# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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. 
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data_KLDyCl2_15K_MonoP
_audit_block_doi                 10.5517/ccdc.csd.cc2259sc
_database_code_depnum_ccdc_archive 'CCDC 1911732'
loop_
_audit_author_name
_audit_author_address
'Jesse Murillo'
;University of Texas at El Paso
United States of America
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_audit_creation_date             2018-08-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        '[K(DME)3][LArDy(Cl)2'
_chemical_formula_moiety         
'3(C54 H75 Cl2 Dy K N2 O6), C54 H68.15 Cl2 Dy K N2 O6'
_chemical_formula_sum            'C216 H293.20 Cl8 Dy4 K4 N8 O24'
_chemical_formula_weight         4475.78
_chemical_absolute_configuration unk
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0009 0.0002 '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'
Cl Cl 0.0265 0.0290 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -1.2327 1.0412 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.0416 0.0467 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N -0.0010 0.0005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0006 0.0009 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_H-M_alt        'P 1 n 1'
_space_group_name_Hall           'P -2yac'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 'x+1/2, -y, z+1/2'

_cell_length_a                   21.2253(8)
_cell_length_b                   15.7848(7)
_cell_length_c                   34.2624(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.3040(10)
_cell_angle_gamma                90.00
_cell_volume                     11072.1(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    15
_cell_measurement_theta_max      11.09
_cell_measurement_theta_min      2.19
_exptl_absorpt_coefficient_mu    1.568
_exptl_absorpt_correction_T_max  0.7435
_exptl_absorpt_correction_T_min  0.6984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0808 before and 0.0598 after correction. The Ratio of minimum to maximum transmission is 0.9393. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear yellowish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4626
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            262760
_diffrn_reflns_theta_full        26.30
_diffrn_reflns_theta_max         26.30
_diffrn_reflns_theta_min         1.43
_diffrn_ambient_temperature      15.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_reflns_number_gt                36164
_reflns_number_total             43097
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         2.198
_refine_diff_density_min         -2.288
_refine_diff_density_rms         0.142
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.0(2)
_refine_ls_extinction_coef       0.00124(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2444
_refine_ls_number_reflns         43097
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0633P)²+30.0641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1259
_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. 
;
_vrf_PLAT924_KLDyCl2_15K_MonoP   
;
PROBLEM: The Reported and Calculated Rho(min) Differ by . 5.01 eA-3
RESPONSE: The Reported and Calculated values may differ slightly 
due to a differing peak interpolation algorithm.  
;
_vrf_PLAT974_KLDyCl2_15K_MonoP   
;
PROBLEM: Check Calcd Negative Resid. Density on Dy3 -7.30 eA-3
RESPONSE: The residual density hole is associated with 
the heavy atom positions, i.e. dyprosium.  
This may be caused by insufficient absorption correction 
or highly polarized electron densities.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.55(2)
 0.45(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained angles
 C212-O22-C211
 fixed at 109 with sigma of 0.02
 C209-O21-C210
 fixed at 109 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
O24A \\sim C21A \\sim C21B: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uanis(N8) \\sim Ueq, Uanis(C139) \\sim Ueq: with sigma of 0.05 and sigma for
terminal atoms of 0.04
Uanis(C139) \\sim Ueq, Uanis(N8) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N6) \\sim Ueq, Uanis(C139) \\sim Ueq, Uanis(N8) \\sim Ueq, Uanis(C9)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.005
Uanis(O21) \\sim Ueq, Uanis(C210) \\sim Ueq, Uanis(C211) \\sim Ueq, Uanis(C209)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C215) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O23) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C21A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O24A) = Uanis(C21A) = Uanis(C21B)
5. Others
 Sof(O24A)=Sof(H21J)=Sof(H21K)=1-FVAR(1)
 Sof(O24B)=FVAR(1)
 Fixed Sof: Dy1(0.95) Dy1B(0.05) Dy2(0.95) Dy2B(0.05) Dy3(0.95) Dy3B(0.05)
 Dy4(0.95) Dy4B(0.05) C21A(0.6) C21B(0.4)
 Fixed X: Dy1B(0.45163) Dy2B(0.95227) Dy3B(0.06961) Dy4B(0.57232)
 Fixed Y: Dy1B(0.069361) Dy2B(0.56756) Dy3B(0.422689) Dy4B(0.935569)
 Fixed Z: Dy1B(0.620501) Dy2B(0.622321) Dy3B(0.39889) Dy4B(0.39311)
6.a Ternary CH refined with riding coordinates:
 C19(H19), C22(H22), C37(H37), C40(H40), C73(H73), C76(H76), C91(H91),
 C94(H94), C127(H127), C130(H130), C145(H145), C148(H148), C181(H181),
 C184(H184), C199(H199), C202(H202)
6.b Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C48(H48A,H48B), C49(H49A,H49B), C52(H52A,H52B), C53(H53A,
 H53B), C98(H98A,H98B), C99(H99A,H99B), C103(H10G,H10H), C106(H10O,H10P),
 C107(H10Q,H10R), C152(H15G,H15H), C153(H15I,H15J), C156(H15Q,H15R), C157(H15S,
 H15T), C160(H16A,H16B), C206(H20S,H20T), C207(H20U,H20V), C215(H21J,H21K)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C15(H15),
 C16(H16), C17(H17), C26(H26), C27(H27), C28(H28), C29(H29), C33(H33), C34(H34),
  C35(H35), C44(H44), C56(H56), C57(H57), C59(H59), C60(H60), C62(H62),
 C63(H63), C64(H64), C65(H65), C69(H69), C70(H70), C71(H71), C81(H81), C82(H82),
  C83(H83), C84(H84), C87(H87), C88(H88), C89(H89), C102(H102), C110(H110),
 C111(H111), C113(H113), C114(H114), C116(H116), C117(H117), C118(H118),
 C119(H119), C123(H123), C124(H124), C125(H125), C135(H135), C136(H136),
 C137(H137), C138(H138), C141(H141), C142(H142), C143(H143), C161(H161),
 C164(H164), C165(H165), C167(H167), C168(H168), C170(H170), C171(H171),
 C172(H172), C173(H173), C177(H177), C178(H178), C179(H179), C189(H189),
 C190(H190), C191(H191), C192(H192), C195(H195), C196(H196), C197(H197),
 C210(H210), C211(H211), C214(H214)
6.d X=CH2 refined with riding coordinates:
 C209(H20Z,HA)
6.e Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C24(H24A,H24B,
 H24C), C38(H38A,H38B,H38C), C39(H39A,H39B,H39C), C41(H41A,H41B,H41C), C42(H42A,
 H42B,H42C), C43(H43A,H43B,H43C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C),
 C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C54(H54A,H54B,H54C), C74(H74A,H74B,
 H74C), C75(H75A,H75B,H75C), C77(H77A,H77B,H77C), C78(H78A,H78B,H78C), C92(H92A,
 H92B,H92C), C93(H93A,H93B,H93C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C),
 C97(H97A,H97B,H97C), C100(H10A,H10B,H10C), C101(H10D,H10E,H10F), C104(H10I,
 H10J,H10K), C105(H10L,H10M,H10N), C108(H10S,H10T,H10U), C128(H12A,H12B,H12C),
 C129(H12D,H12E,H12F), C131(H13A,H13B,H13C), C132(H13D,H13E,H13F), C146(H14A,
 H14B,H14C), C147(H14D,H14E,H14F), C149(H14G,H14H,H14I), C150(H15A,H15B,H15C),
 C151(H15D,H15E,H15F), C154(H15K,H15L,H15M), C155(H15N,H15O,H15P), C158(H15U,
 H15V,H15W), C159(H15X,H15Y,H), C162(H16C,H16D,H16E), C182(H18A,H18B,H18C),
 C183(H18D,H18E,H18F), C185(H18G,H18H,H18I), C186(H18J,H18K,H18L), C200(H20D,
 H20E,H20F), C201(H20G,H20H,H20I), C203(H20J,H20K,H20L), C204(H20M,H20N,H20O),
 C205(H20P,H20Q,H20R), C208(H20W,H20X,H20Y), C212(H21D,H21E,H21F), C213(H21G,
 H21H,H21I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.4459(2) 0.09296(3) 0.61966(13) 0.01174(8) Uani 0.95 d . . . .
Dy1B Dy 0.4516 0.0694 0.6205 0.008(2) Uiso 0.05 d . . . .
K1 K 0.4502(2) 0.43321(9) 0.63987(14) 0.0198(3) Uani 1 d . . . .
Cl1 Cl 0.4816(2) -0.00889(10) 0.67834(14) 0.0193(3) Uani 1 d . . . .
Cl2 Cl 0.4650(2) 0.23687(10) 0.65487(14) 0.0171(3) Uani 1 d . . . .
O1 O 0.5725(3) 0.4065(3) 0.63060(19) 0.0257(11) Uani 1 d . . . .
O2 O 0.5308(3) 0.5736(3) 0.6459(2) 0.0284(11) Uani 1 d . . . .
O3 O 0.3706(3) 0.5457(3) 0.58149(19) 0.0224(10) Uani 1 d . . . .
O4 O 0.3268(3) 0.3846(3) 0.60011(19) 0.0191(10) Uani 1 d . . . .
O5 O 0.3776(3) 0.5063(3) 0.68395(19) 0.0270(11) Uani 1 d . . . .
O6 O 0.4982(3) 0.4302(3) 0.7217(2) 0.0292(11) Uani 1 d . . . .
N1 N 0.5514(3) 0.0692(4) 0.6077(2) 0.0182(11) Uani 1 d . . . .
N2 N 0.3361(3) 0.0647(4) 0.6221(2) 0.0168(11) Uani 1 d . . . .
C1 C 0.4678(4) 0.1487(4) 0.5436(2) 0.0174(13) Uani 1 d . . . .
C2 C 0.4311(4) 0.0734(4) 0.5348(2) 0.0162(12) Uani 1 d . . . .
H2 H 0.4495 0.0243 0.5262 0.019 Uiso 1 calc . . R .
C3 C 0.3666(4) 0.0717(4) 0.5388(2) 0.0159(12) Uani 1 d . . . .
H3 H 0.3417 0.0210 0.5332 0.019 Uiso 1 calc . . R .
C4 C 0.3392(4) 0.1445(4) 0.5512(2) 0.0148(12) Uani 1 d . . . .
C5 C 0.3740(4) 0.2199(4) 0.5573(2) 0.0158(12) Uani 1 d . . . .
H5 H 0.3547 0.2701 0.5642 0.019 Uiso 1 calc . . R .
C6 C 0.4378(4) 0.2212(4) 0.5531(2) 0.0155(12) Uani 1 d . . . .
H6 H 0.4613 0.2731 0.5569 0.019 Uiso 1 calc . . R .
C7 C 0.5384(4) 0.1490(4) 0.5456(2) 0.0149(12) Uani 1 d . . . .
C8 C 0.5624(4) 0.1922(4) 0.5177(2) 0.0189(13) Uani 1 d . . . .
H8 H 0.5334 0.2223 0.4964 0.023 Uiso 1 calc . . R .
C9 C 0.6301(4) 0.1919(4) 0.5209(2) 0.0181(13) Uani 1 d . . . U
H9 H 0.6474 0.2222 0.5021 0.022 Uiso 1 calc . . R .
C10 C 0.6701(4) 0.1465(4) 0.5519(2) 0.0209(14) Uani 1 d . . . .
H10 H 0.7158 0.1452 0.5545 0.025 Uiso 1 calc . . R .
C11 C 0.6453(4) 0.1028(4) 0.5793(2) 0.0185(13) Uani 1 d . . . .
H11 H 0.6749 0.0707 0.5996 0.022 Uiso 1 calc . . R .
C12 C 0.5785(4) 0.1028(4) 0.5793(2) 0.0173(13) Uani 1 d . . . .
C13 C 0.5989(4) 0.0188(4) 0.6363(2) 0.0162(13) Uani 1 d . . . .
C14 C 0.6410(4) 0.0552(4) 0.6715(2) 0.0175(14) Uani 1 d . . . .
C15 C 0.6864(4) 0.0046(4) 0.6975(2) 0.0191(13) Uani 1 d . . . .
H15 H 0.7147 0.0295 0.7209 0.023 Uiso 1 calc . . R .
C16 C 0.6922(4) -0.0803(4) 0.6908(2) 0.0204(14) Uani 1 d . . . .
H16 H 0.7243 -0.1135 0.7089 0.025 Uiso 1 calc . . R .
C17 C 0.6498(4) -0.1175(4) 0.6565(2) 0.0205(14) Uani 1 d . . . .
H17 H 0.6522 -0.1767 0.6521 0.025 Uiso 1 calc . . R .
C18 C 0.6044(4) -0.0689(4) 0.6290(2) 0.0157(13) Uani 1 d . . . .
C19 C 0.5613(4) -0.1136(4) 0.5917(2) 0.0196(13) Uani 1 d . . . .
H19 H 0.5333 -0.0695 0.5745 0.024 Uiso 1 calc . . R .
C20 C 0.6012(4) -0.1557(5) 0.5665(3) 0.0264(15) Uani 1 d . . . .
H20A H 0.6247 -0.1123 0.5554 0.040 Uiso 1 calc . . GR .
H20B H 0.5721 -0.1871 0.5443 0.040 Uiso 1 calc . . GR .
H20C H 0.6326 -0.1948 0.5835 0.040 Uiso 1 calc . . GR .
C21 C 0.5160(4) -0.1773(5) 0.6041(2) 0.0255(16) Uani 1 d . . . .
H21A H 0.5419 -0.2243 0.6188 0.038 Uiso 1 calc . . GR .
H21B H 0.4846 -0.1991 0.5799 0.038 Uiso 1 calc . . GR .
H21C H 0.4925 -0.1493 0.6216 0.038 Uiso 1 calc . . GR .
C22 C 0.6367(4) 0.1480(4) 0.6815(2) 0.0208(14) Uani 1 d . . . .
H22 H 0.6000 0.1734 0.6602 0.025 Uiso 1 calc . . R .
C23 C 0.6213(4) 0.1599(4) 0.7227(2) 0.0220(14) Uani 1 d . . . .
H23A H 0.5793 0.1331 0.7220 0.033 Uiso 1 calc . . GR .
H23B H 0.6189 0.2206 0.7283 0.033 Uiso 1 calc . . GR .
H23C H 0.6558 0.1337 0.7441 0.033 Uiso 1 calc . . GR .
C24 C 0.6994(4) 0.1959(5) 0.6811(3) 0.0299(16) Uani 1 d . . . .
H24A H 0.7361 0.1729 0.7021 0.045 Uiso 1 calc . . GR .
H24B H 0.6940 0.2561 0.6863 0.045 Uiso 1 calc . . GR .
H24C H 0.7081 0.1891 0.6545 0.045 Uiso 1 calc . . GR .
C25 C 0.2764(4) 0.1403(4) 0.5619(2) 0.0178(13) Uani 1 d . . . .
C26 C 0.2211(4) 0.1788(4) 0.5394(2) 0.0153(12) Uani 1 d . . . .
H26 H 0.2229 0.2083 0.5156 0.018 Uiso 1 calc . . R .
C27 C 0.1618(4) 0.1768(4) 0.5501(2) 0.0178(13) Uani 1 d . . . .
H27 H 0.1237 0.2042 0.5343 0.021 Uiso 1 calc . . R .
C28 C 0.1616(4) 0.1323(4) 0.5854(2) 0.0205(13) Uani 1 d . . . .
H28 H 0.1221 0.1286 0.5933 0.025 Uiso 1 calc . . R .
C29 C 0.2169(4) 0.0935(4) 0.6091(2) 0.0196(14) Uani 1 d . . . .
H29 H 0.2145 0.0640 0.6328 0.024 Uiso 1 calc . . R .
C30 C 0.2776(4) 0.0967(4) 0.5986(2) 0.0173(14) Uani 1 d . . . .
C31 C 0.3263(4) 0.0139(4) 0.6552(2) 0.0164(13) Uani 1 d . . . .
C32 C 0.3192(4) -0.0740(5) 0.6504(3) 0.0202(14) Uani 1 d . . . .
C33 C 0.3070(4) -0.1223(4) 0.6819(3) 0.0240(15) Uani 1 d . . . .
H33 H 0.3026 -0.1820 0.6790 0.029 Uiso 1 calc . . R .
C34 C 0.3014(4) -0.0847(5) 0.7170(3) 0.0235(16) Uani 1 d . . . .
H34 H 0.2913 -0.1177 0.7377 0.028 Uiso 1 calc . . R .
C35 C 0.3107(4) 0.0019(4) 0.7219(3) 0.0226(14) Uani 1 d . . . .
H35 H 0.3083 0.0273 0.7466 0.027 Uiso 1 calc . . R .
C36 C 0.3233(4) 0.0524(4) 0.6918(2) 0.0181(14) Uani 1 d . . . .
C37 C 0.3343(4) 0.1465(4) 0.6992(2) 0.0207(14) Uani 1 d . . . .
H37 H 0.3436 0.1716 0.6745 0.025 Uiso 1 calc . . R .
C38 C 0.3943(4) 0.1614(5) 0.7347(2) 0.0259(15) Uani 1 d . . . .
H38A H 0.3837 0.1471 0.7601 0.039 Uiso 1 calc . . GR .
H38B H 0.4072 0.2211 0.7353 0.039 Uiso 1 calc . . GR .
H38C H 0.4304 0.1256 0.7316 0.039 Uiso 1 calc . . GR .
C39 C 0.2751(4) 0.1931(5) 0.7066(3) 0.0263(15) Uani 1 d . . . .
H39A H 0.2373 0.1852 0.6833 0.039 Uiso 1 calc . . GR .
H39B H 0.2850 0.2536 0.7104 0.039 Uiso 1 calc . . GR .
H39C H 0.2652 0.1702 0.7309 0.039 Uiso 1 calc . . GR .
C40 C 0.3275(4) -0.1172(4) 0.6120(3) 0.0252(16) Uani 1 d . . . .
H40 H 0.3612 -0.0846 0.6028 0.030 Uiso 1 calc . . R .
C41 C 0.2635(4) -0.1152(4) 0.5770(3) 0.0256(15) Uani 1 d . . . .
H41A H 0.2297 -0.1483 0.5848 0.038 Uiso 1 calc . . GR .
H41B H 0.2719 -0.1397 0.5526 0.038 Uiso 1 calc . . GR .
H41C H 0.2488 -0.0565 0.5717 0.038 Uiso 1 calc . . GR .
C42 C 0.3521(4) -0.2087(4) 0.6195(3) 0.0270(17) Uani 1 d . . . .
H42A H 0.3912 -0.2101 0.6424 0.040 Uiso 1 calc . . GR .
H42B H 0.3629 -0.2305 0.5953 0.040 Uiso 1 calc . . GR .
H42C H 0.3180 -0.2441 0.6257 0.040 Uiso 1 calc . . GR .
C43 C 0.5911(4) 0.3404(5) 0.6076(3) 0.0282(16) Uani 1 d . . . .
H43A H 0.5627 0.2912 0.6071 0.042 Uiso 1 calc . . GR .
H43B H 0.6366 0.3244 0.6201 0.042 Uiso 1 calc . . GR .
H43C H 0.5867 0.3602 0.5799 0.042 Uiso 1 calc . . GR .
C44 C 0.6097(5) 0.4812(5) 0.6312(3) 0.0357(18) Uani 1 d . . . .
H44 H 0.6391 0.4905 0.6150 0.043 Uiso 1 calc . . R .
C45 C 0.5964(4) 0.5429(5) 0.6605(3) 0.0318(17) Uani 1 d . . . .
H45A H 0.6020 0.5154 0.6871 0.038 Uiso 1 calc . . R .
H45B H 0.6275 0.5908 0.6638 0.038 Uiso 1 calc . . R .
C46 C 0.5126(4) 0.6288(5) 0.6738(3) 0.0301(16) Uani 1 d . . . .
H46A H 0.4673 0.6471 0.6627 0.045 Uiso 1 calc . . GR .
H46B H 0.5414 0.6784 0.6785 0.045 Uiso 1 calc . . GR .
H46C H 0.5167 0.5989 0.6994 0.045 Uiso 1 calc . . GR .
C47 C 0.4064(4) 0.5975(4) 0.5606(3) 0.0276(16) Uani 1 d . . . .
H47A H 0.4403 0.6288 0.5803 0.041 Uiso 1 calc . . GR .
H47B H 0.3766 0.6376 0.5430 0.041 Uiso 1 calc . . GR .
H47C H 0.4269 0.5616 0.5441 0.041 Uiso 1 calc . . GR .
C48 C 0.3208(4) 0.4990(5) 0.5536(2) 0.0238(14) Uani 1 d . . . .
H48A H 0.3408 0.4617 0.5369 0.029 Uiso 1 calc . . R .
H48B H 0.2907 0.5385 0.5353 0.029 Uiso 1 calc . . R .
