#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:16:36 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178776 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/30/4103054.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4103054
loop_
_publ_author_name
'Georgios Karotsis'
'Stuart Kennedy'
'Simon J. Teat'
'Christine M. Beavers'
'Drew A. Fowler'
'Juan J. Morales'
'Marco Evangelisti'
'Scott J. Dalgarno'
'Euan K. Brechin'
_publ_section_title
;
 [MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and
 Molecular Magnets
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12983
_journal_page_last               12990
_journal_paper_doi               10.1021/ja104848m
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C130 H140 Dy4 Mn4 N8 O40'
_chemical_formula_weight         3324.26
_chemical_name_common            GK2748
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.752(2)
_cell_angle_beta                 104.586(2)
_cell_angle_gamma                96.203(2)
_cell_formula_units_Z            2
_cell_length_a                   17.805(2)
_cell_length_b                   19.781(2)
_cell_length_c                   23.563(3)
_cell_measurement_temperature    100(2)
_cell_volume                     7714.7(15)
_computing_cell_refinement       'Bruker SAINTv7.3a'
_computing_data_collection       'Bruker Apex 2'
_computing_data_reduction        'Bruker SAINTv7.3a'
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'local program'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Apex II CCD Diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_radiation_source         'Advanced Light Source station 11.3.1'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            64375
_diffrn_reflns_theta_full        25.56
_diffrn_reflns_theta_max         25.56
_diffrn_reflns_theta_min         2.93
_exptl_absorpt_coefficient_mu    2.877
_exptl_absorpt_correction_T_max  0.9447
_exptl_absorpt_correction_T_min  0.5969
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker-SADABS
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3320
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.931
_refine_diff_density_min         -1.680
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1764
_refine_ls_number_reflns         22184
_refine_ls_number_restraints     147
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0831P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1313
_reflns_number_gt                15071
_reflns_number_total             22184
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja104848m_si_002.cif
_cod_data_source_block           GK2748
_cod_original_cell_volume        7714.9(15)
_cod_database_code               4103054
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.344597(19) 0.98001(2) 0.010035(17) 0.03030(11) Uani 1 1 d . . .
O1 O 0.0730(3) 1.4619(3) -0.3167(3) 0.0455(15) Uani 1 1 d . . .
N1 N 0.0465(5) 1.5282(4) -0.1003(4) 0.064(2) Uani 1 1 d . . .
C1 C 0.1393(6) 1.4109(5) -0.2384(4) 0.050(2) Uani 1 1 d . . .
Dy2 Dy 0.447944(19) 1.04146(2) -0.102659(17) 0.03155(11) Uani 1 1 d . . .
O2 O -0.0518(3) 1.5380(3) -0.3157(2) 0.0415(14) Uani 1 1 d . . .
N2 N -0.3966(5) 1.7539(5) -0.5155(5) 0.092(3) Uani 1 1 d DU . .
C2 C 0.1318(7) 1.3682(6) -0.2000(5) 0.063(3) Uani 1 1 d . . .
H2 H 0.1781 1.3639 -0.1714 0.076 Uiso 1 1 calc R . .
Dy3 Dy -0.08271(2) 1.55438(2) -0.416566(18) 0.03794(11) Uani 1 1 d . . .
O3 O 0.0535(3) 1.6567(3) -0.2520(2) 0.0417(14) Uani 1 1 d . . .
N3 N -0.2989(6) 1.4098(6) -0.4151(5) 0.099(3) Uani 1 1 d U . .
C3 C 0.0618(7) 1.3324(6) -0.2010(5) 0.066(3) Uani 1 1 d . . .
H3 H 0.0594 1.3036 -0.1740 0.079 Uiso 1 1 calc R . .
Dy4 Dy 0.09244(2) 1.45126(2) -0.413873(18) 0.03729(11) Uani 1 1 d . . .
O4 O 0.1761(3) 1.5825(3) -0.2520(2) 0.0438(14) Uani 1 1 d . . .
N4 N -0.0919(4) 1.4289(6) -0.5059(4) 0.066(3) Uani 1 1 d . . .
C4 C -0.0057(7) 1.3386(5) -0.2419(5) 0.060(3) Uani 1 1 d . . .
H4 H -0.0546 1.3134 -0.2428 0.072 Uiso 1 1 calc R . .
Mn5 Mn 0.24392(6) 0.96632(7) -0.14326(5) 0.0332(3) Uani 1 1 d . C .
O5 O -0.1179(3) 1.7508(3) -0.4138(2) 0.0449(15) Uani 1 1 d . . .
N5 N 0.7234(5) 1.1510(5) -0.2654(4) 0.0608(18) Uani 1 1 d U . .
C5 C -0.0047(6) 1.3811(5) -0.2824(4) 0.055(3) Uani 1 1 d . . .
Mn6 Mn 0.62802(6) 1.13598(7) -0.10733(5) 0.0337(3) Uani 1 1 d . . .
O6 O -0.1918(3) 1.6123(3) -0.4470(3) 0.0440(15) Uani 1 1 d . . .
