1(6) . . ?
C15 N2 Zn1 122.6(4) . . ?
C14 N2 Zn1 120.1(4) . . ?
O27 N3 O23 123.8(5) . 2_666 ?
O27 N3 O26 117.6(5) . . ?
O23 N3 O26 118.5(5) 2_666 . ?
O27 N3 Nd1 58.2(3) . . ?
O23 N3 Nd1 157.8(4) 2_666 . ?
O26 N3 Nd1 63.4(3) . . ?
O27 N3 Nd3 172.6(4) . 2_666 ?
O23 N3 Nd3 60.2(3) 2_666 2_666 ?
O26 N3 Nd3 58.5(3) . 2_666 ?
Nd1 N3 Nd3 115.47(18) . 2_666 ?
O28 N4 O30 123.3(5) . . ?
O28 N4 O29 116.4(5) . . ?
O30 N4 O29 120.3(5) . . ?
O28 N4 Nd4 56.8(3) . . ?
O30 N4 Nd4 178.7(4) . . ?
O29 N4 Nd4 59.6(3) . . ?
C2 O1 C1 117.7(5) . . ?
C2 O1 Nd1 114.8(4) . . ?
C1 O1 Nd1 120.7(4) . . ?
C7 O2 Zn1 128.3(4) . 2_666 ?
C7 O2 Nd1 120.3(4) . . ?
Zn1 O2 Nd1 110.11(16) 2_666 . ?
C11 O3 C10 115.2(7) . . ?
C12 O4 C13 113.9(7) . . ?
C21 O5 Zn1 125.2(4) . . ?
C21 O5 Nd4 118.1(4) . . ?
Zn1 O5 Nd4 109.24(16) . . ?
C20 O6 C22 115.8(6) . . ?
C20 O6 Nd4 112.0(4) . . ?
C22 O6 Nd4 121.6(4) . . ?
C24 O7 Nd3 144.1(4) . . ?
C24 O7 Nd1 92.2(3) . . ?
Nd3 O7 Nd1 120.46(15) . . ?
C24 O8 Nd1 96.9(4) . . ?
C28 O9 Nd2 154.4(4) . . ?
C28 O9 Nd1 91.1(3) . . ?
Nd2 O9 Nd1 112.22(15) . . ?
C28 O10 Nd1 98.1(3) . . ?
C26 O11 Nd2 127.6(3) . . ?
C26 O11 Nd3 125.0(3) . . ?
Nd2 O11 Nd3 106.27(14) . . ?
C26 O12 Nd1 110.1(4) . . ?
C30 O13 Zn3 120.3(4) . . ?
C30 O14 Nd2 149.4(5) . . ?
C36 O15 Zn3 113.6(4) . . ?
C36 O16 Nd2 163.9(5) . . ?
C32 O17 Nd4 141.3(4) . . ?
C32 O18 Nd3 135.7(4) . . ?
C34 O19 Nd3 140.1(4) . . ?
C34 O19 Nd2 91.5(4) . 2_666 ?
Nd3 O19 Nd2 98.96(14) . 2_666 ?
C34 O20 Nd2 97.8(4) 2_666 . ?
Nd2 O21 Nd3 112.95(14) 2_666 2_666 ?
Nd2 O21 Nd3 104.69(13) 2_666 . ?
Nd3 O21 Nd3 107.80(14) 2_666 . ?
C38 O22 Zn2 114.4(5) . . ?
N3 O23 Nd4 129.3(3) 2_666 . ?
N3 O23 Nd3 94.4(3) 2_666 . ?
Nd4 O23 Nd3 110.77(14) . . ?
C40 O24 Zn2 126.2(5) . . ?
C40 O25 Nd4 148.7(5) . . ?
N3 O26 Nd3 95.5(3) . 2_666 ?
N3 O26 Nd1 89.9(3) . . ?
Nd3 O26 Nd1 150.02(17) 2_666 . ?
N3 O26 Nd2 124.9(3) . . ?
Nd3 O26 Nd2 96.00(12) 2_666 . ?
Nd1 O26 Nd2 104.95(14) . . ?
N3 O27 Zn1 129.7(4) . 2_666 ?
N3 O27 Nd1 95.9(3) . . ?
Zn1 O27 Nd1 108.00(15) 2_666 . ?
N4 O28 Nd4 98.5(3) . . ?
N4 O28 Nd3 144.7(4) . . ?
Nd4 O28 Nd3 114.48(15) . . ?
N4 O29 Zn2 130.6(4) . . ?
N4 O29 Nd4 94.3(3) . . ?
Zn2 O29 Nd4 113.19(18) . . ?
N4 O30 Zn3 117.8(4) . . ?
N4 O30 Nd2 131.3(4) . . ?