C49 C 0.2840(4) 0.4468(4) 0.5764(3) 0.0222(14) Uani 1 d . . . .
H49A H 0.2663 0.4837 0.5944 0.027 Uiso 1 calc . . R .
H49B H 0.2469 0.4183 0.5573 0.027 Uiso 1 calc . . R .
C50 C 0.2957(4) 0.3370(4) 0.6252(2) 0.0199(14) Uani 1 d . . . .
H50A H 0.3281 0.3008 0.6434 0.030 Uiso 1 calc . . GR .
H50B H 0.2613 0.3017 0.6083 0.030 Uiso 1 calc . . GR .
H50C H 0.2766 0.3759 0.6412 0.030 Uiso 1 calc . . GR .
C51 C 0.3367(4) 0.5766(5) 0.6756(3) 0.0343(18) Uani 1 d . . . .
H51A H 0.3603 0.6267 0.6887 0.051 Uiso 1 calc . . GR .
H51B H 0.2984 0.5669 0.6858 0.051 Uiso 1 calc . . GR .
H51C H 0.3227 0.5858 0.6463 0.051 Uiso 1 calc . . GR .
C52 C 0.3980(5) 0.4869(6) 0.7255(3) 0.0371(18) Uani 1 d . . . .
H52A H 0.3590 0.4763 0.7356 0.045 Uiso 1 calc . . R .
H52B H 0.4214 0.5363 0.7404 0.045 Uiso 1 calc . . R .
C53 C 0.4412(4) 0.4120(5) 0.7342(3) 0.0327(17) Uani 1 d . . . .
H53A H 0.4529 0.3993 0.7636 0.039 Uiso 1 calc . . R .
H53B H 0.4187 0.3621 0.7194 0.039 Uiso 1 calc . . R .
C54 C 0.5495(4) 0.3714(5) 0.7389(3) 0.0297(16) Uani 1 d . . . .
H54A H 0.5317 0.3138 0.7368 0.044 Uiso 1 calc . . GR .
H54B H 0.5686 0.3854 0.7675 0.044 Uiso 1 calc . . GR .
H54C H 0.5833 0.3748 0.7243 0.044 Uiso 1 calc . . GR .
Dy2 Dy 0.9485(2) 0.59262(3) 0.62048(13) 0.01218(8) Uani 0.95 d . . . .
Dy2B Dy 0.9523 0.5676 0.6223 0.020(3) Uiso 0.05 d . . . .
K2 K 0.9627(2) 0.92542(9) 0.62665(14) 0.0193(3) Uani 1 d . . . .
Cl3 Cl 0.9685(2) 0.48445(11) 0.67710(14) 0.0218(3) Uani 1 d . . . .
Cl4 Cl 0.9615(2) 0.73712(10) 0.65533(14) 0.0171(3) Uani 1 d . . . .
O7 O 0.8311(3) 0.8984(3) 0.5967(2) 0.0227(10) Uani 1 d . . . .
O8 O 0.8847(3) 1.0625(4) 0.6295(2) 0.0378(13) Uani 1 d . . . .
O9 O 0.9512(5) 0.9354(4) 0.7058(2) 0.0537(18) Uani 1 d . . . .
O10 O 1.0680(4) 0.9784(5) 0.6812(3) 0.059(2) Uani 1 d . . . .
O11 O 0.9985(3) 1.0323(3) 0.56914(19) 0.0260(11) Uani 1 d . . . .
O12 O 1.0558(3) 0.8757(3) 0.58987(19) 0.0224(10) Uani 1 d . . . .
N3 N 1.0614(3) 0.5701(4) 0.6216(2) 0.0172(11) Uani 1 d . . . .
N4 N 0.8352(3) 0.5708(4) 0.6142(2) 0.0160(11) Uani 1 d . . . .
C55 C 0.9884(4) 0.6393(4) 0.5494(2) 0.0168(13) Uani 1 d . . . .
C56 C 0.9523(4) 0.5644(4) 0.5393(2) 0.0202(13) Uani 1 d . . . .
H56 H 0.9728 0.5139 0.5339 0.024 Uiso 1 calc . . R .
C57 C 0.8849(4) 0.5651(5) 0.5372(2) 0.0212(14) Uani 1 d . . . .
H57 H 0.8599 0.5147 0.5305 0.025 Uiso 1 calc . . R .
C58 C 0.8547(4) 0.6403(4) 0.5452(2) 0.0181(13) Uani 1 d . . . .
C59 C 0.8910(4) 0.7146(4) 0.5533(2) 0.0171(13) Uani 1 d . . . .
H59 H 0.8704 0.7659 0.5576 0.021 Uiso 1 calc . . R .
C60 C 0.9569(4) 0.7142(4) 0.5550(2) 0.0175(13) Uani 1 d . . . .
H60 H 0.9811 0.7655 0.5602 0.021 Uiso 1 calc . . R .
C61 C 1.0606(4) 0.6389(4) 0.5574(2) 0.0185(13) Uani 1 d . . . .
C62 C 1.0922(4) 0.6737(4) 0.5307(2) 0.0185(13) Uani 1 d . . . .
H62 H 1.0671 0.6980 0.5062 0.022 Uiso 1 calc . . R .
C63 C 1.1590(4) 0.6740(4) 0.5388(2) 0.0224(14) Uani 1 d . . . .
H63 H 1.1801 0.6983 0.5203 0.027 Uiso 1 calc . . R .
C64 C 1.1955(4) 0.6374(4) 0.5752(2) 0.0198(13) Uani 1 d . . . .
H64 H 1.2418 0.6376 0.5814 0.024 Uiso 1 calc . . R .
C65 C 1.1648(4) 0.6005(4) 0.6027(2) 0.0179(13) Uani 1 d . . . .
H65 H 1.1908 0.5753 0.6268 0.021 Uiso 1 calc . . R .
C66 C 1.0950(4) 0.6002(4) 0.5952(2) 0.0166(13) Uani 1 d . . . .
C67 C 1.1027(4) 0.5241(4) 0.6548(2) 0.0177(13) Uani 1 d . . . .
C68 C 1.1371(4) 0.5649(4) 0.6910(2) 0.0168(13) Uani 1 d . . . .
C69 C 1.1789(4) 0.5170(4) 0.7213(2) 0.0180(13) Uani 1 d . . . .
H69 H 1.2022 0.5442 0.7456 0.022 Uiso 1 calc . . R .
C70 C 1.1873(4) 0.4302(4) 0.7169(2) 0.0199(14) Uani 1 d . . . .
H70 H 1.2172 0.3989 0.7373 0.024 Uiso 1 calc . . R .
C71 C 1.1509(4) 0.3901(4) 0.6820(2) 0.0200(13) Uani 1 d . . . .
H71 H 1.1550 0.3306 0.6793 0.024 Uiso 1 calc . . R .
C72 C 1.1086(4) 0.4351(4) 0.6512(2) 0.0145(13) Uani 1 d . . . .
C73 C 1.0685(4) 0.3889(4) 0.6141(2) 0.0193(13) Uani 1 d . . . .
H73 H 1.0294 0.4248 0.6019 0.023 Uiso 1 calc . . R .
C74 C 1.1068(4) 0.3790(4) 0.5821(3) 0.0237(14) Uani 1 d . . . .
H74A H 1.1207 0.4349 0.5750 0.036 Uiso 1 calc . . GR .
H74B H 1.0789 0.3522 0.5578 0.036 Uiso 1 calc . . GR .
H74C H 1.1454 0.3435 0.5929 0.036 Uiso 1 calc . . GR .
C75 C 1.0429(4) 0.3015(5) 0.6240(3) 0.0267(16) Uani 1 d . . . .
H75A H 1.0797 0.2620 0.6325 0.040 Uiso 1 calc . . GR .
H75B H 1.0115 0.2792 0.5999 0.040 Uiso 1 calc . . GR .
H75C H 1.0215 0.3081 0.6459 0.040 Uiso 1 calc . . GR .
C76 C 1.1299(4) 0.6583(4) 0.6977(2) 0.0175(13) Uani 1 d . . . .
H76 H 1.0965 0.6809 0.6736 0.021 Uiso 1 calc . . R .
C77 C 1.1043(4) 0.6733(4) 0.7354(2) 0.0229(14) Uani 1 d . . . .
H77A H 1.0641 0.6407 0.7328 0.034 Uiso 1 calc . . GR .
H77B H 1.0952 0.7337 0.7376 0.034 Uiso 1 calc . . GR .
H77C H 1.1373 0.6549 0.7597 0.034 Uiso 1 calc . . GR .
C78 C 1.1926(4) 0.7068(5) 0.7013(2) 0.0248(15) Uani 1 d . . . .
H78A H 1.2274 0.6826 0.7231 0.037 Uiso 1 calc . . GR .
H78B H 1.1861 0.7664 0.7073 0.037 Uiso 1 calc . . GR .
H78C H 1.2050 0.7030 0.6757 0.037 Uiso 1 calc . . GR .
C79 C 0.7874(4) 0.6363(4) 0.5492(2) 0.0184(13) Uani 1 d . . . .
C80 C 0.7804(4) 0.5994(4) 0.5858(2) 0.0200(14) Uani 1 d . . . .
C81 C 0.7159(4) 0.5997(5) 0.5893(3) 0.0264(16) Uani 1 d . . . .
H81 H 0.7081 0.5774 0.6134 0.032 Uiso 1 calc . . R .
C82 C 0.6633(4) 0.6302(5) 0.5600(3) 0.0293(16) Uani 1 d . . . .
H82 H 0.6209 0.6293 0.5644 0.035 Uiso 1 calc . . R .
C83 C 0.6720(4) 0.6619(5) 0.5242(2) 0.0265(16) Uani 1 d . . . .
H83 H 0.6356 0.6808 0.5034 0.032 Uiso 1 calc . . R .
C84 C 0.7345(4) 0.6658(5) 0.5191(2) 0.0246(15) Uani 1 d . . . .
H84 H 0.7413 0.6889 0.4949 0.029 Uiso 1 calc . . R .
C85 C 0.8158(4) 0.5181(4) 0.6443(2) 0.0190(14) Uani 1 d . . . .
C86 C 0.8047(4) 0.4317(5) 0.6360(2) 0.0206(14) Uani 1 d . . . .
C87 C 0.7849(4) 0.3817(5) 0.6638(3) 0.0280(16) Uani 1 d . . . .
H87 H 0.7778 0.3229 0.6585 0.034 Uiso 1 calc . . R .
C88 C 0.7753(4) 0.4150(5) 0.6986(3) 0.0271(16) Uani 1 d . . . .
H88 H 0.7611 0.3799 0.7171 0.033 Uiso 1 calc . . R .
C89 C 0.7862(4) 0.4995(4) 0.7064(2) 0.0218(14) Uani 1 d . . . .
H89 H 0.7782 0.5229 0.7301 0.026 Uiso 1 calc . . R .
C90 C 0.8091(4) 0.5526(4) 0.6801(3) 0.0192(15) Uani 1 d . . . .
C91 C 0.8237(4) 0.6449(4) 0.6914(2) 0.0209(15) Uani 1 d . . . .
H91 H 0.8414 0.6713 0.6699 0.025 Uiso 1 calc . . R .
C92 C 0.8768(4) 0.6521(4) 0.7320(2) 0.0230(14) Uani 1 d . . . .
H92A H 0.8596 0.6303 0.7539 0.035 Uiso 1 calc . . GR .
H92B H 0.8894 0.7116 0.7373 0.035 Uiso 1 calc . . GR .
H92C H 0.9151 0.6189 0.7305 0.035 Uiso 1 calc . . GR .
C93 C 0.7642(4) 0.6958(5) 0.6941(3) 0.0278(16) Uani 1 d . . . .
H93A H 0.7304 0.6918 0.6684 0.042 Uiso 1 calc . . GR .
H93B H 0.7766 0.7552 0.6997 0.042 Uiso 1 calc . . GR .
H93C H 0.7472 0.6732 0.7159 0.042 Uiso 1 calc . . GR .
C94 C 0.8154(4) 0.3907(4) 0.5974(2) 0.0235(15) Uani 1 d . . . .
H94 H 0.8445 0.4291 0.5868 0.028 Uiso 1 calc . . R .
C95 C 0.8490(4) 0.3057(5) 0.6059(3) 0.0306(17) Uani 1 d . . . .
H95A H 0.8844 0.3091 0.6308 0.046 Uiso 1 calc . . GR .
H95B H 0.8670 0.2902 0.5833 0.046 Uiso 1 calc . . GR .
H95C H 0.8174 0.2627 0.6089 0.046 Uiso 1 calc . . GR .
C96 C 0.7509(4) 0.3827(6) 0.5646(3) 0.0348(19) Uani 1 d . . . .
H96A H 0.7208 0.3467 0.5745 0.052 Uiso 1 calc . . GR .
H96B H 0.7590 0.3574 0.5403 0.052 Uiso 1 calc . . GR .
H96C H 0.7315 0.4390 0.5581 0.052 Uiso 1 calc . . GR .
C97 C 0.7946(4) 0.8384(4) 0.6120(3) 0.0256(15) Uani 1 d . . . .
H97A H 0.8215 0.7882 0.6213 0.038 Uiso 1 calc . . GR .
H97B H 0.7559 0.8221 0.5906 0.038 Uiso 1 calc . . GR .
H97C H 0.7809 0.8632 0.6347 0.038 Uiso 1 calc . . GR .
C98 C 0.8000(4) 0.9797(4) 0.5880(3) 0.0300(17) Uani 1 d . . . .
H98A H 0.7520 0.9718 0.5800 0.036 Uiso 1 calc . . R .
H98B H 0.8126 1.0056 0.5648 0.036 Uiso 1 calc . . R .
C99 C 0.8180(4) 1.0386(5) 0.6234(3) 0.0355(18) Uani 1 d . . . .
H99A H 0.7897 1.0895 0.6180 0.043 Uiso 1 calc . . R .
H99B H 0.8119 1.0102 0.6478 0.043 Uiso 1 calc . . R .
C100 C 0.9097(5) 1.1149(6) 0.6637(3) 0.043(2) Uani 1 d . . . .
H10A H 0.9077 1.0845 0.6883 0.065 Uiso 1 calc . . GR .
H10B H 0.8836 1.1668 0.6612 0.065 Uiso 1 calc . . GR .
H10C H 0.9552 1.1296 0.6654 0.065 Uiso 1 calc . . GR .
C101 C 0.9068(10) 0.8883(6) 0.7182(5) 0.122(8) Uani 1 d . . . .
H10D H 0.8657 0.9197 0.7135 0.184 Uiso 1 calc . . GR .
H10E H 0.9234 0.8760 0.7472 0.184 Uiso 1 calc . . GR .
H10F H 0.8993 0.8350 0.7030 0.184 Uiso 1 calc . . GR .
C102 C 1.0079(6) 0.9116(6) 0.7251(4) 0.061(3) Uani 1 d . . . .
H102 H 1.0149 0.8579 0.7380 0.074 Uiso 1 calc . . R .
C103 C 1.0608(5) 0.9684(6) 0.7268(3) 0.046(2) Uani 1 d . . . .
H10G H 1.1016 0.9455 0.7447 0.055 Uiso 1 calc . . R .
H10H H 1.0518 1.0241 0.7374 0.055 Uiso 1 calc . . R .
C104 C 1.1094(6) 1.0430(10) 0.6785(3) 0.084(5) Uani 1 d . . . .
H10I H 1.1253 1.0350 0.6543 0.125 Uiso 1 calc . . GR .
H10J H 1.1465 1.0432 0.7026 0.125 Uiso 1 calc . . GR .
H10K H 1.0861 1.0971 0.6765 0.125 Uiso 1 calc . . GR .
C105 C 1.1065(4) 0.8274(5) 0.6159(3) 0.0268(16) Uani 1 d . . . .
H10L H 1.1395 0.8658 0.6322 0.040 Uiso 1 calc . . GR .
H10M H 1.1269 0.7907 0.5997 0.040 Uiso 1 calc . . GR .
H10N H 1.0881 0.7926 0.6339 0.040 Uiso 1 calc . . GR .
C106 C 1.0822(4) 0.9324(4) 0.5661(2) 0.0221(14) Uani 1 d . . . .
H10O H 1.1022 0.9002 0.5476 0.027 Uiso 1 calc . . R .
H10P H 1.1164 0.9682 0.5838 0.027 Uiso 1 calc . . R .
C107 C 1.0271(4) 0.9875(5) 0.5418(2) 0.0254(15) Uani 1 d . . . .
H10Q H 1.0441 1.0281 0.5251 0.030 Uiso 1 calc . . R .
H10R H 0.9936 0.9517 0.5235 0.030 Uiso 1 calc . . R .
C108 C 0.9526(4) 1.0962(5) 0.5482(3) 0.0324(17) Uani 1 d . . . .
H10S H 0.9170 1.0688 0.5280 0.049 Uiso 1 calc . . GR .
H10T H 0.9752 1.1362 0.5347 0.049 Uiso 1 calc . . GR .
H10U H 0.9347 1.1267 0.5678 0.049 Uiso 1 calc . . GR .
Dy3 Dy 0.0647(2) 0.45107(3) 0.39683(13) 0.01213(8) Uani 0.95 d . . . .
Dy3B Dy 0.0696 0.4227 0.3989 0.0053(18) Uiso 0.05 d . . . .
K3 K 0.0641(2) 0.10998(9) 0.36313(14) 0.0184(3) Uani 1 d . . . .
Cl5 Cl 0.0350(2) 0.55661(11) 0.34050(14) 0.0238(3) Uani 1 d . . . .
Cl6 Cl 0.0455(2) 0.30833(10) 0.35875(14) 0.0171(3) Uani 1 d . . . .
O13 O -0.0620(3) 0.1103(3) 0.3665(2) 0.0247(10) Uani 1 d . . . .
O14 O -0.0006(3) -0.0435(3) 0.35192(19) 0.0226(10) Uani 1 d . . . .
O15 O 0.1414(3) 0.0002(3) 0.42662(18) 0.0212(10) Uani 1 d . . . .
O16 O 0.1826(3) 0.1616(3) 0.4088(2) 0.0224(10) Uani 1 d . . . .
O17 O 0.1423(3) 0.0463(3) 0.32134(19) 0.0218(10) Uani 1 d . . . .
O18 O 0.0238(3) 0.1158(3) 0.2798(2) 0.0258(11) Uani 1 d . . . .
N5 N 0.1761(3) 0.4804(4) 0.3967(2) 0.0157(11) Uani 1 d . . . .
N6 N -0.0406(3) 0.4786(3) 0.4083(2) 0.0138(10) Uani 1 d . . . U
C109 C 0.1688(4) 0.3904(4) 0.4646(2) 0.0170(13) Uani 1 d . . . .
C110 C 0.1426(4) 0.4632(4) 0.4785(2) 0.0185(13) Uani 1 d . . . .
H110 H 0.1688 0.5125 0.4856 0.022 Uiso 1 calc . . R .
C111 C 0.0789(4) 0.4631(4) 0.4817(2) 0.0183(13) Uani 1 d . . . .
H111 H 0.0613 0.5125 0.4906 0.022 Uiso 1 calc . . R .
C112 C 0.0394(4) 0.3885(4) 0.4716(2) 0.0160(13) Uani 1 d . . . .
C113 C 0.0669(4) 0.3159(4) 0.4610(2) 0.0166(12) Uani 1 d . . . .
H113 H 0.0422 0.2650 0.4561 0.020 Uiso 1 calc . . R .
C114 C 0.1316(4) 0.3168(4) 0.4573(2) 0.0185(13) Uani 1 d . . . .
H114 H 0.1499 0.2664 0.4497 0.022 Uiso 1 calc . . R .
C115 C 0.2321(4) 0.3956(4) 0.4544(2) 0.0191(13) Uani 1 d . . . .
C116 C 0.2875(4) 0.3536(4) 0.4779(2) 0.0179(13) Uani 1 d . . . .
H116 H 0.2844 0.3212 0.5007 0.022 Uiso 1 calc . . R .
C117 C 0.3461(4) 0.3591(4) 0.4680(2) 0.0216(14) Uani 1 d . . . .
H117 H 0.3835 0.3299 0.4836 0.026 Uiso 1 calc . . R .
C118 C 0.3500(4) 0.4083(4) 0.4346(2) 0.0180(13) Uani 1 d . . . .
H118 H 0.3905 0.4131 0.4278 0.022 Uiso 1 calc . . R .
C119 C 0.2948(4) 0.4502(4) 0.4113(2) 0.0179(14) Uani 1 d . . . .
H119 H 0.2986 0.4840 0.3891 0.022 Uiso 1 calc . . R .
C120 C 0.2335(4) 0.4436(4) 0.4200(2) 0.0178(13) Uani 1 d . . . .
C121 C 0.1884(4) 0.5344(4) 0.3657(2) 0.0125(12) Uani 1 d . . . .