N6 N 0.0293(4) 1.0485(4) -0.2318(3) 0.051(2) Uani 1 1 d . . .
C6 C 0.0691(6) 1.4167(5) -0.2807(4) 0.048(2) Uani 1 1 d . . .
Mn7 Mn -0.16150(7) 1.68019(7) -0.49060(6) 0.0403(3) Uani 1 1 d . . .
O7 O -0.1985(3) 1.6069(3) -0.5687(3) 0.0442(15) Uani 1 1 d . . .
N7 N 0.2816(4) 1.1744(4) 0.1217(3) 0.0465(18) Uani 1 1 d . . .
C7 C -0.0802(6) 1.3906(5) -0.3230(4) 0.051(2) Uani 1 1 d . . .
H7A H -0.1165 1.3448 -0.3390 0.061 Uiso 1 1 calc R . .
H7B H -0.0692 1.4055 -0.3580 0.061 Uiso 1 1 calc R . .
Mn8 Mn 0.06304(7) 1.56014(7) -0.28027(6) 0.0404(3) Uani 1 1 d . . .
O8 O -0.1261(3) 1.7447(3) -0.5326(3) 0.0434(14) Uani 1 1 d . . .
N8 N 0.4774(4) 1.0895(5) 0.0498(4) 0.061(2) Uani 1 1 d . . .
C8 C -0.1208(6) 1.4454(5) -0.2902(4) 0.051(2) Uani 1 1 d . . .
O9 O -0.0622(3) 1.6218(3) -0.4840(2) 0.0373(13) Uani 1 1 d . . .
C9 C -0.1766(7) 1.4227(6) -0.2626(5) 0.069(3) Uani 1 1 d . . .
H9 H -0.1907 1.3739 -0.2663 0.083 Uiso 1 1 calc R . .
O10 O -0.1192(3) 1.4832(3) -0.5201(2) 0.0378(13) Uani 1 1 d . . .
C10 C -0.2116(7) 1.4711(6) -0.2297(5) 0.081(4) Uani 1 1 d . . .
H10 H -0.2526 1.4556 -0.2140 0.097 Uiso 1 1 calc R . .
O11 O -0.1121(3) 1.3667(3) -0.5405(3) 0.0442(14) Uani 1 1 d . . .
C11 C -0.1855(6) 1.5418(6) -0.2206(5) 0.063(3) Uani 1 1 d . . .
H11 H -0.2073 1.5748 -0.1964 0.075 Uiso 1 1 calc R . .
O12 O -0.0453(3) 1.4407(3) -0.4493(2) 0.0390(13) Uani 1 1 d . . .
C12 C -0.1280(5) 1.5672(5) -0.2456(4) 0.053(2) Uani 1 1 d . . .
O13 O 0.2119(3) 1.5295(3) -0.3513(3) 0.0447(15) Uani 1 1 d . . .
C13 C -0.1008(5) 1.5163(5) -0.2843(4) 0.048(2) Uani 1 1 d . . .
O14 O 0.0542(3) 1.5602(3) -0.3772(2) 0.0412(14) Uani 1 1 d . . .
C14 C -0.1004(5) 1.6453(5) -0.2337(4) 0.050(2) Uani 1 1 d . . .
H14A H -0.1422 1.6707 -0.2237 0.060 Uiso 1 1 calc R . .
H14B H -0.0917 1.6554 -0.2710 0.060 Uiso 1 1 calc R . .
O15 O 0.0485(3) 1.3352(3) -0.4074(3) 0.0436(14) Uani 1 1 d . . .
C15 C -0.0246(5) 1.6726(5) -0.1820(4) 0.046(2) Uani 1 1 d . . .
O16 O -0.0332(3) 1.6700(3) -0.3566(3) 0.0440(14) Uani 1 1 d . . .
C16 C -0.0268(6) 1.6945(5) -0.1225(4) 0.054(2) Uani 1 1 d . . .
H16 H -0.0763 1.6925 -0.1140 0.065 Uiso 1 1 calc R . .
O17 O 0.0499(4) 1.5322(3) -0.1948(3) 0.0540(16) Uani 1 1 d . . .
C17 C 0.0424(6) 1.7194(5) -0.0747(4) 0.056(3) Uani 1 1 d . . .
H17 H 0.0401 1.7333 -0.0340 0.067 Uiso 1 1 calc R . .
O18 O -0.2832(3) 1.7090(4) -0.5046(3) 0.0661(18) Uani 1 1 d U . .
C18 C 0.1133(6) 1.7233(5) -0.0874(4) 0.050(2) Uani 1 1 d . . .
H18 H 0.1602 1.7394 -0.0546 0.060 Uiso 1 1 calc R . .
O19 O -0.1915(3) 1.4779(3) -0.4184(3) 0.0528(16) Uani 1 1 d U . .
C19 C 0.1197(5) 1.7049(5) -0.1460(4) 0.049(2) Uani 1 1 d . . .
O20 O 0.7184(3) 1.2007(3) -0.0503(2) 0.0374(13) Uani 1 1 d . . .