Zn3 O30 Nd2 108.62(16) . . ?
C41 O31 Nd1 130.3(4) 2_666 . ?
C41 O32 Zn1 115.7(4) . . ?
C41 O32 Nd4 132.8(4) . . ?
Zn1 O32 Nd4 103.59(15) . . ?
C46 O33 Zn2 123.8(12) . . ?
C44 O34 Zn2 119.2(6) . . ?
C44 O34 Zn3 117.1(7) . . ?
Zn2 O34 Zn3 115.9(2) . . ?
C38 O35 Nd4 145.7(5) . . ?
O1 C2 C3 126.4(6) . . ?
O1 C2 C7 113.3(5) . . ?
C3 C2 C7 120.3(7) . . ?
C4 C3 C2 121.0(7) . . ?
C5 C4 C3 119.3(6) . . ?
C4 C5 C6 122.7(7) . . ?
C7 C6 C5 117.8(6) . . ?
C7 C6 C8 125.0(6) . . ?
C5 C6 C8 117.2(6) . . ?
O2 C7 C6 124.0(6) . . ?
O2 C7 C2 117.4(6) . . ?
C6 C7 C2 118.6(6) . . ?
N1 C8 C6 127.0(6) . . ?
N1 C9 C10 110.1(5) . . ?
O3 C10 C9 108.1(6) . . ?
O3 C11 C12 112.4(7) . 2_666 ?
O4 C12 C11 109.4(8) . 2_666 ?
O4 C13 C14 109.0(6) . . ?
N2 C14 C13 111.1(6) . . ?
N2 C15 C16 128.4(6) . . ?
C21 C16 C17 117.9(7) . . ?
C21 C16 C15 126.1(6) . . ?
C17 C16 C15 115.7(7) . . ?
C18 C17 C16 122.3(8) . . ?
C17 C18 C19 119.6(8) . . ?
C20 C19 C18 119.9(8) . . ?
C19 C20 O6 124.2(7) . . ?
C19 C20 C21 122.3(7) . . ?
O6 C20 C21 113.5(6) . . ?
O5 C21 C16 124.8(6) . . ?
O5 C21 C20 117.3(6) . . ?
C16 C21 C20 117.9(6) . . ?
O8 C24 O7 120.4(5) . . ?
O8 C24 C23 120.6(6) . . ?
O7 C24 C23 118.9(6) . . ?
O8 C24 Nd1 58.3(3) . . ?
O7 C24 Nd1 62.3(3) . . ?
C23 C24 Nd1 171.7(5) . . ?
O12 C26 O11 121.0(5) . . ?
O12 C26 C25 120.5(6) . . ?
O11 C26 C25 118.5(5) . . ?
O10 C28 O9 118.8(5) . . ?
O10 C28 C27 121.4(6) . . ?
O9 C28 C27 119.6(6) . . ?
O10 C28 Nd1 57.3(3) . . ?
O9 C28 Nd1 63.1(3) . . ?
C27 C28 Nd1 163.3(5) . . ?
O14 C30 O13 123.8(6) . . ?
O14 C30 C29 119.0(7) . . ?
O13 C30 C29 117.2(6) . . ?
O18 C32 O17 124.3(6) . . ?
O18 C32 C31 117.5(7) . . ?
O17 C32 C31 118.2(6) . . ?
O20 C34 O19 119.9(6) 2_666 . ?
O20 C34 C33 120.8(6) 2_666 . ?
O19 C34 C33 119.2(6) . . ?
O20 C34 Nd2 57.3(3) 2_666 2_666 ?
O19 C34 Nd2 62.6(3) . 2_666 ?
C33 C34 Nd2 176.0(5) . 2_666 ?
O16 C36 O15 122.4(7) . . ?
O16 C36 C35 121.3(7) . . ?
O15 C36 C35 116.3(6) . . ?
O35 C38 O22 123.8(7) . . ?
O35 C38 C37 120.2(7) . . ?
O22 C38 C37 116.0(7) . . ?
O25 C40 O24 125.1(6) . . ?
O25 C40 C39 117.4(7) . . ?
O24 C40 C39 117.5(7) . . ?
O31 C41 O32 124.1(6) 2_666 . ?
O31 C41 C42 119.2(6) 2_666 . ?
O32 C41 C42 116.7(6) . . ?
C49 O37 C48 120.9(13) . . ?
C43 C44 O34 104.9(11) . . ?
C45 C46 O33 106.6(17) . . ?
C47 C48 O37 103.1(16) . . ?
O37 C49 C50 117.8(12) . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.852
_refine_diff_density_min         -1.250
_refine_diff_density_rms         0.313
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Heat-sensitive
_exptl_crystal_preparation       Luminescent