C122 C 0.1906(4) 0.5017(5) 0.3279(2) 0.0204(14) Uani 1 d . . . .
C123 C 0.2057(4) 0.5579(4) 0.3000(2) 0.0186(14) Uani 1 d . . . .
H123 H 0.2071 0.5368 0.2743 0.022 Uiso 1 calc . . R .
C124 C 0.2186(4) 0.6430(4) 0.3085(2) 0.0242(15) Uani 1 d . . . .
H124 H 0.2301 0.6791 0.2893 0.029 Uiso 1 calc . . R .
C125 C 0.2144(4) 0.6741(4) 0.3452(3) 0.0213(14) Uani 1 d . . . .
H125 H 0.2223 0.7326 0.3509 0.026 Uiso 1 calc . . R .
C126 C 0.1990(4) 0.6223(4) 0.3741(2) 0.0169(13) Uani 1 d . . . .
C127 C 0.1935(4) 0.6590(4) 0.4139(3) 0.0209(14) Uani 1 d . . . .
H127 H 0.1609 0.6238 0.4231 0.025 Uiso 1 calc . . R .
C128 C 0.1685(4) 0.7511(4) 0.4104(3) 0.0285(17) Uani 1 d . . . .
H12A H 0.2024 0.7889 0.4057 0.043 Uiso 1 calc . . GR .
H12B H 0.1579 0.7675 0.4356 0.043 Uiso 1 calc . . GR .
H12C H 0.1292 0.7556 0.3878 0.043 Uiso 1 calc . . GR .
C129 C 0.2584(4) 0.6536(5) 0.4471(2) 0.0249(15) Uani 1 d . . . .
H12D H 0.2747 0.5952 0.4490 0.037 Uiso 1 calc . . GR .
H12E H 0.2514 0.6707 0.4731 0.037 Uiso 1 calc . . GR .
H12F H 0.2905 0.6914 0.4402 0.037 Uiso 1 calc . . GR .
C130 C 0.1764(4) 0.4103(5) 0.3172(2) 0.0209(15) Uani 1 d . . . .
H130 H 0.1641 0.3824 0.3404 0.025 Uiso 1 calc . . R .
C131 C 0.1182(4) 0.4022(5) 0.2796(2) 0.0236(14) Uani 1 d . . . .
H13A H 0.0807 0.4334 0.2841 0.035 Uiso 1 calc . . GR .
H13B H 0.1066 0.3424 0.2747 0.035 Uiso 1 calc . . GR .
H13C H 0.1301 0.4258 0.2561 0.035 Uiso 1 calc . . GR .
C132 C 0.2354(4) 0.3632(4) 0.3101(2) 0.0226(14) Uani 1 d . . . .
H13D H 0.2472 0.3879 0.2867 0.034 Uiso 1 calc . . GR .
H13E H 0.2244 0.3032 0.3048 0.034 Uiso 1 calc . . GR .
H13F H 0.2724 0.3683 0.3341 0.034 Uiso 1 calc . . GR .
C133 C -0.0310(4) 0.3941(4) 0.4690(2) 0.0195(14) Uani 1 d . . . .
C134 C -0.0690(4) 0.4430(4) 0.4369(2) 0.0166(13) Uani 1 d . . . .
C135 C -0.1363(4) 0.4503(4) 0.4359(2) 0.0204(14) Uani 1 d . . . .
H135 H -0.1635 0.4856 0.4160 0.024 Uiso 1 calc . . R .
C136 C -0.1631(4) 0.4081(4) 0.4627(2) 0.0220(14) Uani 1 d . . . .
H136 H -0.2082 0.4150 0.4610 0.026 Uiso 1 calc . . R .
C137 C -0.1252(4) 0.3555(4) 0.4922(2) 0.0237(15) Uani 1 d . . . .
H137 H -0.1444 0.3240 0.5098 0.028 Uiso 1 calc . . R .
C138 C -0.0587(4) 0.3497(4) 0.4956(2) 0.0218(14) Uani 1 d . . . .
H138 H -0.0319 0.3152 0.5161 0.026 Uiso 1 calc . . R .
C139 C -0.0850(4) 0.5277(4) 0.3783(2) 0.0139(12) Uani 1 d . . . U
C140 C -0.0871(4) 0.6167(4) 0.3820(2) 0.0198(14) Uani 1 d . . . .
C141 C -0.1279(4) 0.6633(4) 0.3511(2) 0.0219(14) Uani 1 d . . . .
H141 H -0.1289 0.7232 0.3532 0.026 Uiso 1 calc . . R .
C142 C -0.1674(4) 0.6239(4) 0.3170(3) 0.0230(14) Uani 1 d . . . .
H142 H -0.1942 0.6565 0.2957 0.028 Uiso 1 calc . . R .
C143 C -0.1670(4) 0.5360(4) 0.3147(2) 0.0193(14) Uani 1 d . . . .
H143 H -0.1959 0.5092 0.2921 0.023 Uiso 1 calc . . R .
C144 C -0.1267(4) 0.4865(4) 0.3434(2) 0.0166(13) Uani 1 d . . . .
C145 C -0.1282(4) 0.3910(4) 0.3392(2) 0.0192(14) Uani 1 d . . . .
H145 H -0.0946 0.3670 0.3628 0.023 Uiso 1 calc . . R .
C146 C -0.1115(4) 0.3621(4) 0.3006(2) 0.0225(14) Uani 1 d . . . .
H14A H -0.1452 0.3822 0.2770 0.034 Uiso 1 calc . . GR .
H14B H -0.1096 0.3001 0.3001 0.034 Uiso 1 calc . . GR .
H14C H -0.0691 0.3855 0.2998 0.034 Uiso 1 calc . . GR .
C147 C -0.1952(4) 0.3548(4) 0.3399(2) 0.0224(14) Uani 1 d . . . .
H14D H -0.2040 0.3683 0.3659 0.034 Uiso 1 calc . . GR .
H14E H -0.1950 0.2932 0.3365 0.034 Uiso 1 calc . . GR .
H14F H -0.2292 0.3799 0.3179 0.034 Uiso 1 calc . . GR .
C148 C -0.0470(4) 0.6620(4) 0.4192(2) 0.0223(14) Uani 1 d . . . .
H148 H -0.0178 0.6193 0.4367 0.027 Uiso 1 calc . . R .
C149 C -0.0908(4) 0.6999(5) 0.4436(3) 0.0270(16) Uani 1 d . . . .
H14G H -0.1194 0.7427 0.4272 0.040 Uiso 1 calc . . GR .
H14H H -0.0636 0.7264 0.4682 0.040 Uiso 1 calc . . GR .
H14I H -0.1174 0.6551 0.4510 0.040 Uiso 1 calc . . GR .
C150 C -0.0041(4) 0.7308(5) 0.4085(3) 0.0312(17) Uani 1 d . . . .
H15A H 0.0238 0.7060 0.3927 0.047 Uiso 1 calc . . GR .
H15B H 0.0234 0.7559 0.4333 0.047 Uiso 1 calc . . GR .
H15C H -0.0317 0.7748 0.3924 0.047 Uiso 1 calc . . GR .
C151 C -0.0898(4) 0.1634(4) 0.3907(3) 0.0261(15) Uani 1 d . . . .
H15D H -0.0833 0.1382 0.4176 0.039 Uiso 1 calc . . GR .
H15E H -0.1367 0.1698 0.3780 0.039 Uiso 1 calc . . GR .
H15F H -0.0687 0.2191 0.3932 0.039 Uiso 1 calc . . GR .
C152 C -0.0949(4) 0.0295(4) 0.3592(2) 0.0222(14) Uani 1 d . . . .
H15G H -0.1422 0.0384 0.3470 0.027 Uiso 1 calc . . R .
H15H H -0.0895 -0.0010 0.3851 0.027 Uiso 1 calc . . R .
C153 C -0.0671(4) -0.0217(4) 0.3315(2) 0.0215(14) Uani 1 d . . . .
H15I H -0.0933 -0.0738 0.3236 0.026 Uiso 1 calc . . R .
H15J H -0.0683 0.0111 0.3067 0.026 Uiso 1 calc . . R .
C154 C 0.0269(4) -0.0997(4) 0.3285(2) 0.0239(14) Uani 1 d . . . .
H15K H 0.0196 -0.0773 0.3010 0.036 Uiso 1 calc . . GR .
H15L H 0.0062 -0.1554 0.3274 0.036 Uiso 1 calc . . GR .
H15M H 0.0740 -0.1051 0.3409 0.036 Uiso 1 calc . . GR .
C155 C 0.2159(4) 0.2109(4) 0.3845(3) 0.0232(15) Uani 1 d . . . .
H15N H 0.2339 0.1727 0.3676 0.035 Uiso 1 calc . . GR .
H15O H 0.2514 0.2433 0.4023 0.035 Uiso 1 calc . . GR .
H15P H 0.1849 0.2499 0.3671 0.035 Uiso 1 calc . . GR .
C156 C 0.2249(4) 0.1043(4) 0.4351(2) 0.0214(14) Uani 1 d . . . .
H15Q H 0.2588 0.1361 0.4551 0.026 Uiso 1 calc . . R .
H15R H 0.2470 0.0675 0.4194 0.026 Uiso 1 calc . . R .
C157 C 0.1854(4) 0.0505(4) 0.4567(2) 0.0237(15) Uani 1 d . . . .
H15S H 0.2147 0.0135 0.4769 0.028 Uiso 1 calc . . R .
H15T H 0.1606 0.0871 0.4708 0.028 Uiso 1 calc . . R .
C158 C 0.1023(4) -0.0505(4) 0.4454(3) 0.0241(15) Uani 1 d . . . .
H15U H 0.0759 -0.0137 0.4579 0.036 Uiso 1 calc . . GR .
H15V H 0.1306 -0.0861 0.4662 0.036 Uiso 1 calc . . GR .
H15W H 0.0735 -0.0866 0.4250 0.036 Uiso 1 calc . . GR .
C159 C 0.1897(4) -0.0203(5) 0.3339(3) 0.0287(16) Uani 1 d . . . .
H15X H 0.1744 -0.0715 0.3180 0.043 Uiso 1 calc . . GR .
H15Y H 0.1955 -0.0323 0.3627 0.043 Uiso 1 calc . . GR .
H H 0.2315 -0.0024 0.3295 0.043 Uiso 1 calc . . GR .
C160 C 0.1256(4) 0.0571(5) 0.2785(2) 0.0246(14) Uani 1 d . . . .
H16A H 0.1049 0.0047 0.2652 0.030 Uiso 1 calc . . R .
H16B H 0.1658 0.0674 0.2697 0.030 Uiso 1 calc . . R .
C161 C 0.0801(4) 0.1295(5) 0.2661(3) 0.0253(15) Uani 1 d . . . .
H161 H 0.0876 0.1775 0.2512 0.030 Uiso 1 calc . . R .
C162 C -0.0282(4) 0.1713(5) 0.2611(3) 0.0295(16) Uani 1 d . . . .
H16C H -0.0648 0.1629 0.2731 0.044 Uiso 1 calc . . GR .
H16D H -0.0426 0.1590 0.2320 0.044 Uiso 1 calc . . GR .
H16E H -0.0132 0.2301 0.2651 0.044 Uiso 1 calc . . GR .
Dy4 Dy 0.5659(2) 0.95811(3) 0.39357(13) 0.01301(8) Uani 0.95 d . . . .
Dy4B Dy 0.5723 0.9356 0.3931 0.001(2) Uiso 0.05 d . . . .
K4 K 0.5444(2) 0.61945(10) 0.37256(14) 0.0268(3) Uani 1 d . . . .
Cl7 Cl 0.5418(2) 1.06652(11) 0.33812(14) 0.0205(3) Uani 1 d . . . .
Cl8 Cl 0.5562(2) 0.81346(10) 0.35673(14) 0.0188(3) Uani 1 d A . . .
O19 O 0.4621(3) 0.6697(3) 0.4191(2) 0.0261(11) Uani 1 d A . . .
O20 O 0.5228(3) 0.5139(3) 0.4367(2) 0.0301(12) Uani 1 d A . . .
O21 O 0.4291(4) 0.5609(5) 0.3283(3) 0.067(2) Uani 1 d A . . U
O22 O 0.5148(4) 0.6185(4) 0.2880(3) 0.062(2) Uani 1 d A . . .
O23 O 0.5971(6) 0.4673(7) 0.3556(3) 0.110(4) Uani 1 d A . . U
O24A O 0.6709(4) 0.6088(5) 0.3681(3) 0.0191(14) Uani 0.576(12) d A 3 . U
O24B O 0.7080(8) 0.5696(12) 0.4224(6) 0.060(5) Uani 0.424(12) d A 4 . .
N7 N 0.6798(3) 0.9885(3) 0.4017(2) 0.0153(11) Uani 1 d . . . .
N8 N 0.4528(3) 0.9767(4) 0.3929(2) 0.0137(10) Uani 1 d . . . U
C21A C 0.7178(5) 0.6719(7) 0.3923(4) 0.0191(14) Uani 0.60 d A 6 . U
C21B C 0.6791(8) 0.6516(11) 0.4139(5) 0.0191(14) Uani 0.40 d . . . U
C163 C 0.6610(4) 0.9088(4) 0.4688(2) 0.0175(13) Uani 1 d . . . .
C164 C 0.6298(4) 0.9818(4) 0.4779(2) 0.0174(13) Uani 1 d . . . .
H164 H 0.6539 1.0325 0.4859 0.021 Uiso 1 calc . . R .
C165 C 0.5625(4) 0.9793(4) 0.4751(2) 0.0156(12) Uani 1 d . . . .
H165 H 0.5409 1.0287 0.4808 0.019 Uiso 1 calc . . R .
C166 C 0.5272(4) 0.9037(4) 0.4638(2) 0.0189(13) Uani 1 d . . . .
C167 C 0.5596(4) 0.8309(4) 0.4562(2) 0.0167(13) Uani 1 d . . . .
H167 H 0.5363 0.7793 0.4493 0.020 Uiso 1 calc . . R .
C168 C 0.6263(4) 0.8345(4) 0.4587(2) 0.0162(12) Uani 1 d . . . .
H168 H 0.6481 0.7850 0.4535 0.019 Uiso 1 calc . . R .
C169 C 0.7277(4) 0.9180(4) 0.4650(2) 0.0183(13) Uani 1 d . . . .
C170 C 0.7826(4) 0.8860(4) 0.4938(2) 0.0202(13) Uani 1 d . . . .
H170 H 0.7765 0.8562 0.5166 0.024 Uiso 1 calc . . R .
C171 C 0.8447(4) 0.8970(4) 0.4897(3) 0.0259(15) Uani 1 d . . . .
H171 H 0.8812 0.8743 0.5092 0.031 Uiso 1 calc . . R .
C172 C 0.8532(4) 0.9418(4) 0.4566(2) 0.0218(14) Uani 1 d . . . .
H172 H 0.8961 0.9511 0.4539 0.026 Uiso 1 calc . . R .
C173 C 0.7997(4) 0.9733(4) 0.4271(2) 0.0209(14) Uani 1 d . . . .
H173 H 0.8068 1.0031 0.4045 0.025 Uiso 1 calc . . R .
C174 C 0.7357(4) 0.9615(4) 0.4303(2) 0.0170(13) Uani 1 d . . . .
C175 C 0.6944(4) 1.0365(4) 0.3701(2) 0.0126(13) Uani 1 d . . . .
C176 C 0.7067(4) 0.9977(4) 0.3356(2) 0.0176(13) Uani 1 d . . . .
C177 C 0.7187(4) 1.0485(4) 0.3045(2) 0.0186(14) Uani 1 d . . . .
H177 H 0.7270 1.0224 0.2813 0.022 Uiso 1 calc . . R .
C178 C 0.7186(4) 1.1372(5) 0.3073(2) 0.0214(14) Uani 1 d . . . .
H178 H 0.7264 1.1712 0.2862 0.026 Uiso 1 calc . . R .
C179 C 0.7070(4) 1.1739(4) 0.3410(2) 0.0173(13) Uani 1 d . . . .
H179 H 0.7075 1.2339 0.3429 0.021 Uiso 1 calc . . R .
C180 C 0.6945(3) 1.1270(4) 0.3725(2) 0.0125(12) Uani 1 d . . . .
C181 C 0.6841(4) 1.1715(4) 0.4096(2) 0.0207(14) Uani 1 d . . . .
H181 H 0.6561 1.1333 0.4212 0.025 Uiso 1 calc . . R .
C182 C 0.6475(4) 1.2552(4) 0.4000(3) 0.0259(15) Uani 1 d . . . .
H18A H 0.6754 1.2970 0.3916 0.039 Uiso 1 calc . . GR .
H18B H 0.6357 1.2758 0.4241 0.039 Uiso 1 calc . . GR .
H18C H 0.6077 1.2466 0.3780 0.039 Uiso 1 calc . . GR .
C183 C 0.7477(4) 1.1846(5) 0.4428(3) 0.0296(16) Uani 1 d . . . .
H18D H 0.7702 1.1301 0.4494 0.044 Uiso 1 calc . . GR .
H18E H 0.7377 1.2078 0.4670 0.044 Uiso 1 calc . . GR .
H18F H 0.7759 1.2241 0.4332 0.044 Uiso 1 calc . . GR .
C184 C 0.7061(4) 0.9006(4) 0.3313(3) 0.0206(15) Uani 1 d . . . .
H184 H 0.6932 0.8759 0.3550 0.025 Uiso 1 calc . . R .
C185 C 0.6563(4) 0.8714(4) 0.2929(2) 0.0226(14) Uani 1 d . . . .
H18G H 0.6130 0.8933 0.2927 0.034 Uiso 1 calc . . GR .
H18H H 0.6550 0.8094 0.2921 0.034 Uiso 1 calc . . GR .
H18I H 0.6688 0.8929 0.2691 0.034 Uiso 1 calc . . GR .
C186 C 0.7737(4) 0.8676(4) 0.3323(2) 0.0210(13) Uani 1 d . . . .
H18J H 0.7876 0.8914 0.3095 0.032 Uiso 1 calc . . GR .
H18K H 0.7724 0.8057 0.3302 0.032 Uiso 1 calc . . GR .
H18L H 0.8046 0.8845 0.3577 0.032 Uiso 1 calc . . GR .
C187 C 0.4547(4) 0.9047(4) 0.4558(2) 0.0158(13) Uani 1 d . . . .
C188 C 0.4197(4) 0.9429(4) 0.4197(2) 0.0172(13) Uani 1 d . . . .
C189 C 0.3512(4) 0.9456(4) 0.4131(2) 0.0196(14) Uani 1 d . . . .
H189 H 0.3253 0.9736 0.3898 0.024 Uiso 1 calc . . R .
C190 C 0.3209(4) 0.9077(4) 0.4401(2) 0.0181(13) Uani 1 d . . . .
H190 H 0.2746 0.9086 0.4342 0.022 Uiso 1 calc . . R .
C191 C 0.3563(4) 0.8687(4) 0.4753(2) 0.0198(13) Uani 1 d . . . .
H191 H 0.3351 0.8435 0.4936 0.024 Uiso 1 calc . . R .
C192 C 0.4247(4) 0.8679(4) 0.4830(2) 0.0205(14) Uani 1 d . . . .
H192 H 0.4505 0.8420 0.5069 0.025 Uiso 1 calc . . R .
C193 C 0.4107(4) 1.0263(4) 0.3609(2) 0.0169(13) Uani 1 d . . . .
C194 C 0.4040(4) 1.1140(4) 0.3671(2) 0.0170(13) Uani 1 d . . . .
C195 C 0.3609(4) 1.1606(5) 0.3369(2) 0.0262(15) Uani 1 d . . . .
H195 H 0.3562 1.2196 0.3407 0.031 Uiso 1 calc . . R .
C196 C 0.3246(4) 1.1228(5) 0.3013(3) 0.0263(15) Uani 1 d . . . .
H196 H 0.2934 1.1546 0.2819 0.032 Uiso 1 calc . . R .
C197 C 0.3347(4) 1.0382(5) 0.2948(2) 0.0236(15) Uani 1 d . . . .
H197 H 0.3121 1.0132 0.2698 0.028 Uiso 1 calc . . R .
C198 C 0.3778(4) 0.9875(4) 0.3244(2) 0.0204(14) Uani 1 d . . . .
C199 C 0.3875(4) 0.8963(5) 0.3145(3) 0.0258(16) Uani 1 d . . . .
H199 H 0.4218 0.8723 0.3378 0.031 Uiso 1 calc . . R .
C200 C 0.4126(5) 0.8888(6) 0.2771(3) 0.041(2) Uani 1 d . . . .
H20D H 0.3782 0.9058 0.2532 0.062 Uiso 1 calc . . GR .
H20E H 0.4252 0.8299 0.2740 0.062 Uiso 1 calc . . GR .