C20 C 0.0488(5) 1.6779(5) -0.1943(4) 0.045(2) Uani 1 1 d . . .
O21 O 0.5728(3) 1.2124(3) -0.1167(2) 0.0391(14) Uani 1 1 d . . .
C21 C 0.2007(5) 1.7081(5) -0.1583(4) 0.044(2) Uani 1 1 d . . .
H21A H 0.1949 1.7112 -0.2005 0.053 Uiso 1 1 calc R . .
H21B H 0.2366 1.7509 -0.1306 0.053 Uiso 1 1 calc R . .
O22 O 0.5318(3) 1.0705(3) -0.1613(2) 0.0388(14) Uani 1 1 d . . .
C22 C 0.2360(5) 1.6436(5) -0.1490(4) 0.046(2) Uani 1 1 d . . .
O23 O 0.6817(3) 1.0574(3) -0.0930(2) 0.0353(13) Uani 1 1 d . . .
C23 C 0.2835(6) 1.6435(5) -0.0914(4) 0.061(3) Uani 1 1 d . . .
H23 H 0.2985 1.6858 -0.0597 0.073 Uiso 1 1 calc R . .
O24 O 0.1835(3) 0.8809(3) -0.1422(2) 0.0359(13) Uani 1 1 d . . .
C24 C 0.3080(6) 1.5837(6) -0.0806(5) 0.067(3) Uani 1 1 d . . .
H24 H 0.3377 1.5837 -0.0410 0.080 Uiso 1 1 calc R . .
O25 O 0.2565(3) 0.9244(3) -0.2203(2) 0.0373(13) Uani 1 1 d . . .
C25 C 0.2899(6) 1.5229(5) -0.1272(4) 0.060(3) Uani 1 1 d . . .
H25 H 0.3097 1.4821 -0.1193 0.072 Uiso 1 1 calc R . .
O26 O 0.3146(3) 1.0512(3) -0.1416(3) 0.0400(14) Uani 1 1 d . . .
C26 C 0.2436(6) 1.5197(5) -0.1852(4) 0.054(2) Uani 1 1 d . . .
O27 O 0.2395(3) 1.0087(3) -0.0615(2) 0.0347(13) Uani 1 1 d . . .
C27 C 0.2185(5) 1.5821(5) -0.1955(4) 0.046(2) Uani 1 1 d . . .
O28 O 0.5759(3) 1.1019(3) -0.0394(2) 0.0327(12) Uani 1 1 d . . .
C28 C 0.2185(6) 1.4507(5) -0.2339(4) 0.052(2) Uani 1 1 d . . .
H28A H 0.2171 1.4603 -0.2735 0.062 Uiso 1 1 calc R . .
H28B H 0.2586 1.4205 -0.2254 0.062 Uiso 1 1 calc R . .
O29 O 0.4288(3) 1.0753(3) -0.0061(2) 0.0323(12) Uani 1 1 d . . .
C29 C -0.1631(5) 1.8597(5) -0.4121(4) 0.048(2) Uani 1 1 d . . .
O30 O 0.5256(3) 1.1471(3) 0.0724(3) 0.0401(14) Uani 1 1 d . . .
C30 C -0.2128(6) 1.9057(6) -0.3937(4) 0.064(3) Uani 1 1 d . . .
H30 H -0.2100 1.9508 -0.4016 0.077 Uiso 1 1 calc R . .
O31 O 0.4717(3) 1.0411(3) 0.0783(2) 0.0319(12) Uani 1 1 d . . .
C31 C -0.2654(7) 1.8848(7) -0.3644(5) 0.078(4) Uani 1 1 d . . .
H31 H -0.3011 1.9146 -0.3545 0.093 Uiso 1 1 calc R . .
O32 O 0.2677(3) 0.8669(3) -0.0378(2) 0.0371(13) Uani 1 1 d . . .
C32 C -0.2673(6) 1.8214(6) -0.3490(5) 0.064(3) Uani 1 1 d . . .
H32 H -0.3036 1.8086 -0.3281 0.077 Uiso 1 1 calc R . .
O33 O 0.3596(3) 0.9505(3) -0.0875(2) 0.0351(13) Uani 1 1 d . . .
C33 C -0.2167(5) 1.7764(5) -0.3637(4) 0.050(2) Uani 1 1 d . . .
O34 O 0.4096(3) 0.9504(3) -0.1959(2) 0.0389(14) Uani 1 1 d . . .
C34 C -0.1650(5) 1.7954(5) -0.3955(4) 0.048(2) Uani 1 1 d . . .
O35 O 0.4442(3) 1.1647(3) -0.0922(2) 0.0370(13) Uani 1 1 d . . .
C35 C -0.2184(5) 1.7084(5) -0.3446(4) 0.056(3) Uani 1 1 d . . .
H35A H -0.2288 1.7166 -0.3045 0.068 Uiso 1 1 calc R . .
H35B H -0.1658 1.6948 -0.3397 0.068 Uiso 1 1 calc R . .