H20F H 0.4507 0.9257 0.2800 0.062 Uiso 1 calc . . GR .
C201 C 0.3251(4) 0.8432(5) 0.3101(3) 0.0288(16) Uani 1 d . . . .
H20G H 0.3099 0.8490 0.3346 0.043 Uiso 1 calc . . GR .
H20H H 0.3347 0.7835 0.3062 0.043 Uiso 1 calc . . GR .
H20I H 0.2911 0.8633 0.2866 0.043 Uiso 1 calc . . GR .
C202 C 0.4425(4) 1.1575(4) 0.4047(2) 0.0204(14) Uani 1 d . . . .
H202 H 0.4817 1.1220 0.4171 0.024 Uiso 1 calc . . R .
C203 C 0.4005(4) 1.1635(4) 0.4356(3) 0.0243(15) Uani 1 d . . . .
H20J H 0.3612 1.1971 0.4240 0.036 Uiso 1 calc . . GR .
H20K H 0.4260 1.1907 0.4605 0.036 Uiso 1 calc . . GR .
H20L H 0.3877 1.1065 0.4419 0.036 Uiso 1 calc . . GR .
C204 C 0.4657(4) 1.2439(4) 0.3963(3) 0.0267(16) Uani 1 d . . . .
H20M H 0.4868 1.2401 0.3742 0.040 Uiso 1 calc . . GR .
H20N H 0.4971 1.2653 0.4207 0.040 Uiso 1 calc . . GR .
H20O H 0.4283 1.2826 0.3887 0.040 Uiso 1 calc . . GR .
C205 C 0.4085(4) 0.7183(4) 0.3950(3) 0.0248(15) Uani 1 d . . . .
H20P H 0.4251 0.7607 0.3793 0.037 Uiso 1 calc A . GR .
H20Q H 0.3858 0.7468 0.4128 0.037 Uiso 1 calc . . GR .
H20R H 0.3780 0.6805 0.3765 0.037 Uiso 1 calc . . GR .
C206 C 0.4415(4) 0.6094(5) 0.4436(3) 0.0304(17) Uani 1 d . . . .
H20S H 0.4072 0.5728 0.4265 0.036 Uiso 1 calc A . R .
H20T H 0.4225 0.6388 0.4633 0.036 Uiso 1 calc . . R .
C207 C 0.4977(4) 0.5562(5) 0.4656(3) 0.0299(17) Uani 1 d A . . .
H20U H 0.5320 0.5923 0.4830 0.036 Uiso 1 calc . . R .
H20V H 0.4832 0.5145 0.4829 0.036 Uiso 1 calc . . R .
C208 C 0.5729(5) 0.4551(5) 0.4556(3) 0.0373(19) Uani 1 d . . . .
H20W H 0.5895 0.4269 0.4348 0.056 Uiso 1 calc A . GR .
H20X H 0.5548 0.4127 0.4705 0.056 Uiso 1 calc . . GR .
H20Y H 0.6086 0.4854 0.4743 0.056 Uiso 1 calc . . GR .
C209 C 0.3931(8) 0.5084(8) 0.3387(4) 0.080(4) Uani 1 d . . . U
H20Z H 0.3588 0.4821 0.3188 0.096 Uiso 1 calc A . R .
HA H 0.3998 0.4945 0.3664 0.096 Uiso 1 calc . . R .
C210 C 0.4119(6) 0.5740(6) 0.2854(4) 0.072(3) Uani 1 d . . . U
H210 H 0.3757 0.5469 0.2675 0.087 Uiso 1 calc A . R .
C211 C 0.4534(7) 0.6309(10) 0.2719(4) 0.076(3) Uani 1 d A . . U
H211 H 0.4374 0.6743 0.2526 0.091 Uiso 1 calc . . R .
C212 C 0.5534(6) 0.6594(6) 0.2666(3) 0.049(2) Uani 1 d . . . .
H21D H 0.5510 0.7207 0.2702 0.074 Uiso 1 calc A . GR .
H21E H 0.5376 0.6454 0.2378 0.074 Uiso 1 calc . . GR .
H21F H 0.5988 0.6407 0.2768 0.074 Uiso 1 calc . . GR .
C213 C 0.5389(7) 0.4122(9) 0.3261(4) 0.079(4) Uani 1 d . . . .
H21G H 0.5058 0.3987 0.3405 0.119 Uiso 1 calc A . GR .
H21H H 0.5570 0.3596 0.3184 0.119 Uiso 1 calc . . GR .
H21I H 0.5188 0.4451 0.3018 0.119 Uiso 1 calc . . GR .
C214 C 0.6382(6) 0.4699(5) 0.3343(3) 0.048(3) Uani 1 d . . . .
H214 H 0.6370 0.4499 0.3080 0.058 Uiso 1 calc A . R .
C215 C 0.6970(5) 0.5229(6) 0.3708(4) 0.060(3) Uani 1 d A . . U
H21J H 0.7015 0.4985 0.3980 0.072 Uiso 0.576(12) calc A 3 R .
H21K H 0.7400 0.5215 0.3646 0.072 Uiso 0.576(12) calc A 3 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
Dy1 Cl1 2.5290(16) . ?
Dy1 Cl2 2.5538(16) . ?
Dy1 N1 2.411(6) . ?
Dy1 N2 2.395(5) . ?
Dy1 C1 2.903(6) . ?
Dy1 C2 2.858(6) . ?
Dy1 C3 2.855(6) . ?
Dy1 C4 2.913(6) . ?
Dy1 C6 3.021(6) . ?
Dy1B Cl1 2.278(4) . ?
Dy1B Cl2 2.878(2) . ?
Dy1B N1 2.274(7) . ?
Dy1B N2 2.469(7) . ?
Dy1B C1 3.019(7) . ?
Dy1B C2 2.854(8) . ?
Dy1B C3 2.902(7) . ?
K1 Cl2 3.144(2) . ?
K1 O1 2.731(5) . ?
K1 O2 2.774(5) . ?
K1 O3 2.867(5) . ?
K1 O4 2.723(5) . ?
K1 O5 2.685(5) . ?
K1 O6 2.720(6) . ?
O1 C43 1.423(9) . ?
O1 C44 1.417(9) . ?
O2 C45 1.434(9) . ?
O2 C46 1.421(9) . ?
O3 C47 1.431(8) . ?
O3 C48 1.429(8) . ?
O4 C49 1.434(8) . ?
O4 C50 1.428(8) . ?
O5 C51 1.392(9) . ?
O5 C52 1.409(9) . ?
O6 C53 1.414(9) . ?
O6 C54 1.434(8) . ?
N1 C12 1.361(9) . ?
N1 C13 1.445(8) . ?
N2 C30 1.384(9) . ?
N2 C31 1.450(8) . ?
C1 C2 1.410(9) . ?
C1 C6 1.389(9) . ?
C1 C7 1.482(9) . ?
C2 C3 1.411(8) . ?
C3 C4 1.403(9) . ?
C4 C5 1.387(9) . ?
C4 C25 1.474(8) . ?
C5 C6 1.400(9) . ?
C7 C8 1.375(9) . ?
C7 C12 1.441(9) . ?
C8 C9 1.413(9) . ?
C9 C10 1.374(9) . ?
C10 C11 1.377(9) . ?
C11 C12 1.418(9) . ?
C13 C14 1.419(10) . ?
C13 C18 1.417(9) . ?
C14 C15 1.380(10) . ?
C14 C22 1.513(9) . ?
C15 C16 1.372(9) . ?
C16 C17 1.404(10) . ?
C17 C18 1.387(9) . ?
C18 C19 1.533(9) . ?
C19 C20 1.514(9) . ?
C19 C21 1.527(9) . ?
C22 C23 1.543(9) . ?
C22 C24 1.534(9) . ?
C25 C26 1.365(9) . ?
C25 C30 1.429(9) . ?
C26 C27 1.402(9) . ?
C27 C28 1.398(9) . ?
C28 C29 1.382(9) . ?
C29 C30 1.425(9) . ?
C31 C32 1.400(9) . ?
C31 C36 1.410(9) . ?
C32 C33 1.401(10) . ?
C32 C40 1.531(10) . ?
C33 C34 1.373(10) . ?
C34 C35 1.384(10) . ?
C35 C36 1.384(10) . ?
C36 C37 1.514(9) . ?
C37 C38 1.531(10) . ?
C37 C39 1.533(9) . ?
C40 C41 1.556(11) . ?
C40 C42 1.535(9) . ?
C44 C45 1.479(11) . ?
C48 C49 1.492(10) . ?
C52 C53 1.477(11) . ?
Dy2 Cl3 2.5346(16) . ?
Dy2 Cl4 2.5555(16) . ?
Dy2 N3 2.414(6) . ?
Dy2 N4 2.382(5) . ?
Dy2 C55 2.879(6) . ?
Dy2 C56 2.840(6) . ?
Dy2 C57 2.849(7) . ?
Dy2 C58 2.910(6) . ?
Dy2 C59 3.003(6) . ?
Dy2 C60 2.992(6) . ?
Dy2B Cl3 2.241(4) . ?
Dy2B Cl4 2.892(2) . ?
Dy2B N3 2.323(7) . ?
Dy2B N4 2.428(7) . ?
Dy2B C56 2.846(8) . ?
Dy2B C57 2.889(8) . ?
K2 Cl4 3.133(2) . ?
K2 O7 2.744(5) . ?
K2 O8 2.743(5) . ?
K2 O9 2.792(6) . ?
K2 O10 2.641(6) . ?
K2 O11 2.846(5) . ?
K2 O12 2.724(5) . ?
K2 C102 3.262(14) . ?
O7 C97 1.409(8) . ?
O7 C98 1.438(8) . ?
O8 C99 1.426(10) . ?
O8 C100 1.420(10) . ?
O9 C101 1.354(14) . ?
O9 C102 1.267(13) . ?
O10 C103 1.616(12) . ?
O10 C104 1.366(13) . ?
O11 C107 1.431(8) . ?
O11 C108 1.453(9) . ?
O12 C105 1.424(8) . ?
O12 C106 1.422(7) . ?
N3 C66 1.376(8) . ?
N3 C67 1.435(9) . ?
N4 C80 1.381(9) . ?
N4 C85 1.465(8) . ?
C55 C56 1.402(9) . ?
C55 C60 1.396(9) . ?
C55 C61 1.484(9) . ?
C56 C57 1.414(10) . ?
C57 C58 1.410(10) . ?
C58 C59 1.390(9) . ?
C58 C79 1.473(9) . ?
C59 C60 1.386(9) . ?
C61 C62 1.383(9) . ?
C61 C66 1.444(9) . ?
C62 C63 1.370(10) . ?
C63 C64 1.408(10) . ?
C64 C65 1.405(9) . ?
C65 C66 1.434(9) . ?
C67 C68 1.419(9) . ?
C67 C72 1.418(9) . ?
C68 C69 1.396(9) . ?
C68 C76 1.505(8) . ?
C69 C70 1.396(9) . ?
C70 C71 1.392(10) . ?
C71 C72 1.388(9) . ?
C72 C73 1.518(9) . ?
C73 C74 1.536(9) . ?
C73 C75 1.552(9) . ?
C76 C77 1.547(9) . ?
C76 C78 1.512(9) . ?
C79 C80 1.425(9) . ?
C79 C84 1.389(9) . ?
C80 C81 1.406(10) . ?
C81 C82 1.377(10) . ?
C82 C83 1.381(10) . ?
C83 C84 1.384(10) . ?
C85 C86 1.399(10) . ?
C85 C90 1.385(10) . ?
C86 C87 1.384(10) . ?
C86 C94 1.543(9) . ?
C87 C88 1.367(10) . ?
C88 C89 1.368(10) . ?
C89 C90 1.406(10) . ?
C90 C91 1.518(10) . ?
C91 C92 1.547(10) . ?
C91 C93 1.519(9) . ?
C94 C95 1.510(10) . ?
C94 C96 1.530(11) . ?
C98 C99 1.495(11) . ?
C102 C103 1.425(13) . ?
C106 C107 1.518(10) . ?
Dy3 Cl5 2.5012(17) . ?
Dy3 Cl6 2.5816(16) . ?
Dy3 N5 2.411(5) . ?
Dy3 N6 2.410(5) . ?
Dy3 C109 2.911(6) . ?
Dy3 C110 2.855(7) . ?
Dy3 C111 2.850(6) . ?
Dy3 C112 2.925(6) . ?
Dy3B Cl5 2.870(3) . ?
Dy3B Cl6 2.245(3) . ?
Dy3B N5 2.458(7) . ?
Dy3B N6 2.599(7) . ?
Dy3B C109 2.693(7) . ?
Dy3B C110 2.830(8) . ?
Dy3B C111 2.863(8) . ?
Dy3B C112 2.784(7) . ?
Dy3B C113 2.726(7) . ?
Dy3B C114 2.671(7) . ?
K3 Cl6 3.154(2) . ?
K3 O13 2.711(5) . ?
K3 O14 2.762(5) . ?
K3 O15 2.923(5) . ?
K3 O16 2.712(5) . ?
K3 O17 2.658(5) . ?
K3 O18 2.756(5) . ?
O13 C151 1.413(8) . ?
O13 C152 1.444(8) . ?
O14 C153 1.442(8) . ?
O14 C154 1.422(8) . ?
O15 C157 1.434(8) . ?
O15 C158 1.423(8) . ?
O16 C155 1.453(8) . ?
O16 C156 1.418(8) . ?
O17 C159 1.440(9) . ?
O17 C160 1.426(8) . ?
O18 C161 1.411(8) . ?
O18 C162 1.424(9) . ?
N5 C120 1.394(9) . ?
N5 C121 1.437(8) . ?
N6 C134 1.397(8) . ?
N6 C139 1.427(8) . ?
C109 C110 1.413(9) . ?
C109 C114 1.390(9) . ?
C109 C115 1.478(9) . ?
C110 C111 1.387(9) . ?
C111 C112 1.433(9) . ?
C112 C113 1.377(9) . ?
C112 C133 1.476(9) . ?
C113 C114 1.411(9) . ?
C115 C116 1.403(9) . ?
C115 C120 1.408(9) . ?
C116 C117 1.375(9) . ?
C117 C118 1.403(9) . ?
C118 C119 1.398(9) . ?
C119 C120 1.415(9) . ?
C121 C122 1.405(10) . ?
C121 C126 1.424(8) . ?
C122 C123 1.401(9) . ?
C122 C130 1.499(10) . ?
C123 C124 1.387(10) . ?
C124 C125 1.374(10) . ?
C125 C126 1.388(9) . ?
C126 C127 1.515(9) . ?
C127 C128 1.542(9) . ?
C127 C129 1.539(10) . ?
C130 C131 1.537(9) . ?
C130 C132 1.532(9) . ?
C133 C134 1.410(10) . ?
C133 C138 1.396(9) . ?
C134 C135 1.423(10) . ?
C135 C136 1.373(9) . ?
C136 C137 1.390(10) . ?
C137 C138 1.388(10) . ?
C139 C140 1.413(9) . ?
C139 C144 1.441(9) . ?
C140 C141 1.389(9) . ?
C140 C148 1.512(10) . ?
C141 C142 1.391(10) . ?
C142 C143 1.390(9) . ?
C143 C144 1.367(9) . ?
C144 C145 1.513(9) . ?
C145 C146 1.528(9) . ?
C145 C147 1.539(9) . ?
C148 C149 1.526(9) . ?
C148 C150 1.525(10) . ?
C152 C153 1.480(9) . ?
C156 C157 1.517(9) . ?
C160 C161 1.485(10) . ?
Dy4 Cl7 2.5071(16) . ?
Dy4 Cl8 2.5905(16) . ?
Dy4 N7 2.409(6) . ?
Dy4 N8 2.412(5) . ?
Dy4 C163 2.929(6) . ?
Dy4 C164 2.874(6) . ?
Dy4 C165 2.832(6) . ?
Dy4 C166 2.872(6) . ?
Dy4 C167 2.968(6) . ?
Dy4 C168 2.987(6) . ?
Dy4B Cl7 2.756(3) . ?
Dy4B Cl8 2.272(3) . ?
Dy4B N7 2.375(7) . ?
Dy4B N8 2.617(7) . ?
Dy4B C163 2.805(7) . ?
Dy4B C164 2.930(7) . ?
Dy4B C165 2.952(7) . ?
Dy4B C166 2.875(8) . ?
Dy4B C167 2.790(7) . ?
Dy4B C168 2.748(7) . ?
K4 Cl8 3.132(2) . ?
K4 O19 2.773(5) . ?
K4 O20 2.888(5) . ?
K4 O21 2.680(7) . ?
K4 O22 2.799(8) . ?
K4 O23 2.776(9) . ?
K4 O24A 2.736(7) . ?
O19 C205 1.438(8) . ?
O19 C206 1.413(9) . ?
O20 C207 1.409(8) . ?
O20 C208 1.432(9) . ?
O21 C209 1.241(15) . ?
O21 C210 1.432(14) . ?
O22 C211 1.289(14) . ?
O22 C212 1.393(12) . ?
O23 C213 1.626(17) . ?
O23 C214 1.276(12) . ?
O24A C21A 1.496(13) . ?
O24A C215 1.458(11) . ?
O24B C21B 1.43(2) . ?
O24B C215 1.87(2) . ?
N7 C174 1.392(8) . ?
N7 C175 1.421(8) . ?
N8 C188 1.401(8) . ?
N8 C193 1.448(9) . ?
C21A C21B 1.281(19) . ?
C163 C164 1.406(9) . ?
C163 C168 1.379(9) . ?
C163 C169 1.462(9) . ?
C164 C165 1.405(9) . ?
C165 C166 1.408(9) . ?
C166 C167 1.399(9) . ?
C166 C187 1.490(9) . ?
C167 C168 1.396(9) . ?
C169 C170 1.405(9) . ?
C169 C174 1.422(9) . ?
C170 C171 1.373(10) . ?
C171 C172 1.389(10) . ?
C172 C173 1.397(10) . ?
C173 C174 1.405(9) . ?
C175 C176 1.415(9) . ?
C175 C180 1.430(8) . ?
C176 C177 1.411(9) . ?
C176 C184 1.539(9) . ?
C177 C178 1.403(10) . ?
C178 C179 1.371(9) . ?
C179 C180 1.393(9) . ?
C180 C181 1.519(9) . ?
C181 C182 1.525(9) . ?
C181 C183 1.531(10) . ?
C184 C185 1.526(10) . ?
C184 C186 1.518(9) . ?
C187 C188 1.400(9) . ?
C187 C192 1.385(9) . ?
C188 C189 1.413(9) . ?
C189 C190 1.395(9) . ?
C190 C191 1.385(9) . ?
C191 C192 1.406(10) . ?
C193 C194 1.413(9) . ?
C193 C198 1.402(9) . ?
C194 C195 1.397(10) . ?
C194 C202 1.498(9) . ?
C195 C196 1.392(10) . ?
C196 C197 1.378(10) . ?
C197 C198 1.419(10) . ?
C198 C199 1.505(10) . ?
C199 C200 1.517(10) . ?
C199 C201 1.540(10) . ?
C202 C203 1.556(9) . ?
C202 C204 1.504(9) . ?
C206 C207 1.491(10) . ?
C210 C211 1.419(17) . ?
C214 C215 1.731(15) . ?

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
Cl1 Dy1 Cl2 102.30(5) . . ?
Cl1 Dy1 C1 145.21(14) . . ?
Cl1 Dy1 C2 132.03(14) . . ?
Cl1 Dy1 C3 132.26(14) . . ?
Cl1 Dy1 C4 145.47(13) . . ?
Cl1 Dy1 C6 166.31(12) . . ?
Cl2 Dy1 C1 96.38(13) . . ?
Cl2 Dy1 C2 122.53(13) . . ?
Cl2 Dy1 C3 122.83(14) . . ?
Cl2 Dy1 C4 97.17(13) . . ?
Cl2 Dy1 C6 74.37(13) . . ?
N1 Dy1 Cl1 86.53(14) . . ?
N1 Dy1 Cl2 100.36(14) . . ?
N1 Dy1 C1 61.19(19) . . ?
N1 Dy1 C2 70.58(18) . . ?
N1 Dy1 C3 98.78(18) . . ?
N1 Dy1 C4 117.76(18) . . ?
N1 Dy1 C6 81.12(18) . . ?
N2 Dy1 Cl1 86.83(14) . . ?
N2 Dy1 Cl2 100.60(14) . . ?
N2 Dy1 N1 158.92(18) . . ?
N2 Dy1 C1 118.36(19) . . ?
N2 Dy1 C2 99.68(18) . . ?
N2 Dy1 C3 71.45(18) . . ?
N2 Dy1 C4 61.53(18) . . ?
N2 Dy1 C6 106.79(18) . . ?
C1 Dy1 C4 57.77(18) . . ?
C1 Dy1 C6 27.03(18) . . ?
C2 Dy1 C1 28.32(17) . . ?
C2 Dy1 C4 50.02(17) . . ?
C2 Dy1 C6 48.32(17) . . ?
C3 Dy1 C1 50.03(18) . . ?
C3 Dy1 C2 28.60(17) . . ?
C3 Dy1 C4 28.13(17) . . ?
C3 Dy1 C6 56.29(18) . . ?
C4 Dy1 C6 47.75(16) . . ?
Cl1 Dy1B Cl2 99.64(14) . . ?
Cl1 Dy1B N2 90.9(2) . . ?
Cl1 Dy1B C1 156.1(2) . . ?
Cl1 Dy1B C2 147.03(16) . . ?
Cl1 Dy1B C3 143.63(17) . . ?
Cl2 Dy1B C1 87.38(14) . . ?
Cl2 Dy1B C3 110.60(15) . . ?
N1 Dy1B Cl1 96.2(2) . . ?
N1 Dy1B Cl2 94.82(17) . . ?
N1 Dy1B N2 170.3(3) . . ?
N1 Dy1B C1 60.4(2) . . ?
N1 Dy1B C2 72.4(2) . . ?
N1 Dy1B C3 100.8(2) . . ?
N2 Dy1B Cl2 90.54(17) . . ?
N2 Dy1B C1 111.9(2) . . ?
N2 Dy1B C2 98.0(2) . . ?
N2 Dy1B C3 69.7(2) . . ?
C2 Dy1B Cl2 111.86(15) . . ?
C2 Dy1B C1 27.60(18) . . ?
C2 Dy1B C3 28.37(18) . . ?
C3 Dy1B C1 48.53(19) . . ?
O1 K1 Cl2 79.02(11) . . ?
O1 K1 O2 62.95(15) . . ?
O1 K1 O3 114.67(15) . . ?
O2 K1 Cl2 137.93(12) . . ?
O2 K1 O3 78.18(15) . . ?
O3 K1 Cl2 137.70(11) . . ?
O4 K1 Cl2 81.11(11) . . ?
O4 K1 O1 135.76(15) . . ?
O4 K1 O2 139.01(15) . . ?
O4 K1 O3 60.93(14) . . ?
O5 K1 Cl2 112.28(12) . . ?
O5 K1 O1 146.70(16) . . ?
O5 K1 O2 92.81(16) . . ?
O5 K1 O3 78.87(14) . . ?
O5 K1 O4 77.53(15) . . ?
O5 K1 O6 62.74(15) . . ?
O6 K1 Cl2 79.64(12) . . ?
O6 K1 O1 90.47(15) . . ?
O6 K1 O2 83.20(16) . . ?
O6 K1 O3 136.19(15) . . ?
O6 K1 O4 124.06(16) . . ?
Dy1B Cl1 Dy1 7.16(7) . . ?
Dy1 Cl2 Dy1B 4.62(8) . . ?
Dy1 Cl2 K1 143.44(6) . . ?
Dy1B Cl2 K1 147.58(10) . . ?
C43 O1 K1 126.0(4) . . ?
C44 O1 K1 114.4(4) . . ?
C44 O1 C43 112.5(6) . . ?
C45 O2 K1 106.2(4) . . ?
C46 O2 K1 105.5(4) . . ?
C46 O2 C45 112.5(6) . . ?
C47 O3 K1 114.2(4) . . ?
C48 O3 K1 110.0(4) . . ?
C48 O3 C47 110.9(5) . . ?
C49 O4 K1 118.2(4) . . ?
C50 O4 K1 112.5(4) . . ?
C50 O4 C49 112.1(5) . . ?
C51 O5 K1 130.2(4) . . ?
C51 O5 C52 113.0(6) . . ?
C52 O5 K1 114.0(4) . . ?
C53 O6 K1 101.4(4) . . ?
C53 O6 C54 111.2(6) . . ?
C54 O6 K1 118.2(4) . . ?
Dy1B N1 Dy1 8.96(3) . . ?
C12 N1 Dy1 130.4(4) . . ?
C12 N1 Dy1B 136.7(5) . . ?
C12 N1 C13 110.5(5) . . ?
C13 N1 Dy1 118.8(4) . . ?
C13 N1 Dy1B 112.8(4) . . ?
Dy1 N2 Dy1B 9.05(3) . . ?
C30 N2 Dy1 130.1(4) . . ?
C30 N2 Dy1B 136.1(4) . . ?
C30 N2 C31 111.4(5) . . ?
C31 N2 Dy1 118.2(4) . . ?
C31 N2 Dy1B 112.5(4) . . ?
Dy1 C1 Dy1B 7.23(5) . . ?
C2 C1 Dy1 74.1(4) . . ?
C2 C1 Dy1B 69.7(4) . . ?
C2 C1 C7 120.5(6) . . ?
C6 C1 Dy1 81.2(4) . . ?
C6 C1 Dy1B 88.4(4) . . ?
C6 C1 C2 118.9(6) . . ?
C6 C1 C7 120.4(6) . . ?
C7 C1 Dy1 111.1(4) . . ?
C7 C1 Dy1B 107.9(4) . . ?
Dy1B C2 Dy1 7.84(3) . . ?
C1 C2 Dy1 77.6(4) . . ?
C1 C2 Dy1B 82.7(4) . . ?
C1 C2 C3 119.4(6) . . ?
C3 C2 Dy1 75.6(4) . . ?
C3 C2 Dy1B 77.7(4) . . ?
Dy1 C3 Dy1B 7.73(3) . . ?
C2 C3 Dy1 75.8(4) . . ?
C2 C3 Dy1B 73.9(4) . . ?
C4 C3 Dy1 78.2(4) . . ?
C4 C3 Dy1B 85.5(4) . . ?
C4 C3 C2 120.3(6) . . ?
C3 C4 Dy1 73.6(4) . . ?
C3 C4 C25 120.8(6) . . ?
C5 C4 Dy1 81.3(4) . . ?
C5 C4 C3 120.1(6) . . ?
C5 C4 C25 118.8(6) . . ?
C25 C4 Dy1 110.4(4) . . ?
C4 C5 C6 119.3(6) . . ?
C1 C6 Dy1 71.8(3) . . ?
C1 C6 C5 121.8(6) . . ?
C5 C6 Dy1 77.1(3) . . ?
C8 C7 C1 121.7(6) . . ?
C8 C7 C12 124.0(6) . . ?
C12 C7 C1 114.3(5) . . ?
C7 C8 C9 120.1(6) . . ?
C10 C9 C8 118.0(6) . . ?
C9 C10 C11 121.3(6) . . ?
C10 C11 C12 124.2(7) . . ?
N1 C12 C7 119.9(6) . . ?
N1 C12 C11 127.6(6) . . ?
C11 C12 C7 112.3(6) . . ?
C14 C13 N1 121.6(6) . . ?
C18 C13 N1 119.5(6) . . ?
C18 C13 C14 118.8(6) . . ?
C13 C14 C22 121.5(6) . . ?
C15 C14 C13 119.4(6) . . ?
C15 C14 C22 119.2(6) . . ?
C16 C15 C14 122.3(6) . . ?
C15 C16 C17 118.9(6) . . ?
C18 C17 C16 120.9(6) . . ?
C13 C18 C19 122.5(6) . . ?
C17 C18 C13 119.7(6) . . ?
C17 C18 C19 117.8(6) . . ?
C20 C19 C18 112.1(6) . . ?
C20 C19 C21 111.0(6) . . ?
C21 C19 C18 110.6(5) . . ?
C14 C22 C23 111.5(5) . . ?
C14 C22 C24 111.8(6) . . ?
C24 C22 C23 110.1(6) . . ?
C26 C25 C4 122.6(6) . . ?
C26 C25 C30 121.6(6) . . ?
C30 C25 C4 115.7(6) . . ?
C25 C26 C27 122.7(6) . . ?
C28 C27 C26 116.4(6) . . ?
C29 C28 C27 122.4(6) . . ?
C28 C29 C30 121.3(6) . . ?
N2 C30 C25 119.4(6) . . ?
N2 C30 C29 124.9(6) . . ?
C29 C30 C25 115.6(6) . . ?
C32 C31 N2 119.3(6) . . ?
C32 C31 C36 120.2(6) . . ?
C36 C31 N2 120.5(6) . . ?
C31 C32 C40 120.7(6) . . ?
C33 C32 C31 118.9(6) . . ?
C33 C32 C40 120.4(7) . . ?
C34 C33 C32 121.1(7) . . ?
C33 C34 C35 119.3(7) . . ?
C34 C35 C36 121.9(7) . . ?
C31 C36 C37 122.0(6) . . ?
C35 C36 C31 118.5(6) . . ?
C35 C36 C37 119.5(6) . . ?
C36 C37 C38 110.0(6) . . ?
C36 C37 C39 113.7(6) . . ?
C38 C37 C39 109.9(6) . . ?
C32 C40 C41 112.2(6) . . ?
C32 C40 C42 112.8(6) . . ?
C42 C40 C41 109.7(6) . . ?
O1 C44 C45 110.6(7) . . ?
O2 C45 C44 109.1(6) . . ?
O3 C48 C49 109.3(5) . . ?
O4 C49 C48 109.4(6) . . ?
O5 C52 C53 112.7(6) . . ?
O6 C53 C52 108.2(6) . . ?
Cl3 Dy2 Cl4 105.55(5) . . ?
Cl3 Dy2 C55 142.42(13) . . ?
Cl3 Dy2 C56 126.99(15) . . ?
Cl3 Dy2 C57 127.09(15) . . ?
Cl3 Dy2 C58 142.20(14) . . ?
Cl3 Dy2 C59 166.22(13) . . ?
Cl3 Dy2 C60 166.96(13) . . ?
Cl4 Dy2 C55 98.47(14) . . ?
Cl4 Dy2 C56 124.76(15) . . ?
Cl4 Dy2 C57 124.65(15) . . ?
Cl4 Dy2 C58 98.51(14) . . ?
Cl4 Dy2 C59 76.01(13) . . ?
Cl4 Dy2 C60 75.96(13) . . ?
N3 Dy2 Cl3 85.57(14) . . ?
N3 Dy2 Cl4 97.99(14) . . ?
N3 Dy2 C55 62.50(19) . . ?
N3 Dy2 C56 73.0(2) . . ?
N3 Dy2 C57 101.53(19) . . ?
N3 Dy2 C58 119.75(19) . . ?
N3 Dy2 C59 107.92(18) . . ?
N3 Dy2 C60 81.40(19) . . ?
N4 Dy2 Cl3 86.17(14) . . ?
N4 Dy2 Cl4 98.83(14) . . ?
N4 Dy2 N3 162.73(18) . . ?
N4 Dy2 C55 118.48(18) . . ?
N4 Dy2 C56 100.29(19) . . ?
N4 Dy2 C57 71.81(19) . . ?
N4 Dy2 C58 61.32(18) . . ?
N4 Dy2 C59 80.08(18) . . ?
N4 Dy2 C60 106.53(18) . . ?
C55 Dy2 C58 57.92(18) . . ?
C55 Dy2 C59 48.52(17) . . ?
C55 Dy2 C60 27.42(17) . . ?
C56 Dy2 C55 28.36(19) . . ?
C56 Dy2 C57 28.79(19) . . ?
C56 Dy2 C58 50.35(19) . . ?
C56 Dy2 C59 57.32(19) . . ?
C56 Dy2 C60 48.97(19) . . ?
C57 Dy2 C55 50.15(19) . . ?
C57 Dy2 C58 28.31(19) . . ?
C57 Dy2 C59 48.75(19) . . ?
C57 Dy2 C60 56.90(19) . . ?
C58 Dy2 C59 27.13(18) . . ?
C58 Dy2 C60 48.11(18) . . ?
C60 Dy2 C59 26.73(18) . . ?
Cl3 Dy2B Cl4 103.57(15) . . ?
Cl3 Dy2B N3 94.9(2) . . ?
Cl3 Dy2B N4 92.0(2) . . ?
Cl3 Dy2B C56 141.86(17) . . ?
Cl3 Dy2B C57 139.74(17) . . ?
Cl4 Dy2B C57 111.82(17) . . ?
N3 Dy2B Cl4 91.32(17) . . ?
N3 Dy2B N4 172.8(3) . . ?
N3 Dy2B C56 74.1(2) . . ?
N3 Dy2B C57 102.7(2) . . ?
N4 Dy2B Cl4 89.25(17) . . ?
N4 Dy2B C56 99.0(2) . . ?
N4 Dy2B C57 70.5(2) . . ?
C56 Dy2B Cl4 112.92(17) . . ?
C56 Dy2B C57 28.5(2) . . ?
Cl4 K2 C102 68.71(16) . . ?
O7 K2 Cl4 82.98(11) . . ?
O7 K2 O9 91.8(2) . . ?
O7 K2 O11 105.34(15) . . ?
O7 K2 C102 111.6(2) . . ?
O8 K2 Cl4 133.03(15) . . ?
O8 K2 O7 64.59(15) . . ?
O8 K2 O9 73.3(2) . . ?
O8 K2 O11 80.24(17) . . ?
O8 K2 C102 91.8(2) . . ?
O9 K2 Cl4 74.84(14) . . ?
O9 K2 O11 138.35(17) . . ?
O9 K2 C102 22.5(2) . . ?
O10 K2 Cl4 98.84(18) . . ?
O10 K2 O7 154.3(2) . . ?
O10 K2 O8 97.55(18) . . ?
O10 K2 O9 64.5(2) . . ?
O10 K2 O11 88.4(2) . . ?
O10 K2 O12 80.6(2) . . ?
O10 K2 C102 47.7(3) . . ?
O11 K2 Cl4 143.69(11) . . ?
O11 K2 C102 134.1(2) . . ?
O12 K2 Cl4 86.49(11) . . ?
O12 K2 O7 124.98(16) . . ?
O12 K2 O8 139.68(18) . . ?
O12 K2 O9 136.5(2) . . ?
O12 K2 O11 59.48(14) . . ?
O12 K2 C102 114.1(2) . . ?
Dy2B Cl3 Dy2 6.72(7) . . ?
Dy2 Cl4 Dy2B 4.76(8) . . ?
Dy2 Cl4 K2 135.16(6) . . ?
Dy2B Cl4 K2 139.52(10) . . ?
C97 O7 K2 124.8(4) . . ?
C97 O7 C98 114.2(5) . . ?
C98 O7 K2 107.8(4) . . ?
C99 O8 K2 111.8(4) . . ?
C100 O8 K2 113.0(5) . . ?
C100 O8 C99 114.6(6) . . ?
C101 O9 K2 121.4(8) . . ?
C102 O9 K2 100.1(7) . . ?
C102 O9 C101 108.5(10) . . ?
C103 O10 K2 112.0(5) . . ?
C104 O10 K2 128.9(7) . . ?
C104 O10 C103 111.5(7) . . ?
C107 O11 K2 113.3(4) . . ?
C107 O11 C108 111.4(5) . . ?
C108 O11 K2 119.1(4) . . ?
C105 O12 K2 112.6(4) . . ?
C106 O12 K2 121.8(4) . . ?
C106 O12 C105 110.5(5) . . ?
Dy2B N3 Dy2 9.57(3) . . ?
C66 N3 Dy2 128.6(4) . . ?
C66 N3 Dy2B 134.8(5) . . ?
C66 N3 C67 112.4(5) . . ?
C67 N3 Dy2 118.9(4) . . ?
C67 N3 Dy2B 112.7(4) . . ?
Dy2 N4 Dy2B 9.61(3) . . ?
C80 N4 Dy2 131.1(4) . . ?
C80 N4 Dy2B 137.2(4) . . ?
C80 N4 C85 110.0(5) . . ?
C85 N4 Dy2 118.9(4) . . ?
C85 N4 Dy2B 112.2(4) . . ?
C56 C55 Dy2 74.3(3) . . ?
C56 C55 C61 120.9(6) . . ?
C60 C55 Dy2 80.8(3) . . ?
C60 C55 C56 119.9(6) . . ?
C60 C55 C61 119.1(6) . . ?
C61 C55 Dy2 111.2(4) . . ?
Dy2 C56 Dy2B 8.17(3) . . ?
C55 C56 Dy2 77.4(4) . . ?
C55 C56 Dy2B 83.3(4) . . ?
C55 C56 C57 119.1(6) . . ?
C57 C56 Dy2 75.9(4) . . ?
C57 C56 Dy2B 77.4(4) . . ?
Dy2 C57 Dy2B 8.06(2) . . ?
C56 C57 Dy2 75.3(4) . . ?
C56 C57 Dy2B 74.0(4) . . ?
C58 C57 Dy2 78.3(4) . . ?
C58 C57 Dy2B 85.5(4) . . ?
C58 C57 C56 120.1(6) . . ?
C57 C58 Dy2 73.4(4) . . ?
C57 C58 C79 118.9(6) . . ?
C59 C58 Dy2 80.1(4) . . ?
C59 C58 C57 119.6(6) . . ?
C59 C58 C79 121.1(6) . . ?
C79 C58 Dy2 111.1(4) . . ?
C58 C59 Dy2 72.7(4) . . ?
C60 C59 Dy2 76.2(4) . . ?
C60 C59 C58 120.3(6) . . ?
C55 C60 Dy2 71.8(3) . . ?
C59 C60 Dy2 77.1(4) . . ?
C59 C60 C55 120.9(6) . . ?
C62 C61 C55 122.2(6) . . ?
C62 C61 C66 122.8(6) . . ?
C66 C61 C55 115.0(5) . . ?
C63 C62 C61 121.7(7) . . ?
C62 C63 C64 118.4(6) . . ?
C65 C64 C63 121.3(6) . . ?
C64 C65 C66 121.4(6) . . ?
N3 C66 C61 120.6(6) . . ?
N3 C66 C65 125.0(6) . . ?
C65 C66 C61 114.4(6) . . ?
C68 C67 N3 122.0(6) . . ?
C72 C67 N3 118.8(6) . . ?
C72 C67 C68 119.2(6) . . ?
C67 C68 C76 121.8(6) . . ?
C69 C68 C67 119.0(6) . . ?
C69 C68 C76 119.2(6) . . ?
C70 C69 C68 121.7(6) . . ?
C71 C70 C69 118.8(6) . . ?
C72 C71 C70 121.5(6) . . ?
C67 C72 C73 120.4(6) . . ?
C71 C72 C67 119.7(6) . . ?
C71 C72 C73 119.9(6) . . ?
C72 C73 C74 111.2(5) . . ?
C72 C73 C75 113.3(6) . . ?
C74 C73 C75 110.3(6) . . ?
C68 C76 C77 110.4(5) . . ?
C68 C76 C78 112.7(5) . . ?
C78 C76 C77 110.5(6) . . ?
C80 C79 C58 115.4(6) . . ?
C84 C79 C58 122.0(6) . . ?
C84 C79 C80 122.6(6) . . ?
N4 C80 C79 119.4(6) . . ?
N4 C80 C81 126.8(6) . . ?
C81 C80 C79 113.8(6) . . ?
C82 C81 C80 124.0(7) . . ?
C81 C82 C83 120.1(7) . . ?
C82 C83 C84 119.0(7) . . ?
C83 C84 C79 120.4(6) . . ?
C86 C85 N4 118.3(6) . . ?
C90 C85 N4 120.9(6) . . ?
C90 C85 C86 120.9(6) . . ?
C85 C86 C94 121.9(6) . . ?
C87 C86 C85 118.8(6) . . ?
C87 C86 C94 119.3(7) . . ?
C88 C87 C86 121.5(7) . . ?
C87 C88 C89 119.3(7) . . ?
C88 C89 C90 121.7(6) . . ?
C85 C90 C89 117.7(6) . . ?
C85 C90 C91 122.8(6) . . ?
C89 C90 C91 119.4(6) . . ?
C90 C91 C92 110.5(6) . . ?
C93 C91 C90 113.9(6) . . ?
C93 C91 C92 109.1(6) . . ?
C95 C94 C86 112.2(6) . . ?
C95 C94 C96 110.7(6) . . ?
C96 C94 C86 110.9(6) . . ?
O7 C98 C99 112.5(6) . . ?
O8 C99 C98 108.4(6) . . ?
O9 C102 K2 57.4(6) . . ?
O9 C102 C103 117.7(9) . . ?
C103 C102 K2 90.7(7) . . ?
C102 C103 O10 107.3(8) . . ?
O12 C106 C107 108.1(5) . . ?
O11 C107 C106 108.9(5) . . ?
Cl5 Dy3 Cl6 102.55(5) . . ?
Cl5 Dy3 C109 144.92(14) . . ?
Cl5 Dy3 C110 132.39(14) . . ?
Cl5 Dy3 C111 132.86(14) . . ?
Cl5 Dy3 C112 146.45(13) . . ?
Cl6 Dy3 C109 95.82(13) . . ?