O36 O 0.6742(3) 1.1435(3) -0.1871(3) 0.0470(14) Uani 1 1 d U . .
C36 C -0.2792(6) 1.6479(6) -0.3884(5) 0.073(3) Uani 1 1 d . . .
O37 O 0.1362(3) 1.0071(3) -0.1864(3) 0.0527(17) Uani 1 1 d . . .
C37 C -0.3546(7) 1.6331(9) -0.3800(7) 0.128(7) Uani 1 1 d . . .
H37 H -0.3657 1.6609 -0.3456 0.153 Uiso 1 1 calc R . .
O38 O 0.3118(3) 1.0786(3) 0.0658(2) 0.0378(13) Uani 1 1 d . . .
C38 C -0.4111(8) 1.5811(9) -0.4189(8) 0.149(8) Uani 1 1 d . . .
H38 H -0.4602 1.5711 -0.4108 0.179 Uiso 1 1 calc R . .
C39 C -0.3977(6) 1.5420(8) -0.4708(7) 0.122(6) Uani 1 1 d . . .
H39 H -0.4389 1.5067 -0.4987 0.147 Uiso 1 1 calc R . .
C40 C -0.3252(6) 1.5531(6) -0.4833(5) 0.072(3) Uani 1 1 d . . .
C41 C -0.2661(5) 1.6035(5) -0.4402(5) 0.056(3) Uani 1 1 d . . .
C42 C -0.3131(5) 1.5135(5) -0.5408(5) 0.058(3) Uani 1 1 d . . .
H42A H -0.3471 1.4666 -0.5549 0.070 Uiso 1 1 calc R . .
H42B H -0.2576 1.5067 -0.5336 0.070 Uiso 1 1 calc R . .
C43 C -0.3328(5) 1.5528(6) -0.5889(5) 0.063(3) Uani 1 1 d . . .
C44 C -0.4122(7) 1.5473(9) -0.6246(8) 0.121(6) Uani 1 1 d . . .
H44 H -0.4526 1.5160 -0.6191 0.145 Uiso 1 1 calc R . .
C45 C -0.4315(7) 1.5847(9) -0.6655(9) 0.143(8) Uani 1 1 d . . .
H45 H -0.4849 1.5796 -0.6883 0.172 Uiso 1 1 calc R . .
C46 C -0.3762(6) 1.6292(7) -0.6744(6) 0.092(4) Uani 1 1 d . . .
H46 H -0.3918 1.6550 -0.7036 0.111 Uiso 1 1 calc R . .
C47 C -0.2966(5) 1.6393(5) -0.6429(4) 0.056(3) Uani 1 1 d . . .
C48 C -0.2755(5) 1.5992(5) -0.6015(4) 0.053(2) Uani 1 1 d . . .
C49 C -0.2369(5) 1.6922(5) -0.6530(4) 0.051(2) Uani 1 1 d . . .
H49A H -0.1851 1.6765 -0.6451 0.062 Uiso 1 1 calc R . .
H49B H -0.2531 1.6941 -0.6959 0.062 Uiso 1 1 calc R . .
C50 C -0.2285(5) 1.7648(5) -0.6124(4) 0.046(2) Uani 1 1 d . . .
C51 C -0.2765(5) 1.8109(6) -0.6316(4) 0.055(3) Uani 1 1 d . . .
H51 H -0.3145 1.7958 -0.6703 0.066 Uiso 1 1 calc R . .
C52 C -0.2708(6) 1.8782(5) -0.5962(4) 0.056(3) Uani 1 1 d . . .
H52 H -0.3035 1.9093 -0.6105 0.067 Uiso 1 1 calc R . .
C53 C -0.2156(5) 1.8992(5) -0.5390(4) 0.049(2) Uani 1 1 d . . .
H53 H -0.2122 1.9449 -0.5141 0.058 Uiso 1 1 calc R . .
C54 C -0.1667(5) 1.8565(5) -0.5175(4) 0.045(2) Uani 1 1 d . . .
C55 C -0.1725(5) 1.7875(5) -0.5538(4) 0.050(2) Uani 1 1 d . . .
C56 C -0.1159(5) 1.8768(5) -0.4529(4) 0.051(2) Uani 1 1 d . . .
H56A H -0.0710 1.8510 -0.4493 0.061 Uiso 1 1 calc R . .
H56B H -0.0946 1.9278 -0.4405 0.061 Uiso 1 1 calc R . .
C57 C 0.0827(9) 1.5568(7) -0.0351(5) 0.109(5) Uani 1 1 d . . .
H57A H 0.1396 1.5712 -0.0272 0.164 Uiso 1 1 calc R . .
H57B H 0.0731 1.5207 -0.0139 0.164 Uiso 1 1 calc R . .
H57C H 0.0597 1.5977 -0.0204 0.164 Uiso 1 1 calc R . .
C58 C -0.0336(8) 1.4940(7) -0.1175(6) 0.105(5) Uani 1 1 d . . .
H58A H -0.0520 1.4750 -0.1617 0.157 Uiso 1 1 calc R . .