Cl6 Dy3 C110 121.82(13) . . ?
Cl6 Dy3 C111 122.25(13) . . ?
Cl6 Dy3 C112 96.11(13) . . ?
N5 Dy3 Cl5 85.32(13) . . ?
N5 Dy3 Cl6 101.03(14) . . ?
N5 Dy3 C109 61.77(18) . . ?
N5 Dy3 C110 71.02(19) . . ?
N5 Dy3 C111 98.66(18) . . ?
N5 Dy3 C112 118.30(18) . . ?
N6 Dy3 Cl5 87.12(13) . . ?
N6 Dy3 Cl6 102.09(13) . . ?
N6 Dy3 N5 156.73(18) . . ?
N6 Dy3 C109 118.06(18) . . ?
N6 Dy3 C110 98.63(19) . . ?
N6 Dy3 C111 70.95(18) . . ?
N6 Dy3 C112 61.63(18) . . ?
C109 Dy3 C112 57.78(18) . . ?
C110 Dy3 C109 28.35(18) . . ?
C110 Dy3 C112 50.02(18) . . ?
C111 Dy3 C109 49.84(18) . . ?
C111 Dy3 C110 28.14(19) . . ?
C111 Dy3 C112 28.70(17) . . ?
Cl6 Dy3B Cl5 100.96(16) . . ?
Cl6 Dy3B N5 110.0(2) . . ?
Cl6 Dy3B N6 106.35(19) . . ?
Cl6 Dy3B C109 111.18(16) . . ?
Cl6 Dy3B C110 138.60(17) . . ?
Cl6 Dy3B C111 136.94(18) . . ?
Cl6 Dy3B C112 108.83(16) . . ?
Cl6 Dy3B C113 86.13(15) . . ?
Cl6 Dy3B C114 86.74(15) . . ?
N5 Dy3B Cl5 76.93(16) . . ?
N5 Dy3B N6 138.06(17) . . ?
N5 Dy3B C109 64.8(2) . . ?
N5 Dy3B C110 70.8(2) . . ?
N5 Dy3B C111 97.2(2) . . ?
N5 Dy3B C112 122.1(2) . . ?
N5 Dy3B C113 117.5(2) . . ?
N5 Dy3B C114 88.9(2) . . ?
N6 Dy3B Cl5 76.31(14) . . ?
N6 Dy3B C109 119.4(2) . . ?
N6 Dy3B C110 94.9(2) . . ?
N6 Dy3B C111 68.3(2) . . ?
N6 Dy3B C112 61.8(2) . . ?
N6 Dy3B C113 84.7(2) . . ?
N6 Dy3B C114 113.6(2) . . ?
C109 Dy3B Cl5 136.20(18) . . ?
C109 Dy3B C110 29.51(19) . . ?
C109 Dy3B C111 51.7(2) . . ?
C109 Dy3B C112 61.9(2) . . ?
C109 Dy3B C113 53.4(2) . . ?
C110 Dy3B Cl5 118.64(14) . . ?
C110 Dy3B C111 28.2(2) . . ?
C111 Dy3B Cl5 117.69(15) . . ?
C112 Dy3B Cl5 133.60(18) . . ?
C112 Dy3B C110 51.6(2) . . ?
C112 Dy3B C111 29.36(18) . . ?
C113 Dy3B Cl5 160.9(2) . . ?
C113 Dy3B C110 60.5(2) . . ?
C113 Dy3B C111 51.3(2) . . ?
C113 Dy3B C112 28.92(19) . . ?
C114 Dy3B Cl5 165.4(2) . . ?
C114 Dy3B C109 30.0(2) . . ?
C114 Dy3B C110 52.0(2) . . ?
C114 Dy3B C111 60.4(2) . . ?
C114 Dy3B C112 52.6(2) . . ?
C114 Dy3B C113 30.30(19) . . ?
O13 K3 Cl6 83.50(11) . . ?
O13 K3 O14 63.04(14) . . ?
O13 K3 O15 109.66(14) . . ?
O13 K3 O16 138.66(16) . . ?
O13 K3 O18 90.21(15) . . ?
O14 K3 Cl6 144.32(11) . . ?
O14 K3 O15 75.18(14) . . ?
O15 K3 Cl6 131.51(10) . . ?
O16 K3 Cl6 79.33(11) . . ?
O16 K3 O14 134.06(15) . . ?
O16 K3 O15 59.75(14) . . ?
O16 K3 O18 125.04(15) . . ?
O17 K3 Cl6 115.99(11) . . ?
O17 K3 O13 141.95(16) . . ?
O17 K3 O14 87.24(14) . . ?
O17 K3 O15 82.49(14) . . ?
O17 K3 O16 78.99(15) . . ?
O17 K3 O18 61.45(15) . . ?
O18 K3 Cl6 85.22(12) . . ?
O18 K3 O14 83.02(15) . . ?
O18 K3 O15 138.62(14) . . ?
Dy3 Cl5 Dy3B 5.92(7) . . ?
Dy3 Cl6 K3 147.25(7) . . ?
Dy3B Cl6 Dy3 7.51(9) . . ?
Dy3B Cl6 K3 139.76(11) . . ?
C151 O13 K3 126.6(4) . . ?
C151 O13 C152 111.7(5) . . ?
C152 O13 K3 115.3(4) . . ?
C153 O14 K3 104.2(3) . . ?
C154 O14 K3 111.2(4) . . ?
C154 O14 C153 111.8(5) . . ?
C157 O15 K3 109.7(4) . . ?
C158 O15 K3 112.9(4) . . ?
C158 O15 C157 109.5(5) . . ?
C155 O16 K3 110.3(4) . . ?
C156 O16 K3 120.7(4) . . ?
C156 O16 C155 112.5(5) . . ?
C159 O17 K3 127.0(4) . . ?
C160 O17 K3 119.3(4) . . ?
C160 O17 C159 111.0(5) . . ?
C161 O18 K3 107.0(4) . . ?
C161 O18 C162 112.3(6) . . ?
C162 O18 K3 118.7(4) . . ?
Dy3 N5 Dy3B 10.81(5) . . ?
C120 N5 Dy3 128.8(4) . . ?
C120 N5 Dy3B 119.9(4) . . ?
C120 N5 C121 111.7(5) . . ?
C121 N5 Dy3 119.0(4) . . ?
C121 N5 Dy3B 126.2(4) . . ?
Dy3 N6 Dy3B 9.64(5) . . ?
C134 N6 Dy3 129.3(4) . . ?
C134 N6 Dy3B 121.3(4) . . ?
C134 N6 C139 113.5(5) . . ?
C139 N6 Dy3 116.4(4) . . ?
C139 N6 Dy3B 122.7(4) . . ?
Dy3B C109 Dy3 8.32(3) . . ?
C110 C109 Dy3 73.6(4) . . ?
C110 C109 Dy3B 80.6(4) . . ?
C110 C109 C115 119.8(6) . . ?
C114 C109 Dy3 81.7(4) . . ?
C114 C109 Dy3B 74.1(4) . . ?
C114 C109 C110 119.1(6) . . ?
C114 C109 C115 120.9(6) . . ?
C115 C109 Dy3 109.9(4) . . ?
C115 C109 Dy3B 110.6(4) . . ?
Dy3B C110 Dy3 9.29(3) . . ?
C109 C110 Dy3 78.0(4) . . ?
C109 C110 Dy3B 69.8(4) . . ?
C111 C110 Dy3 75.7(4) . . ?
C111 C110 Dy3B 77.2(4) . . ?
C111 C110 C109 120.3(6) . . ?
Dy3 C111 Dy3B 9.25(3) . . ?
C110 C111 Dy3 76.1(4) . . ?
C110 C111 Dy3B 74.6(4) . . ?
C110 C111 C112 120.2(6) . . ?
C112 C111 Dy3 78.6(4) . . ?
C112 C111 Dy3B 72.3(4) . . ?
Dy3B C112 Dy3 8.82(4) . . ?
C111 C112 Dy3 72.7(3) . . ?
C111 C112 Dy3B 78.4(4) . . ?
C111 C112 C133 118.8(6) . . ?
C113 C112 Dy3 82.0(4) . . ?
C113 C112 Dy3B 73.2(4) . . ?
C113 C112 C111 119.0(6) . . ?
C113 C112 C133 121.8(6) . . ?
C133 C112 Dy3 110.2(4) . . ?
C133 C112 Dy3B 113.8(4) . . ?
C112 C113 Dy3B 77.9(4) . . ?
C112 C113 C114 120.4(6) . . ?
C114 C113 Dy3B 72.7(4) . . ?
C109 C114 Dy3B 75.8(4) . . ?
C109 C114 C113 120.8(6) . . ?
C113 C114 Dy3B 77.0(4) . . ?
C116 C115 C109 121.0(6) . . ?
C116 C115 C120 122.4(6) . . ?
C120 C115 C109 116.6(6) . . ?
C117 C116 C115 120.3(6) . . ?
C116 C117 C118 119.2(6) . . ?
C119 C118 C117 120.5(6) . . ?
C118 C119 C120 121.6(6) . . ?
N5 C120 C115 119.8(6) . . ?
N5 C120 C119 124.1(6) . . ?
C115 C120 C119 116.1(6) . . ?
C122 C121 N5 121.2(6) . . ?
C122 C121 C126 120.1(6) . . ?
C126 C121 N5 118.6(6) . . ?
C121 C122 C130 121.7(6) . . ?
C123 C122 C121 117.7(6) . . ?
C123 C122 C130 120.6(6) . . ?
C124 C123 C122 122.6(6) . . ?
C125 C124 C123 118.7(6) . . ?
C124 C125 C126 121.8(6) . . ?
C121 C126 C127 120.6(6) . . ?
C125 C126 C121 119.0(6) . . ?
C125 C126 C127 120.5(6) . . ?
C126 C127 C128 113.4(6) . . ?
C126 C127 C129 112.1(6) . . ?
C129 C127 C128 109.4(6) . . ?
C122 C130 C131 110.5(6) . . ?
C122 C130 C132 112.7(6) . . ?
C132 C130 C131 109.6(6) . . ?
C134 C133 C112 116.2(6) . . ?
C138 C133 C112 121.7(6) . . ?
C138 C133 C134 122.0(6) . . ?
N6 C134 C133 120.2(6) . . ?
N6 C134 C135 124.5(6) . . ?
C133 C134 C135 115.3(6) . . ?
C136 C135 C134 122.4(7) . . ?
C135 C136 C137 120.9(7) . . ?
C136 C137 C138 118.7(6) . . ?
C137 C138 C133 120.5(7) . . ?
N6 C139 C144 119.7(6) . . ?
C140 C139 N6 120.4(6) . . ?
C140 C139 C144 119.8(6) . . ?
C139 C140 C148 121.4(6) . . ?
C141 C140 C139 119.1(6) . . ?
C141 C140 C148 119.5(6) . . ?
C140 C141 C142 121.4(6) . . ?
C141 C142 C143 118.8(6) . . ?
C144 C143 C142 122.8(6) . . ?
C139 C144 C145 121.4(6) . . ?
C143 C144 C139 118.0(6) . . ?
C143 C144 C145 120.5(6) . . ?
C144 C145 C146 112.1(5) . . ?
C144 C145 C147 111.4(5) . . ?
C146 C145 C147 109.2(6) . . ?
C140 C148 C149 111.0(6) . . ?
C140 C148 C150 111.8(6) . . ?
C150 C148 C149 110.0(6) . . ?
O13 C152 C153 109.7(5) . . ?
O14 C153 C152 108.9(6) . . ?
O16 C156 C157 109.1(6) . . ?
O15 C157 C156 107.3(5) . . ?
O17 C160 C161 110.7(5) . . ?
O18 C161 C160 109.3(6) . . ?
Cl7 Dy4 Cl8 104.97(5) . . ?
Cl7 Dy4 C163 143.47(13) . . ?
Cl7 Dy4 C164 128.36(14) . . ?
Cl7 Dy4 C165 127.82(13) . . ?
Cl7 Dy4 C166 142.43(14) . . ?
Cl7 Dy4 C167 166.08(13) . . ?
Cl7 Dy4 C168 166.81(13) . . ?
Cl8 Dy4 C163 98.16(13) . . ?
Cl8 Dy4 C164 124.08(14) . . ?
Cl8 Dy4 C165 124.41(13) . . ?
Cl8 Dy4 C166 98.13(13) . . ?
Cl8 Dy4 C167 75.10(13) . . ?
Cl8 Dy4 C168 75.63(13) . . ?
N7 Dy4 Cl7 87.10(13) . . ?
N7 Dy4 Cl8 100.38(13) . . ?
N7 Dy4 N8 160.57(18) . . ?
N7 Dy4 C163 60.87(18) . . ?
N7 Dy4 C164 70.43(18) . . ?
N7 Dy4 C165 98.54(18) . . ?
N7 Dy4 C166 117.60(19) . . ?
N7 Dy4 C167 106.67(18) . . ?
N7 Dy4 C168 79.87(17) . . ?
N8 Dy4 Cl7 84.61(13) . . ?
N8 Dy4 Cl8 98.73(14) . . ?
N8 Dy4 C163 119.60(18) . . ?
N8 Dy4 C164 101.41(18) . . ?
N8 Dy4 C165 73.20(18) . . ?
N8 Dy4 C166 62.64(19) . . ?
N8 Dy4 C167 81.64(18) . . ?
N8 Dy4 C168 108.43(17) . . ?
C163 Dy4 C167 48.40(17) . . ?
C163 Dy4 C168 26.94(17) . . ?
C164 Dy4 C163 28.03(18) . . ?
C164 Dy4 C167 57.35(19) . . ?
C164 Dy4 C168 48.55(18) . . ?
C165 Dy4 C163 49.82(18) . . ?
C165 Dy4 C164 28.50(18) . . ?
C165 Dy4 C166 28.57(18) . . ?
C165 Dy4 C167 49.41(17) . . ?
C165 Dy4 C168 57.16(17) . . ?
C166 Dy4 C163 57.76(19) . . ?
C166 Dy4 C164 50.19(19) . . ?
C166 Dy4 C167 27.67(18) . . ?
C166 Dy4 C168 48.67(18) . . ?
C167 Dy4 C168 27.12(17) . . ?
Cl7 Dy4B C163 136.40(16) . . ?
Cl7 Dy4B C164 116.87(14) . . ?
Cl7 Dy4B C165 114.32(14) . . ?
Cl7 Dy4B C166 129.53(18) . . ?
Cl7 Dy4B C167 157.0(2) . . ?
Cl8 Dy4B Cl7 106.68(16) . . ?
Cl8 Dy4B N7 111.6(2) . . ?
Cl8 Dy4B N8 101.74(18) . . ?
Cl8 Dy4B C163 110.27(16) . . ?
Cl8 Dy4B C164 135.92(17) . . ?
Cl8 Dy4B C165 133.01(18) . . ?
Cl8 Dy4B C166 106.17(17) . . ?
Cl8 Dy4B C167 83.75(15) . . ?
Cl8 Dy4B C168 85.78(14) . . ?
N7 Dy4B Cl7 82.28(16) . . ?
N7 Dy4B N8 144.32(17) . . ?
N7 Dy4B C163 63.3(2) . . ?
N7 Dy4B C164 69.8(2) . . ?
N7 Dy4B C165 96.1(2) . . ?
N7 Dy4B C166 118.7(2) . . ?
N7 Dy4B C167 113.5(2) . . ?
N7 Dy4B C168 85.6(2) . . ?
N8 Dy4B Cl7 76.05(14) . . ?
N8 Dy4B C163 117.0(2) . . ?
N8 Dy4B C164 95.2(2) . . ?
N8 Dy4B C165 68.5(2) . . ?
N8 Dy4B C166 60.5(2) . . ?
N8 Dy4B C167 81.8(2) . . ?
N8 Dy4B C168 109.9(2) . . ?
C163 Dy4B C164 28.27(19) . . ?
C163 Dy4B C165 49.8(2) . . ?
C163 Dy4B C166 59.1(2) . . ?
C164 Dy4B C165 27.64(18) . . ?
C166 Dy4B C164 49.6(2) . . ?
C166 Dy4B C165 27.93(18) . . ?
C167 Dy4B C163 51.2(2) . . ?
C167 Dy4B C164 58.6(2) . . ?
C167 Dy4B C165 49.91(19) . . ?
C167 Dy4B C166 28.55(19) . . ?
C168 Dy4B Cl7 165.14(19) . . ?
C168 Dy4B C163 28.74(19) . . ?
C168 Dy4B C164 50.1(2) . . ?
C168 Dy4B C165 58.4(2) . . ?
C168 Dy4B C166 50.8(2) . . ?
C168 Dy4B C167 29.19(19) . . ?
O19 K4 Cl8 84.90(11) . . ?
O19 K4 O20 58.48(14) . . ?
O19 K4 O22 126.4(2) . . ?
O19 K4 O23 135.9(3) . . ?
O20 K4 Cl8 137.02(12) . . ?
O21 K4 Cl8 110.0(2) . . ?
O21 K4 O19 78.72(18) . . ?
O21 K4 O20 85.8(2) . . ?
O21 K4 O22 59.4(2) . . ?
O21 K4 O23 86.7(3) . . ?
O21 K4 O24A 135.3(2) . . ?
O22 K4 Cl8 80.36(14) . . ?
O22 K4 O20 138.35(17) . . ?
O23 K4 Cl8 139.0(2) . . ?
O23 K4 O20 79.3(2) . . ?
O23 K4 O22 76.7(3) . . ?
O24A K4 Cl8 85.74(17) . . ?
O24A K4 O19 145.7(2) . . ?
O24A K4 O20 111.3(2) . . ?
O24A K4 O22 84.0(2) . . ?
O24A K4 O23 58.6(3) . . ?
Dy4 Cl7 Dy4B 6.34(8) . . ?
Dy4 Cl8 K4 141.01(7) . . ?
Dy4B Cl8 Dy4 5.01(9) . . ?
Dy4B Cl8 K4 137.91(12) . . ?
C205 O19 K4 110.2(4) . . ?
C206 O19 K4 119.3(4) . . ?
C206 O19 C205 112.2(5) . . ?
C207 O20 K4 115.2(4) . . ?
C207 O20 C208 111.3(6) . . ?
C208 O20 K4 118.0(4) . . ?
C209 O21 K4 127.4(9) . . ?
C209 O21 C210 112.4(10) . . ?
C210 O21 K4 118.5(6) . . ?
C211 O22 K4 111.5(7) . . ?
C211 O22 C212 111.9(9) . . ?
C212 O22 K4 122.6(5) . . ?
C213 O23 K4 108.1(7) . . ?
C214 O23 K4 117.8(8) . . ?
C214 O23 C213 100.7(10) . . ?
C21A O24A K4 116.5(6) . . ?
C215 O24A K4 114.5(6) . . ?
C215 O24A C21A 113.5(8) . . ?
C21B O24B C215 103.0(13) . . ?
Dy4B N7 Dy4 9.14(5) . . ?
C174 N7 Dy4 131.6(4) . . ?
C174 N7 Dy4B 126.3(4) . . ?
C174 N7 C175 112.6(5) . . ?
C175 N7 Dy4 115.6(4) . . ?
C175 N7 Dy4B 119.2(4) . . ?
Dy4 N8 Dy4B 7.38(3) . . ?
C188 N8 Dy4 128.1(4) . . ?
C188 N8 Dy4B 123.8(4) . . ?
C188 N8 C193 112.8(5) . . ?
C193 N8 Dy4 119.1(4) . . ?
C193 N8 Dy4B 122.7(4) . . ?
C21B C21A O24A 73.8(10) . . ?
C21A C21B O24B 92.2(14) . . ?
Dy4B C163 Dy4 7.25(4) . . ?
C164 C163 Dy4 73.8(3) . . ?
C164 C163 Dy4B 80.8(4) . . ?
C164 C163 C169 117.6(6) . . ?
C168 C163 Dy4 78.9(4) . . ?
C168 C163 Dy4B 73.3(4) . . ?
C168 C163 C164 120.0(6) . . ?
C168 C163 C169 121.9(6) . . ?
C169 C163 Dy4 110.8(4) . . ?
C169 C163 Dy4B 109.5(4) . . ?
Dy4 C164 Dy4B 7.48(4) . . ?
C163 C164 Dy4 78.2(3) . . ?
C163 C164 Dy4B 70.9(3) . . ?
C165 C164 Dy4 74.1(3) . . ?
C165 C164 Dy4B 77.0(4) . . ?
C165 C164 C163 119.5(6) . . ?
Dy4 C165 Dy4B 7.21(4) . . ?
C164 C165 Dy4 77.4(3) . . ?
C164 C165 Dy4B 75.3(4) . . ?
C164 C165 C166 120.0(6) . . ?
C166 C165 Dy4 77.3(4) . . ?
C166 C165 Dy4B 73.0(4) . . ?