H58B H -0.0662 1.5280 -0.1049 0.157 Uiso 1 1 calc R . .
H58C H -0.0376 1.4555 -0.0978 0.157 Uiso 1 1 calc R . .
C59 C 0.0777(7) 1.5439(5) -0.1403(5) 0.070(3) Uani 1 1 d . . .
H59 H 0.1305 1.5684 -0.1248 0.084 Uiso 1 1 calc R . .
C60 C -0.4328(8) 1.8139(8) -0.5193(8) 0.131(5) Uani 1 1 d DU A .
H60A H -0.3925 1.8546 -0.5135 0.196 Uiso 1 1 calc R . .
H60B H -0.4598 1.8235 -0.4877 0.196 Uiso 1 1 calc R . .
H60C H -0.4711 1.8050 -0.5593 0.196 Uiso 1 1 calc R . .
C61 C -0.4347(13) 1.7037(14) -0.4880(13) 0.110(7) Uani 0.50 1 d PDU A 1
H61A H -0.3945 1.6819 -0.4653 0.165 Uiso 0.50 1 calc PR A 1
H61B H -0.4734 1.6671 -0.5202 0.165 Uiso 0.50 1 calc PR A 1
H61C H -0.4613 1.7292 -0.4604 0.165 Uiso 0.50 1 calc PR A 1
C62 C -0.3233(6) 1.7516(7) -0.5112(5) 0.080(3) Uani 1 1 d U A .
H62 H -0.2955 1.7939 -0.5141 0.096 Uiso 1 1 calc R . .
C63 C -0.3023(10) 1.3561(9) -0.4649(7) 0.140(6) Uani 1 1 d U . .
H63A H -0.2511 1.3595 -0.4735 0.210 Uiso 1 1 calc R . .
H63B H -0.3429 1.3602 -0.5002 0.210 Uiso 1 1 calc R . .
H63C H -0.3153 1.3106 -0.4565 0.210 Uiso 1 1 calc R . .
C64 C -0.3603(9) 1.3985(10) -0.3863(7) 0.151(6) Uani 1 1 d U . .
H64A H -0.3453 1.4305 -0.3455 0.227 Uiso 1 1 calc R . .
H64B H -0.3675 1.3497 -0.3834 0.227 Uiso 1 1 calc R . .
H64C H -0.4097 1.4078 -0.4104 0.227 Uiso 1 1 calc R . .
C65 C -0.2453(6) 1.4664(7) -0.3965(5) 0.080(3) Uani 1 1 d U . .
H65 H -0.2483 1.5017 -0.3629 0.097 Uiso 1 1 calc R . .
C66 C 0.8359(4) 1.1956(5) -0.0811(4) 0.039(2) Uani 1 1 d . . .
C67 C 0.8920(5) 1.2290(5) -0.1026(4) 0.050(2) Uani 1 1 d . . .
H67 H 0.9352 1.2066 -0.1083 0.060 Uiso 1 1 calc R . .
C68 C 0.8870(5) 1.2922(5) -0.1158(4) 0.054(3) Uani 1 1 d . . .
H68 H 0.9261 1.3128 -0.1309 0.065 Uiso 1 1 calc R . .
C69 C 0.8260(5) 1.3266(5) -0.1075(4) 0.052(2) Uani 1 1 d . . .
H69 H 0.8236 1.3713 -0.1158 0.062 Uiso 1 1 calc R . .
C70 C 0.7665(5) 1.2950(5) -0.0864(4) 0.045(2) Uani 1 1 d . . .
C71 C 0.7723(4) 1.2302(5) -0.0729(4) 0.038(2) Uani 1 1 d . . .
C72 C 0.6963(5) 1.3304(5) -0.0814(4) 0.046(2) Uani 1 1 d . . .
H72A H 0.7131 1.3821 -0.0689 0.056 Uiso 1 1 calc R . .
H72B H 0.6745 1.3164 -0.0502 0.056 Uiso 1 1 calc R . .
C73 C 0.6325(5) 1.3086(5) -0.1434(5) 0.054(3) Uani 1 1 d . . .
C74 C 0.6327(6) 1.3473(6) -0.1866(6) 0.068(3) Uani 1 1 d . . .
H74 H 0.6707 1.3889 -0.1764 0.082 Uiso 1 1 calc R . .
C75 C 0.5798(7) 1.3266(7) -0.2430(6) 0.085(4) Uani 1 1 d . . .
H75 H 0.5800 1.3543 -0.2711 0.102 Uiso 1 1 calc R . .
C76 C 0.5263(6) 1.2654(7) -0.2586(5) 0.081(4) Uani 1 1 d . . .
H76 H 0.4906 1.2506 -0.2982 0.097 Uiso 1 1 calc R . .
C77 C 0.5228(5) 1.2243(5) -0.2177(4) 0.051(2) Uani 1 1 d . . .
C78 C 0.5753(5) 1.2473(5) -0.1596(4) 0.050(2) Uani 1 1 d . . .