Dy4 C166 Dy4B 7.64(3) . . ?
C165 C166 Dy4 74.1(4) . . ?
C165 C166 Dy4B 79.1(4) . . ?
C165 C166 C187 119.5(6) . . ?
C167 C166 Dy4 80.0(4) . . ?
C167 C166 Dy4B 72.3(3) . . ?
C167 C166 C165 119.7(6) . . ?
C167 C166 C187 120.6(6) . . ?
C187 C166 Dy4 110.7(4) . . ?
C187 C166 Dy4B 113.6(4) . . ?
Dy4B C167 Dy4 6.76(7) . . ?
C166 C167 Dy4 72.4(4) . . ?
C166 C167 Dy4B 79.1(4) . . ?
C168 C167 Dy4 77.2(4) . . ?
C168 C167 Dy4B 73.7(4) . . ?
C168 C167 C166 119.7(6) . . ?
Dy4B C168 Dy4 5.98(7) . . ?
C163 C168 Dy4 74.2(4) . . ?
C163 C168 Dy4B 77.9(4) . . ?
C163 C168 C167 121.1(6) . . ?
C167 C168 Dy4 75.7(4) . . ?
C167 C168 Dy4B 77.1(4) . . ?
C170 C169 C163 123.0(6) . . ?
C170 C169 C174 120.0(6) . . ?
C174 C169 C163 116.9(6) . . ?
C171 C170 C169 121.6(6) . . ?
C170 C171 C172 118.8(7) . . ?
C171 C172 C173 121.2(6) . . ?
C172 C173 C174 120.9(6) . . ?
N7 C174 C169 118.1(6) . . ?
N7 C174 C173 124.4(6) . . ?
C173 C174 C169 117.5(6) . . ?
N7 C175 C180 119.0(6) . . ?
C176 C175 N7 122.0(6) . . ?
C176 C175 C180 119.0(6) . . ?
C175 C176 C184 120.9(6) . . ?
C177 C176 C175 119.7(6) . . ?
C177 C176 C184 119.5(6) . . ?
C178 C177 C176 120.7(6) . . ?
C179 C178 C177 119.0(6) . . ?
C178 C179 C180 122.9(6) . . ?
C175 C180 C181 120.9(5) . . ?
C179 C180 C175 118.8(6) . . ?
C179 C180 C181 120.2(6) . . ?
C180 C181 C182 113.4(6) . . ?
C180 C181 C183 112.9(6) . . ?
C182 C181 C183 110.1(6) . . ?
C185 C184 C176 111.7(6) . . ?
C186 C184 C176 110.8(6) . . ?
C186 C184 C185 110.6(6) . . ?
C188 C187 C166 116.6(6) . . ?
C192 C187 C166 120.5(6) . . ?
C192 C187 C188 122.9(6) . . ?
N8 C188 C189 123.7(6) . . ?
C187 C188 N8 120.2(6) . . ?
C187 C188 C189 116.0(6) . . ?
C190 C189 C188 121.1(6) . . ?
C191 C190 C189 122.0(6) . . ?
C190 C191 C192 117.6(6) . . ?
C187 C192 C191 120.4(6) . . ?
C194 C193 N8 118.8(6) . . ?
C198 C193 N8 120.2(6) . . ?
C198 C193 C194 121.1(6) . . ?
C193 C194 C202 121.7(6) . . ?
C195 C194 C193 118.4(6) . . ?
C195 C194 C202 119.9(6) . . ?
C196 C195 C194 121.7(7) . . ?
C197 C196 C195 118.8(7) . . ?
C196 C197 C198 122.0(6) . . ?
C193 C198 C197 117.7(6) . . ?
C193 C198 C199 123.5(6) . . ?
C197 C198 C199 118.7(6) . . ?
C198 C199 C200 111.3(7) . . ?
C198 C199 C201 112.2(6) . . ?
C200 C199 C201 111.0(6) . . ?
C194 C202 C203 109.5(6) . . ?
C194 C202 C204 112.5(6) . . ?
C204 C202 C203 110.5(5) . . ?
O19 C206 C207 110.3(6) . . ?
O20 C207 C206 108.2(6) . . ?
O21 C210 C211 114.6(9) . . ?
O22 C211 C210 114.1(12) . . ?
O23 C214 C215 94.3(9) . . ?
O24A C215 O24B 69.2(8) . . ?
O24A C215 C214 102.4(7) . . ?
C214 C215 O24B 139.4(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.55(2)
2 0.45(2)

_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# 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_(2)DyI2LaAr
_database_code_depnum_ccdc_archive 'CCDC 1979069'
loop_
_audit_author_name
_audit_author_address
'Jesse Murillo'
;University of Texas at El Paso
United States of America
;
_audit_update_record             
;
2020-01-20 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_audit_creation_date             2019-09-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56.45 H74.29 Dy I2 K N2 O7.91'
_chemical_formula_sum            'C56.61 H68 Dy I2 K N2 O7.88'
_chemical_formula_weight         1358.01
_chemical_melting_point          ?
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.2019(4)
_cell_length_b                   13.5333(4)
_cell_length_c                   18.6052(5)
_cell_angle_alpha                104.305(2)
_cell_angle_beta                 94.039(2)
_cell_angle_gamma                108.319(2)
_cell_volume                     3017.91(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9301
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.51
_cell_measurement_theta_min      3.03
_shelx_estimated_absorpt_T_max   0.648
_shelx_estimated_absorpt_T_min   0.450
_exptl_absorpt_coefficient_mu    2.379
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1240 before and 0.0708 after correction. The Ratio of minimum to maximum transmission is 0.8050. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1351
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_unetI/netI     0.0560
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            180319
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.587
_diffrn_reflns_theta_min         2.596
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14506
_reflns_number_total             19676
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         4.242
_refine_diff_density_min         -3.432
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       0.00096(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         19676
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1133
_refine_ls_R_factor_gt           0.0731
_refine_ls_restrained_S_all      1.154
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+62.7484P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1690
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O22-C7 \\sim O6-C13
 with sigma of 0.02
 C7-C13 \\sim C10-C0AA
 with sigma of 0.02
 O6-C13 \\sim O22-C7
 with sigma of 0.01
3. Restrained angles
 C10-O1-C15
 fixed at 110 with sigma of 0.02
4. Others
 Fixed Sof: O0AA(0.5) C0AA(0.5) H0AB(0.5) H0AC(0.5) O6(0.5) C7(0.5) C10(0.5)
 H10A(0.5) H10B(0.5) C11(0.5) C13(0.5) H13A(0.5) H13B(0.5) C15(0.5) C16(0.5)
 C2AA(0.5) H2AB(0.5) H2AC(0.5) C8(0.5) C6(0.5) H6A(0.5) H6B(0.5) H6C(0.5)
 C1AA(0.5) H1AB(0.5) H1AC(0.5) H1AD(0.5)
5.a Ternary CH refined with riding coordinates:
 C00V(H00V), C00X(H00X), C00Z(H00Z), C019(H019)
5.b Secondary CH2 refined with riding coordinates:
 C01C(H01I,H01J), C01G(H01O,H01P), C01N(H1AA,HF), C0AA(H0AB,H0AC), C10(H10A,
 H10B), C13(H13A,H13B), C2AA(H2AB,H2AC)
5.c Aromatic/amide H refined with riding coordinates:
 C00B(H00B), C00C(H00C), C00D(H00D), C00H(H00H), C00R(H00R), C00T(H00T),
 C00W(H00W), C00Y(H00Y), C010(H010), C011(H011), C012(H012), C015(H015),
 C016(H016), C017(H017), C018(H018), C01A(H01G), C01B(H01H), C01E(H01K),
 C01O(H2AA)
5.d Idealised Me refined as rotating group:
 C013(H01A,H01B,H01C), C014(H01D,H01E,H01F), C01F(H01L,H01M,H01N), C01H(H01Q,
 H01R,H01S), C01I(H01T,H01U,H01V), C01J(H01W,H01X,H01Y), C01K(H01Z,H,HA),
 C01L(H01,HB,HC), C01M(H0AA,HD,HE), C01P(H3AA,HG,HH), C01Q(H4AA,HI,HJ),
 C01R(H5AA,HK,HL), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C1AA(H1AB,H1AC,H1AD)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy01 Dy 0.46749(2) 0.75928(3) 0.71252(2) 0.01473(8) Uani 1 1 d . . . . .
I002 I 0.63620(4) 0.95889(4) 0.81234(3) 0.01993(10) Uani 1 1 d . . . . .
I003 I 0.33897(4) 0.66336(4) 0.81641(3) 0.02727(12) Uani 1 1 d . . . . .
K004 K 0.85414(14) 1.20739(15) 0.80980(9) 0.0263(3) Uani 1 1 d . . . . .
N005 N 0.3309(4) 0.8380(5) 0.6962(3) 0.0153(10) Uani 1 1 d . . . . .
O006 O 0.6688(5) 1.1677(5) 0.7019(4) 0.0320(13) Uani 1 1 d . . . . .
N007 N 0.5526(5) 0.6232(5) 0.7116(3) 0.0169(11) Uani 1 1 d . . . . .
O008 O 0.9570(5) 1.0611(6) 0.7558(4) 0.0453(18) Uani 1 1 d . . . . .
O009 O 0.8972(5) 0.9237(6) 0.6051(4) 0.0352(14) Uani 1 1 d . . . . .
O00A O 0.8851(5) 1.2580(5) 0.6744(3) 0.0367(15) Uani 1 1 d . . . . .
C00B C 0.4046(5) 0.7232(6) 0.5555(4) 0.0176(12) Uani 1 1 d . . . . .
H00B H 0.329888 0.690558 0.534994 0.021 Uiso 1 1 calc R . . . .
C00C C 0.4667(5) 0.6581(5) 0.5592(4) 0.0175(12) Uani 1 1 d . . . . .
H00C H 0.434200 0.581345 0.541929 0.021 Uiso 1 1 calc R . . . .
C00D C 0.6254(6) 0.8171(6) 0.6102(4) 0.0198(13) Uani 1 1 d . . . . .
H00D H 0.701087 0.849381 0.627501 0.024 Uiso 1 1 calc R . . . .
C00E C 0.5774(5) 0.7057(5) 0.5885(4) 0.0161(12) Uani 1 1 d . . . . .
C00F C 0.6403(5) 0.6372(5) 0.6019(4) 0.0154(12) Uani 1 1 d . . . . .
C00G C 0.4512(5) 0.8368(5) 0.5819(3) 0.0145(11) Uani 1 1 d . . . . .
C00H C 0.5618(6) 0.8833(6) 0.6067(4) 0.0223(14) Uani 1 1 d . . . . .
H00H H 0.595051 0.960023 0.621524 0.027 Uiso 1 1 calc R . . . .
C00I C 0.2436(5) 0.8231(5) 0.7393(4) 0.0162(12) Uani 1 1 d . . . . .
C00J C 0.5310(5) 0.5589(5) 0.7636(4) 0.0174(12) Uani 1 1 d . . . . .
C00K C 0.2527(6) 0.8986(6) 0.8092(4) 0.0194(13) Uani 1 1 d . . . . .
C00L C 0.3215(5) 0.9007(5) 0.6490(4) 0.0164(12) Uani 1 1 d . . . . .
C00M C 0.6238(5) 0.5960(5) 0.6648(4) 0.0178(12) Uani 1 1 d . . . . .
C00N C 0.3812(5) 0.9038(5) 0.5890(4) 0.0153(11) Uani 1 1 d . . . . .
C00O C 0.5842(6) 0.6003(6) 0.8383(4) 0.0225(14) Uani 1 1 d . . . . .
C00P C 0.4548(6) 0.4520(6) 0.7388(4) 0.0184(13) Uani 1 1 d . . . . .
C00Q C 0.1468(5) 0.7341(6) 0.7090(4) 0.0191(13) Uani 1 1 d . . . . .
C00R C 0.3736(6) 0.9650(6) 0.5403(4) 0.0207(13) Uani 1 1 d . . . . .
H00R H 0.415849 0.965629 0.500993 0.025 Uiso 1 1 calc R . . . .
C00T C 0.7121(6) 0.6147(6) 0.5545(4) 0.0201(13) Uani 1 1 d . . . . .
H00T H 0.721360 0.644403 0.513220 0.024 Uiso 1 1 calc R . . . .
C00V C 0.3558(6) 0.9928(6) 0.8447(4) 0.0217(14) Uani 1 1 d . . . . .
H00V H 0.410962 0.987700 0.811150 0.026 Uiso 1 1 calc R . . . .
C00W C 0.0593(6) 0.7234(6) 0.7476(4) 0.0236(14) Uani 1 1 d . . . . .
H00W H -0.006365 0.664373 0.727149 0.028 Uiso 1 1 calc R . . . .
C00X C 0.1381(6) 0.6495(6) 0.6358(4) 0.0208(13) Uani 1 1 d . . . . .
H00X H 0.213476 0.652686 0.629048 0.025 Uiso 1 1 calc R . . . .
C00Y C 0.6842(6) 0.5295(6) 0.6757(4) 0.0211(13) Uani 1 1 d . . . . .
H00Y H 0.675415 0.498645 0.716490 0.025 Uiso 1 1 calc R . . . .
C00Z C 0.3916(6) 0.4042(6) 0.6591(4) 0.0210(13) Uani 1 1 d . . . . .
H00Z H 0.408480 0.462996 0.633518 0.025 Uiso 1 1 calc R . . . .
C010 C 0.3053(6) 1.0250(6) 0.5482(4) 0.0228(14) Uani 1 1 d . . . . .
H010 H 0.299049 1.065403 0.514058 0.027 Uiso 1 1 calc R . . . .
C011 C 0.1627(6) 0.8831(6) 0.8461(4) 0.0254(15) Uani 1 1 d . . . . .
H011 H 0.167471 0.932405 0.893589 0.030 Uiso 1 1 calc R . . . .
C012 C 0.7561(5) 0.5082(6) 0.6281(4) 0.0202(13) Uani 1 1 d . . . . .
H012 H 0.796264 0.464318 0.637787 0.024 Uiso 1 1 calc R . . . .
C013 C 0.0759(6) 0.5340(6) 0.6362(5) 0.0262(15) Uani 1 1 d . . . . .
H01A H 0.105880 0.519677 0.680687 0.039 Uiso 1 1 calc GR . . . .
H01B H 0.082316 0.482747 0.590769 0.039 Uiso 1 1 calc GR . . . .
H01C H -0.000401 0.525351 0.637446 0.039 Uiso 1 1 calc GR . . . .
C014 C 0.3998(7) 0.9863(7) 0.9217(4) 0.0270(15) Uani 1 1 d . . . . .
H01D H 0.345950 0.988206 0.955184 0.041 Uiso 1 1 calc GR . . . .
H01E H 0.466579 1.048043 0.943663 0.041 Uiso 1 1 calc GR . . . .
H01F H 0.414842 0.918421 0.915178 0.041 Uiso 1 1 calc GR . . . .
C015 C 0.7708(6) 0.5492(6) 0.5669(4) 0.0217(14) Uani 1 1 d . . . . .
H015 H 0.819329 0.533264 0.534279 0.026 Uiso 1 1 calc R . . . .
C016 C 0.5616(7) 0.5344(7) 0.8862(4) 0.0263(15) Uani 1 1 d . . . . .
H016 H 0.596821 0.562376 0.936997 0.032 Uiso 1 1 calc R . . . .
C017 C 0.4357(6) 0.3891(6) 0.7881(5) 0.0255(15) Uani 1 1 d . . . . .
H017 H 0.385267 0.317114 0.771346 0.031 Uiso 1 1 calc R . . . .
C018 C 0.2461(6) 1.0250(6) 0.6070(4) 0.0218(14) Uani 1 1 d . . . . .
H018 H 0.200327 1.067289 0.613742 0.026 Uiso 1 1 calc R . . . .
C019 C 0.6617(6) 0.7174(6) 0.8673(4) 0.0253(15) Uani 1 1 d . . . . .
H019 H 0.638518 0.758510 0.835357 0.030 Uiso 1 1 calc R . . . .
C01A C 0.0671(6) 0.7980(7) 0.8154(5) 0.0290(16) Uani 1 1 d . . . . .
H01G H 0.006433 0.790732 0.840866 0.035 Uiso 1 1 calc R . . . .
C01B C 0.2529(5) 0.9642(6) 0.6558(4) 0.0186(13) Uani 1 1 d . . . . .
H01H H 0.210610 0.964933 0.695034 0.022 Uiso 1 1 calc R . . . .
C01C C 0.9110(7) 0.9450(9) 0.7362(5) 0.038(2) Uani 1 1 d . . . . .
H01I H 0.831639 0.924091 0.733469 0.046 Uiso 1 1 calc R . . . .
H01J H 0.938434 0.920112 0.776869 0.046 Uiso 1 1 calc R . . . .
C01E C 0.4893(7) 0.4296(7) 0.8618(5) 0.0296(17) Uani 1 1 d . . . . .
H01K H 0.476205 0.385448 0.895004 0.036 Uiso 1 1 calc R . . . .
C01F C 0.2706(7) 0.3653(7) 0.6600(5) 0.0316(17) Uani 1 1 d . . . . .
H01L H 0.250808 0.302403 0.680036 0.047 Uiso 1 1 calc GR . . . .
H01M H 0.231669 0.344446 0.608780 0.047 Uiso 1 1 calc GR . . . .
H01N H 0.251309 0.423791 0.691929 0.047 Uiso 1 1 calc GR . . . .
C01G C 0.9347(7) 0.8871(8) 0.6637(5) 0.0334(18) Uani 1 1 d . . . . .
H01O H 1.013466 0.901969 0.666805 0.040 Uiso 1 1 calc R . . . .
H01P H 0.898022 0.807835 0.653203 0.040 Uiso 1 1 calc R . . . .
C01H C 0.0908(7) 0.6753(7) 0.5683(4) 0.0302(17) Uani 1 1 d . . . . .
H01Q H 0.017005 0.674137 0.573140 0.045 Uiso 1 1 calc GR . . . .
H01R H 0.089475 0.620961 0.522004 0.045 Uiso 1 1 calc GR . . . .
H01S H 0.135519 0.747500 0.566459 0.045 Uiso 1 1 calc GR . . . .
C01I C 0.4260(7) 0.3126(7) 0.6143(5) 0.0300(17) Uani 1 1 d . . . . .
H01T H 0.502957 0.341040 0.610884 0.045 Uiso 1 1 calc GR . . . .
H01U H 0.383530 0.282503 0.563664 0.045 Uiso 1 1 calc GR . . . .
H01V H 0.413524 0.255349 0.639672 0.045 Uiso 1 1 calc GR . . . .
C01J C 0.6551(8) 0.7721(8) 0.9477(5) 0.041(2) Uani 1 1 d . . . . .
H01W H 0.579152 0.759668 0.953297 0.062 Uiso 1 1 calc GR . . . .
H01X H 0.694353 0.850334 0.959782 0.062 Uiso 1 1 calc GR . . . .
H01Y H 0.687387 0.741718 0.982015 0.062 Uiso 1 1 calc GR . . . .
C01K C 0.9236(8) 0.8763(8) 0.5357(5) 0.037(2) Uani 1 1 d . . . . .
H01Z H 0.895249 0.901655 0.496282 0.056 Uiso 1 1 calc GR . . . .
H H 0.891391 0.797069 0.523066 0.056 Uiso 1 1 calc GR . . . .
HA H 1.002298 0.897296 0.539425 0.056 Uiso 1 1 calc GR . . . .
C01L C 0.5704(7) 1.1726(8) 0.7265(6) 0.039(2) Uani 1 1 d . . . . .
H01 H 0.555014 1.133983 0.764815 0.059 Uiso 1 1 calc GR . . . .
HB H 0.511244 1.138678 0.683738 0.059 Uiso 1 1 calc GR . . . .
HC H 0.577107 1.248674 0.747972 0.059 Uiso 1 1 calc GR . . . .
C01M C 0.3413(7) 1.1031(6) 0.8532(5) 0.0275(16) Uani 1 1 d . . . . .
H0AA H 0.315925 1.107645 0.803737 0.041 Uiso 1 1 calc GR . . . .
HD H 0.410683 1.161434 0.874780 0.041 Uiso 1 1 calc GR . . . .
HE H 0.288144 1.110523 0.886415 0.041 Uiso 1 1 calc GR . . . .
C01N C 0.7925(8) 1.2083(8) 0.6178(5) 0.037(2) Uani 1 1 d . . . . .
H1AA H 0.779524 1.129586 0.598932 0.044 Uiso 1 1 calc R . . . .
HF H 0.804669 1.239976 0.575238 0.044 Uiso 1 1 calc R . . . .
C01O C 0.6961(8) 1.2252(7) 0.6487(5) 0.0350(19) Uani 1 1 d . . . . .