C79 C 0.4635(5) 1.1557(5) -0.2366(4) 0.053(3) Uani 1 1 d . . .
H79A H 0.4451 1.1506 -0.2012 0.063 Uiso 1 1 calc R . .
H79B H 0.4173 1.1596 -0.2686 0.063 Uiso 1 1 calc R . .
C80 C 0.4937(4) 1.0897(6) -0.2597(4) 0.049(3) Uani 1 1 d . . .
C81 C 0.4880(6) 1.0663(7) -0.3215(5) 0.072(3) Uani 1 1 d . . .
H81 H 0.4637 1.0919 -0.3486 0.087 Uiso 1 1 calc R . .
C82 C 0.5164(6) 1.0078(8) -0.3441(5) 0.087(4) Uani 1 1 d . . .
H82 H 0.5135 0.9938 -0.3859 0.105 Uiso 1 1 calc R . .
C83 C 0.5490(5) 0.9696(7) -0.3054(4) 0.070(3) Uani 1 1 d . . .
H83 H 0.5672 0.9281 -0.3214 0.084 Uiso 1 1 calc R . .
C84 C 0.5565(5) 0.9890(5) -0.2441(4) 0.050(2) Uani 1 1 d . . .
C85 C 0.5268(4) 1.0496(5) -0.2211(4) 0.046(2) Uani 1 1 d . . .
C86 C 0.5982(4) 0.9492(5) -0.2020(4) 0.043(2) Uani 1 1 d . . .
H86A H 0.5871 0.8985 -0.2229 0.051 Uiso 1 1 calc R . .
H86B H 0.5781 0.9552 -0.1660 0.051 Uiso 1 1 calc R . .
C87 C 0.6877(5) 0.9755(5) -0.1815(4) 0.043(2) Uani 1 1 d . . .
C88 C 0.7335(5) 0.9457(5) -0.2179(4) 0.046(2) Uani 1 1 d . . .
H88 H 0.7094 0.9069 -0.2520 0.055 Uiso 1 1 calc R . .
C89 C 0.8126(5) 0.9716(5) -0.2051(4) 0.053(3) Uani 1 1 d . . .
H89 H 0.8429 0.9506 -0.2297 0.063 Uiso 1 1 calc R . .
C90 C 0.8469(5) 1.0284(6) -0.1561(4) 0.051(3) Uani 1 1 d . . .
H90 H 0.9015 1.0462 -0.1474 0.062 Uiso 1 1 calc R . .
C91 C 0.8045(4) 1.0605(5) -0.1188(4) 0.039(2) Uani 1 1 d . . .
C92 C 0.7228(4) 1.0303(4) -0.1315(4) 0.036(2) Uani 1 1 d . . .
C93 C 0.8422(4) 1.1264(5) -0.0660(4) 0.041(2) Uani 1 1 d . . .
H93A H 0.8173 1.1245 -0.0331 0.049 Uiso 1 1 calc R . .
H93B H 0.8987 1.1244 -0.0499 0.049 Uiso 1 1 calc R . .
C94 C 0.0552(4) 0.8950(4) -0.1323(4) 0.038(2) Uani 1 1 d . . .
C95 C -0.0246(4) 0.8839(4) -0.1589(4) 0.039(2) Uani 1 1 d . . .
H95 H -0.0583 0.8994 -0.1351 0.047 Uiso 1 1 calc R . .
C96 C -0.0569(5) 0.8498(5) -0.2206(4) 0.048(2) Uani 1 1 d . . .
H96 H -0.1123 0.8424 -0.2385 0.057 Uiso 1 1 calc R . .
C97 C -0.0093(4) 0.8275(5) -0.2545(4) 0.043(2) Uani 1 1 d . . .
H97 H -0.0323 0.8054 -0.2964 0.052 Uiso 1 1 calc R . .
C98 C 0.0725(4) 0.8356(4) -0.2308(4) 0.037(2) Uani 1 1 d . . .
C99 C 0.1035(4) 0.8702(4) -0.1682(4) 0.037(2) Uani 1 1 d . . .
C100 C 0.1252(4) 0.8137(5) -0.2701(4) 0.041(2) Uani 1 1 d . . .
H10A H 0.0994 0.7686 -0.3003 0.050 Uiso 1 1 calc R . .
H10B H 0.1754 0.8063 -0.2445 0.050 Uiso 1 1 calc R . .
C101 C 0.1420(5) 0.8693(5) -0.3026(4) 0.049(2) Uani 1 1 d . . .
C102 C 0.0936(5) 0.8672(6) -0.3590(5) 0.070(3) Uani 1 1 d . . .
H102 H 0.0506 0.8295 -0.3790 0.084 Uiso 1 1 calc R . .
C103 C 0.1081(6) 0.9202(7) -0.3858(5) 0.091(4) Uani 1 1 d . . .
H103 H 0.0762 0.9177 -0.4254 0.110 Uiso 1 1 calc R . .
C104 C 0.1671(5) 0.9764(7) -0.3571(5) 0.076(4) Uani 1 1 d . . .
H104 H 0.1737 1.0136 -0.3758 0.091 Uiso 1 1 calc R . .
C105 C 0.2177(5) 0.9797(6) -0.3008(4) 0.051(2) Uani 1 1 d . . .
C106 C 0.2059(4) 0.9255(5) -0.2745(4) 0.042(2) Uani 1 1 d . . .
C107 C 0.2831(5) 1.0421(5) -0.2694(4) 0.050(2) Uani 1 1 d . . .
H10C H 0.3300 1.0254 -0.2480 0.060 Uiso 1 1 calc R . .
H10D H 0.2976 1.0629 -0.3006 0.060 Uiso 1 1 calc R . .
C108 C 0.2627(4) 1.0987(5) -0.2244(4) 0.048(2) Uani 1 1 d . . .
C109 C 0.2241(6) 1.1525(6) -0.2444(5) 0.067(3) Uani 1 1 d . . .
H109 H 0.2127 1.1527 -0.2859 0.081 Uiso 1 1 calc R . .
C110 C 0.2034(6) 1.2034(7) -0.2051(6) 0.079(4) Uani 1 1 d . . .
H110 H 0.1761 1.2375 -0.2198 0.094 Uiso 1 1 calc R . .
C111 C 0.2217(5) 1.2061(5) -0.1437(5) 0.062(3) Uani 1 1 d . . .
H111 H 0.2082 1.2433 -0.1170 0.074 Uiso 1 1 calc R . .
C112 C 0.2590(5) 1.1564(5) -0.1203(4) 0.044(2) Uani 1 1 d . . .
C113 C 0.2809(4) 1.1035(5) -0.1611(4) 0.044(2) Uani 1 1 d . . .
C114 C 0.2722(4) 1.1566(5) -0.0545(4) 0.041(2) Uani 1 1 d . . .
H11A H 0.2866 1.2057 -0.0291 0.049 Uiso 1 1 calc R . .
H11B H 0.3163 1.1316 -0.0419 0.049 Uiso 1 1 calc R . .
C115 C 0.1982(4) 1.1207(5) -0.0449(4) 0.040(2) Uani 1 1 d . . .
C116 C 0.1415(5) 1.1601(5) -0.0305(4) 0.046(2) Uani 1 1 d . . .
H116 H 0.1520 1.2098 -0.0231 0.055 Uiso 1 1 calc R . .
C117 C 0.0708(5) 1.1278(5) -0.0268(4) 0.049(2) Uani 1 1 d . . .
H117 H 0.0339 1.1557 -0.0159 0.059 Uiso 1 1 calc R . .
C118 C 0.0531(5) 1.0550(5) -0.0388(4) 0.048(2) Uani 1 1 d . . .
H118 H 0.0034 1.0332 -0.0378 0.058 Uiso 1 1 calc R . .
C119 C 0.1087(4) 1.0138(4) -0.0525(4) 0.035(2) Uani 1 1 d . . .
C120 C 0.1829(4) 1.0478(5) -0.0523(3) 0.035(2) Uani 1 1 d . . .
C121 C 0.0892(4) 0.9341(4) -0.0659(4) 0.037(2) Uani 1 1 d . . .
H12A H 0.1378 0.9165 -0.0492 0.045 Uiso 1 1 calc R . .
H12B H 0.0510 0.9223 -0.0439 0.045 Uiso 1 1 calc R . .
C152 C 0.7169(14) 1.2209(12) -0.2631(11) 0.094(5) Uani 0.60 1 d PU B 1
H15A H 0.6657 1.2293 -0.2574 0.141 Uiso 0.60 1 calc PR B 1
H15B H 0.7213 1.2310 -0.3011 0.141 Uiso 0.60 1 calc PR B 1
H15C H 0.7591 1.2517 -0.2290 0.141 Uiso 0.60 1 calc PR B 1
C151 C 0.7533(14) 1.1083(13) -0.3140(11) 0.093(5) Uani 0.60 1 d PU B 1
H15D H 0.8110 1.1164 -0.3008 0.139 Uiso 0.60 1 calc PR B 1
H15E H 0.7352 1.1227 -0.3516 0.139 Uiso 0.60 1 calc PR B 1
H15F H 0.7329 1.0583 -0.3210 0.139 Uiso 0.60 1 calc PR B 1
C150 C 0.7011(9) 1.1185(10) -0.2275(7) 0.055(3) Uani 0.60 1 d PU B 1
H150 H 0.7068 1.0705 -0.2325 0.066 Uiso 0.60 1 calc PR B 1
C125 C -0.0119(10) 1.1076(10) -0.2255(9) 0.063(5) Uani 0.60 1 d P C 2
H12C H 0.0017 1.1332 -0.1827 0.094 Uiso 0.60 1 calc PR C 2
H12D H -0.0689 1.0905 -0.2408 0.094 Uiso 0.60 1 calc PR C 2
H12E H 0.0035 1.1391 -0.2490 0.094 Uiso 0.60 1 calc PR C 2
C126 C 0.0093(11) 0.9982(11) -0.2907(9) 0.082(7) Uani 0.60 1 d P C 2
H12F H 0.0276 0.9542 -0.2858 0.123 Uiso 0.60 1 calc PR C 2
H12G H 0.0348 1.0176 -0.3174 0.123 Uiso 0.60 1 calc PR C 2