H2AA H 0.658617 1.268678 0.634457 0.042 Uiso 1 1 calc R . . . .
C01P C 0.7774(7) 0.7283(8) 0.8580(6) 0.042(2) Uani 1 1 d . . . . .
H3AA H 0.804139 0.690080 0.889097 0.063 Uiso 1 1 calc GR . . . .
HG H 0.822538 0.805252 0.873773 0.063 Uiso 1 1 calc GR . . . .
HH H 0.780366 0.696545 0.805153 0.063 Uiso 1 1 calc GR . . . .
C01Q C 0.9779(8) 1.2414(9) 0.6457(6) 0.048(3) Uani 1 1 d . . . . .
H4AA H 1.042360 1.282569 0.683952 0.072 Uiso 1 1 calc GR . . . .
HI H 0.986719 1.266285 0.600616 0.072 Uiso 1 1 calc GR . . . .
HJ H 0.968422 1.163960 0.632986 0.072 Uiso 1 1 calc GR . . . .
C01R C 1.0705(9) 1.0994(10) 0.7663(8) 0.063(4) Uani 1 1 d . . . . .
H5AA H 1.094800 1.087359 0.717318 0.094 Uiso 1 1 calc GR . . . .
HK H 1.097960 1.060240 0.796262 0.094 Uiso 1 1 calc GR . . . .
HL H 1.097980 1.177171 0.792645 0.094 Uiso 1 1 calc GR . . . .
O22 O 0.7720(7) 1.2962(7) 0.9368(5) 0.053(3) Uiso 0.97(3) 1 d D . . A .
O23 O 0.9402(7) 1.1791(8) 0.9379(5) 0.057(3) Uiso 0.93(3) 1 d . . . A -1
C4 C 0.9402(13) 1.0840(12) 0.9524(9) 0.062(6) Uiso 0.95(5) 1 d . . . A -1
H4A H 0.866307 1.040203 0.954699 0.093 Uiso 0.7(3) 1 calc GR . . A -1
H4B H 0.986438 1.100942 1.000501 0.093 Uiso 0.5(3) 1 calc GR . . A -1
H4C H 0.967973 1.043114 0.912165 0.093 Uiso 1.0(3) 1 calc GR . . A -1
O1 O 1.0836(7) 1.3535(7) 0.8799(5) 0.058(3) Uiso 1.00(3) 1 d . . . A 1
O0AA O 0.9341(11) 1.4486(11) 0.8596(8) 0.042(3) Uiso 0.5 1 d . . P A 1
C0AA C 1.0392(16) 1.4856(17) 0.8406(12) 0.043(4) Uiso 0.5 1 d D . P A 1
H0AB H 1.063117 1.565348 0.849847 0.052 Uiso 0.5 1 calc R . P A 1
H0AC H 1.036092 1.452528 0.786328 0.052 Uiso 0.5 1 calc R . P A 1
O6 O 0.8345(12) 1.4039(12) 0.8261(8) 0.047(3) Uiso 0.5 1 d D . P A 2
C7 C 0.7207(17) 1.3649(16) 0.9178(12) 0.047(5) Uiso 0.5 1 d D . P A 2
C10 C 1.1205(19) 1.4577(19) 0.8851(13) 0.052(5) Uiso 0.5 1 d D . P A 1
H10A H 1.189829 1.475791 0.865573 0.062 Uiso 0.5 1 calc R . P A 1
H10B H 1.133756 1.500607 0.938478 0.062 Uiso 0.5 1 calc R . P A 1
C11 C 0.9176(19) 1.4828(18) 0.8040(13) 0.046(5) Uiso 0.5 1 d . . P A 2
C13 C 0.7948(19) 1.4510(18) 0.8884(12) 0.054(6) Uiso 0.5 1 d D . P A 2
H13A H 0.754693 1.495717 0.873977 0.065 Uiso 0.5 1 calc R . P A 2
H13B H 0.856083 1.499303 0.928520 0.065 Uiso 0.5 1 calc R . P A 2
C15 C 1.161(3) 1.325(3) 0.9217(17) 0.073(8) Uiso 0.5 1 d . . P A 1
C16 C 0.861(2) 1.478(2) 0.8178(14) 0.051(5) Uiso 0.5 1 d . . P A 1
C2AA C 0.842(3) 1.248(3) 1.0057(19) 0.079(9) Uiso 0.5 1 d . . P A -1
H2AB H 0.838957 1.287110 1.057674 0.095 Uiso 0.5 1 calc R . P A -1
H2AC H 0.803711 1.169314 0.998167 0.095 Uiso 0.5 1 calc R . P A -1
C8 C 0.950(4) 1.266(4) 0.995(3) 0.111(13) Uiso 0.5 1 d . . P A -1
C6 C 0.714(2) 1.227(2) 0.9725(17) 0.069(7) Uiso 0.5 1 d . . P A 2
H6A H 0.655491 1.168027 0.936085 0.103 Uiso 0.5 1 calc GR . P A 2
H6B H 0.682174 1.266467 1.011032 0.103 Uiso 0.5 1 calc GR . P A 2
H6C H 0.760757 1.197000 0.996297 0.103 Uiso 0.5 1 calc GR . P A 2
C1AA C 0.6602(18) 1.2669(19) 0.9487(13) 0.048(5) Uiso 0.5 1 d . . P A -1
H1AB H 0.616008 1.275449 0.907639 0.072 Uiso 0.5 1 calc GR . P A -1
H1AC H 0.655270 1.314283 0.996576 0.072 Uiso 0.5 1 calc GR . P A -1
H1AD H 0.633709 1.191191 0.949984 0.072 Uiso 0.5 1 calc GR . P A -1


_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
Dy01 I002 2.9771(6) . ?
Dy01 I003 2.9356(6) . ?
Dy01 N005 2.402(5) . ?
Dy01 N007 2.438(6) . ?
Dy01 C00B 2.856(7) . ?
Dy01 C00C 2.840(6) . ?
Dy01 C00D 2.975(7) . ?
Dy01 C00E 2.874(6) . ?
Dy01 C00G 2.895(6) . ?
Dy01 C00H 2.984(7) . ?
I002 K004 3.6887(19) . ?
K004 O006 2.873(6) . ?
K004 O008 2.770(6) . ?
K004 O00A 2.794(6) . ?
K004 O22 2.824(8) . ?
K004 O23 2.731(9) . ?
K004 O1 3.032(9) . ?
K004 O0AA 2.972(14) . ?
K004 O6 2.698(15) . ?
K004 C7 3.52(2) . ?
K004 C8 3.40(4) . ?
N005 C00I 1.442(8) . ?
N005 C00L 1.388(8) . ?
O006 C01L 1.424(11) . ?
O006 C01O 1.403(10) . ?
N007 C00J 1.440(8) . ?
N007 C00M 1.396(8) . ?
O008 C01C 1.435(13) . ?
O008 C01R 1.404(12) . ?
O009 C01G 1.422(10) . ?
O009 C01K 1.413(11) . ?
O00A C01N 1.417(11) . ?
O00A C01Q 1.429(12) . ?
C00B C00C 1.388(9) . ?
C00B C00G 1.405(9) . ?
C00C C00E 1.404(9) . ?
C00D C00E 1.378(9) . ?
C00D C00H 1.417(11) . ?
C00E C00F 1.477(9) . ?
C00F C00M 1.418(9) . ?
C00F C00T 1.391(9) . ?
C00G C00H 1.387(10) . ?
C00G C00N 1.475(9) . ?
C00I C00K 1.412(10) . ?
C00I C00Q 1.413(10) . ?
C00J C00O 1.403(10) . ?
C00J C00P 1.416(10) . ?
C00K C00V 1.510(10) . ?
C00K C011 1.400(10) . ?
C00L C00N 1.412(9) . ?
C00L C01B 1.423(9) . ?
C00M C00Y 1.417(9) . ?
C00N C00R 1.389(9) . ?
C00O C016 1.395(10) . ?
C00O C019 1.527(11) . ?
C00P C00Z 1.525(10) . ?
C00P C017 1.384(10) . ?
C00Q C00W 1.391(9) . ?
C00Q C00X 1.518(10) . ?
C00R C010 1.383(10) . ?
C00T C015 1.394(10) . ?
C00V C014 1.540(10) . ?
C00V C01M 1.535(10) . ?
C00W C01A 1.381(11) . ?
C00X C013 1.522(10) . ?
C00X C01H 1.528(11) . ?
C00Y C012 1.390(9) . ?
C00Z C01F 1.519(11) . ?
C00Z C01I 1.528(10) . ?
C010 C018 1.388(10) . ?
C011 C01A 1.381(11) . ?
C012 C015 1.386(10) . ?
C016 C01E 1.377(12) . ?
C017 C01E 1.388(12) . ?
C018 C01B 1.383(10) . ?
C019 C01J 1.519(12) . ?
C019 C01P 1.514(12) . ?
C01C C01G 1.490(12) . ?
C01N C01O 1.491(13) . ?
O22 C7 1.403(18) . ?
O22 C2AA 1.88(3) . ?
O22 C6 1.36(3) . ?
O22 C1AA 1.45(2) . ?
O23 C4 1.379(16) . ?
O23 C8 1.35(5) . ?
O1 C10 1.31(2) . ?
O1 C15 1.45(3) . ?
O0AA C0AA 1.42(2) . ?
O0AA C16 1.41(3) . ?
C0AA C10 1.51(2) . ?
O6 C11 1.43(3) . ?
O6 C13 1.398(18) . ?
C7 C13 1.51(2) . ?
C2AA C8 1.41(5) . ?

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
I002 Dy01 C00H 76.27(14) . . ?
I003 Dy01 I002 104.052(17) . . ?
I003 Dy01 C00D 165.60(14) . . ?
I003 Dy01 C00H 166.84(16) . . ?
N005 Dy01 I002 97.39(14) . . ?
N005 Dy01 I003 85.74(13) . . ?
N005 Dy01 N007 160.4(2) . . ?
N005 Dy01 C00B 71.20(19) . . ?
N005 Dy01 C00C 98.9(2) . . ?
N005 Dy01 C00D 108.27(19) . . ?
N005 Dy01 C00E 118.48(19) . . ?
N005 Dy01 C00G 61.50(18) . . ?
N005 Dy01 C00H 81.2(2) . . ?
N007 Dy01 I002 101.59(14) . . ?
N007 Dy01 I003 84.82(13) . . ?
N007 Dy01 C00B 101.54(19) . . ?
N007 Dy01 C00C 73.58(19) . . ?
N007 Dy01 C00D 80.83(19) . . ?
N007 Dy01 C00E 62.53(18) . . ?
N007 Dy01 C00G 120.08(18) . . ?
N007 Dy01 C00H 108.1(2) . . ?
C00B Dy01 I002 124.43(14) . . ?
C00B Dy01 I003 127.81(13) . . ?
C00B Dy01 C00D 57.06(19) . . ?
C00B Dy01 C00E 49.94(19) . . ?
C00B Dy01 C00G 28.28(19) . . ?
C00B Dy01 C00H 48.58(19) . . ?
C00C Dy01 I002 126.86(14) . . ?
C00C Dy01 I003 127.30(14) . . ?
C00C Dy01 C00B 28.21(19) . . ?
C00C Dy01 C00D 48.86(19) . . ?
C00C Dy01 C00E 28.44(19) . . ?
C00C Dy01 C00G 50.05(19) . . ?
C00C Dy01 C00H 57.05(19) . . ?
C00D Dy01 I002 78.00(14) . . ?
C00D Dy01 C00H 27.5(2) . . ?
C00E Dy01 I002 101.41(13) . . ?
C00E Dy01 I003 141.93(13) . . ?
C00E Dy01 C00D 27.18(18) . . ?
C00E Dy01 C00G 58.21(18) . . ?
C00E Dy01 C00H 48.7(2) . . ?
C00G Dy01 I002 97.73(13) . . ?
C00G Dy01 I003 142.74(13) . . ?
C00G Dy01 C00D 48.98(19) . . ?
C00G Dy01 C00H 27.25(19) . . ?
Dy01 I002 K004 142.63(3) . . ?
O006 K004 I002 70.04(12) . . ?
O006 K004 O1 146.4(2) . . ?
O006 K004 O0AA 99.8(3) . . ?
O006 K004 C7 79.2(4) . . ?
O006 K004 C8 145.0(8) . . ?
O008 K004 I002 82.54(18) . . ?
O008 K004 O006 109.3(2) . . ?
O008 K004 O00A 83.3(2) . . ?
O008 K004 O22 143.2(2) . . ?
O008 K004 O1 82.1(2) . . ?
O008 K004 O0AA 131.4(3) . . ?
O008 K004 C7 165.2(4) . . ?
O008 K004 C8 97.6(8) . . ?
O00A K004 I002 120.05(14) . . ?
O00A K004 O006 60.81(18) . . ?
O00A K004 O22 133.2(2) . . ?
O00A K004 O1 90.6(2) . . ?
O00A K004 O0AA 78.0(3) . . ?
O00A K004 C7 111.5(3) . . ?
O00A K004 C8 147.2(8) . . ?
O22 K004 I002 81.37(18) . . ?
O22 K004 O006 95.9(2) . . ?
O22 K004 O1 91.6(2) . . ?
O22 K004 O0AA 66.1(3) . . ?
O22 K004 C7 22.2(3) . . ?
O22 K004 C8 50.5(8) . . ?
O23 K004 I002 81.7(2) . . ?
O23 K004 O006 149.5(2) . . ?
O23 K004 O008 77.0(2) . . ?
O23 K004 O00A 148.5(2) . . ?
O23 K004 O22 68.0(3) . . ?
O23 K004 O1 62.7(3) . . ?
O23 K004 O0AA 96.8(3) . . ?
O23 K004 C8 22.2(8) . . ?
O1 K004 I002 143.59(17) . . ?
O1 K004 C8 57.3(8) . . ?
O0AA K004 I002 145.1(3) . . ?
O0AA K004 O1 54.0(3) . . ?
O0AA K004 C8 77.0(8) . . ?
O6 K004 I002 125.4(3) . . ?
O6 K004 O006 75.2(3) . . ?
O6 K004 O008 149.8(4) . . ?
O6 K004 O00A 72.9(3) . . ?
O6 K004 O22 61.6(4) . . ?
O6 K004 C7 42.8(4) . . ?
C7 K004 I002 89.5(3) . . ?
C8 K004 I002 92.5(8) . . ?
C00I N005 Dy01 120.2(4) . . ?
C00L N005 Dy01 129.0(4) . . ?
C00L N005 C00I 110.7(5) . . ?
C01L O006 K004 120.0(5) . . ?
C01O O006 K004 111.6(5) . . ?
C01O O006 C01L 111.5(7) . . ?
C00J N007 Dy01 120.2(4) . . ?
C00M N007 Dy01 128.0(4) . . ?
C00M N007 C00J 111.8(5) . . ?
C01C O008 K004 126.6(5) . . ?
C01R O008 K004 118.2(6) . . ?
C01R O008 C01C 113.0(7) . . ?
C01K O009 C01G 111.4(7) . . ?
C01N O00A K004 114.0(5) . . ?
C01N O00A C01Q 110.7(7) . . ?
C01Q O00A K004 114.2(6) . . ?
C00C C00B Dy01 75.2(4) . . ?
C00C C00B C00G 120.6(6) . . ?
C00G C00B Dy01 77.4(4) . . ?
C00B C00C Dy01 76.5(4) . . ?
C00B C00C C00E 120.1(6) . . ?
C00E C00C Dy01 77.1(4) . . ?
C00E C00D Dy01 72.3(4) . . ?
C00E C00D C00H 119.8(6) . . ?
C00H C00D Dy01 76.6(4) . . ?
C00C C00E Dy01 74.4(4) . . ?
C00C C00E C00F 120.0(6) . . ?
C00D C00E Dy01 80.5(4) . . ?
C00D C00E C00C 119.9(6) . . ?
C00D C00E C00F 119.9(6) . . ?
C00F C00E Dy01 111.2(4) . . ?
C00M C00F C00E 116.9(6) . . ?
C00T C00F C00E 121.0(6) . . ?
C00T C00F C00M 122.1(6) . . ?
C00B C00G Dy01 74.3(4) . . ?
C00B C00G C00N 119.7(6) . . ?
C00H C00G Dy01 79.9(4) . . ?
C00H C00G C00B 118.9(6) . . ?
C00H C00G C00N 121.2(6) . . ?
C00N C00G Dy01 111.3(4) . . ?
C00D C00H Dy01 75.9(4) . . ?
C00G C00H Dy01 72.8(4) . . ?
C00G C00H C00D 120.5(6) . . ?
C00K C00I N005 120.6(6) . . ?
C00K C00I C00Q 120.5(6) . . ?
C00Q C00I N005 118.9(6) . . ?
C00O C00J N007 121.1(6) . . ?
C00O C00J C00P 119.6(6) . . ?
C00P C00J N007 119.3(6) . . ?
C00I C00K C00V 122.2(6) . . ?
C011 C00K C00I 117.8(7) . . ?
C011 C00K C00V 120.0(7) . . ?
N005 C00L C00N 120.3(6) . . ?
N005 C00L C01B 124.2(6) . . ?
C00N C00L C01B 115.4(6) . . ?
N007 C00M C00F 119.8(6) . . ?
N007 C00M C00Y 124.6(6) . . ?
C00Y C00M C00F 115.6(6) . . ?
C00L C00N C00G 115.1(6) . . ?
C00R C00N C00G 122.8(6) . . ?
C00R C00N C00L 122.1(6) . . ?
C00J C00O C019 120.3(6) . . ?
C016 C00O C00J 118.9(7) . . ?
C016 C00O C019 120.7(7) . . ?
C00J C00P C00Z 121.9(6) . . ?
C017 C00P C00J 119.5(7) . . ?
C017 C00P C00Z 118.6(7) . . ?
C00I C00Q C00X 120.8(6) . . ?
C00W C00Q C00I 119.3(7) . . ?
C00W C00Q C00X 119.9(6) . . ?
C010 C00R C00N 120.8(6) . . ?
C00F C00T C015 120.9(7) . . ?
C00K C00V C014 110.9(6) . . ?
C00K C00V C01M 112.4(6) . . ?
C01M C00V C014 110.0(6) . . ?
C01A C00W C00Q 120.5(7) . . ?
C00Q C00X C013 113.4(6) . . ?
C00Q C00X C01H 111.8(6) . . ?
C013 C00X C01H 110.6(6) . . ?
C012 C00Y C00M 121.6(7) . . ?
C00P C00Z C01I 111.0(6) . . ?
C01F C00Z C00P 111.0(6) . . ?
C01F C00Z C01I 111.0(6) . . ?
C00R C010 C018 118.7(7) . . ?
C01A C011 C00K 121.6(7) . . ?
C015 C012 C00Y 121.7(7) . . ?
C012 C015 C00T 118.0(6) . . ?
C01E C016 C00O 121.6(7) . . ?
C00P C017 C01E 120.9(7) . . ?
C01B C018 C010 120.9(7) . . ?
C01J C019 C00O 113.0(7) . . ?
C01P C019 C00O 112.8(7) . . ?
C01P C019 C01J 110.9(7) . . ?
C00W C01A C011 120.2(7) . . ?
C018 C01B C00L 121.9(6) . . ?
O008 C01C C01G 114.7(8) . . ?
C016 C01E C017 119.5(7) . . ?
O009 C01G C01C 109.0(7) . . ?
O00A C01N C01O 110.2(7) . . ?
O006 C01O C01N 110.2(7) . . ?
C7 O22 K004 108.2(10) . . ?
C2AA O22 K004 96.8(11) . . ?
C6 O22 K004 117.8(14) . . ?
C6 O22 C7 114.1(17) . . ?
C1AA O22 K004 127.6(10) . . ?
C1AA O22 C2AA 105.2(15) . . ?
C4 O23 K004 128.8(9) . . ?
C8 O23 K004 108(2) . . ?
C8 O23 C4 120(2) . . ?
C10 O1 K004 123.1(11) . . ?
C10 O1 C15 110.5(17) . . ?
C15 O1 K004 125.7(13) . . ?
C0AA O0AA K004 107.8(11) . . ?
C16 O0AA K004 104.9(13) . . ?
C16 O0AA C0AA 110.5(17) . . ?
O0AA C0AA C10 112.3(17) . . ?
C11 O6 K004 117.0(12) . . ?
C13 O6 K004 120.2(13) . . ?
C13 O6 C11 112.3(17) . . ?
O22 C7 K004 49.6(8) . . ?
O22 C7 C13 112.2(16) . . ?
C13 C7 K004 80.9(10) . . ?
O1 C10 C0AA 109.6(18) . . ?
O6 C13 C7 110.9(17) . . ?
C8 C2AA O22 110(3) . . ?
O23 C8 K004 49.9(16) . . ?
O23 C8 C2AA 102(3) . . ?
C2AA C8 K004 86(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