H12H H -0.0480 0.9887 -0.3087 0.123 Uiso 0.60 1 calc PR C 2
C127 C 0.0920(9) 1.0485(11) -0.1856(9) 0.045(4) Uani 0.60 1 d P C 2
H127 H 0.1019 1.0847 -0.1493 0.054 Uiso 0.60 1 calc PR C 2
C128 C 0.0406(17) 1.1167(19) -0.1903(13) 0.091(11) Uani 0.40 1 d P C 1
H12I H 0.0767 1.1173 -0.1511 0.136 Uiso 0.40 1 calc PR C 1
H12J H -0.0102 1.1265 -0.1847 0.136 Uiso 0.40 1 calc PR C 1
H12K H 0.0630 1.1528 -0.2069 0.136 Uiso 0.40 1 calc PR C 1
C129 C -0.0389(15) 1.0241(17) -0.2856(12) 0.068(8) Uani 0.40 1 d P C 1
H12L H -0.0313 1.0478 -0.3166 0.102 Uiso 0.40 1 calc PR C 1
H12M H -0.0866 1.0350 -0.2746 0.102 Uiso 0.40 1 calc PR C 1
H12N H -0.0445 0.9731 -0.3015 0.102 Uiso 0.40 1 calc PR C 1
C130 C 0.0817(12) 1.0064(15) -0.2177(14) 0.045(6) Uani 0.40 1 d P C 1
H130 H 0.0638 0.9609 -0.2449 0.054 Uiso 0.40 1 calc PR C 1
C131 C 0.2240(6) 1.2069(6) 0.1472(6) 0.076(3) Uani 1 1 d . . .
H13A H 0.1715 1.1786 0.1269 0.114 Uiso 1 1 calc R . .
H13B H 0.2244 1.2544 0.1412 0.114 Uiso 1 1 calc R . .
H13C H 0.2373 1.2097 0.1907 0.114 Uiso 1 1 calc R . .
C132 C 0.3603(6) 1.2155(6) 0.1358(6) 0.088(4) Uani 1 1 d . . .
H13D H 0.3910 1.1892 0.1124 0.132 Uiso 1 1 calc R . .
H13E H 0.3867 1.2243 0.1793 0.132 Uiso 1 1 calc R . .
H13F H 0.3560 1.2604 0.1253 0.132 Uiso 1 1 calc R . .
C133 C 0.2651(5) 1.1101(5) 0.0884(4) 0.050(2) Uani 1 1 d . . .
H133 H 0.2134 1.0850 0.0808 0.060 Uiso 1 1 calc R . .
O218 O 0.4646(4) 1.2513(4) 0.0206(3) 0.075(2) Uani 1 1 d . . .
O224 O -0.1055(4) 1.2743(4) -0.4681(4) 0.0349(18) Uani 0.70 1 d PU D 1
C153 C 0.6956(14) 1.1742(16) -0.2181(11) 0.060(3) Uani 0.40 1 d PU B 2
H153 H 0.6932 1.2230 -0.2088 0.072 Uiso 0.40 1 calc PR B 2
C61A C -0.4520(15) 1.6970(15) -0.5588(14) 0.134(8) Uani 0.50 1 d PDU A 2
H61D H -0.4307 1.6792 -0.5926 0.201 Uiso 0.50 1 calc PR A 2
H61E H -0.5013 1.7134 -0.5741 0.201 Uiso 0.50 1 calc PR A 2
H61F H -0.4622 1.6593 -0.5394 0.201 Uiso 0.50 1 calc PR A 2
C154 C 0.763(2) 1.211(2) -0.2820(17) 0.104(7) Uani 0.40 1 d PU B 2
H15G H 0.7231 1.2314 -0.3066 0.157 Uiso 0.40 1 calc PR B 2
H15H H 0.7986 1.1939 -0.3054 0.157 Uiso 0.40 1 calc PR B 2
H15I H 0.7931 1.2467 -0.2450 0.157 Uiso 0.40 1 calc PR B 2
C155 C 0.7292(19) 1.0874(18) -0.2883(15) 0.086(6) Uani 0.40 1 d PU B 2
H15J H 0.7849 1.0826 -0.2790 0.129 Uiso 0.40 1 calc PR B 2
H15K H 0.7060 1.0753 -0.3324 0.129 Uiso 0.40 1 calc PR B 2
H15L H 0.7012 1.0556 -0.2709 0.129 Uiso 0.40 1 calc PR B 2
O225 O -0.1015(11) 1.2231(11) -0.5055(9) 0.049(4) Uani 0.30 1 d PU E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N -0.0031 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O -0.0041 0.0074 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.3538 5.1228 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.2237 0.8587 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O38 Dy1 O33 132.81(19) . .
O38 Dy1 O32 129.33(18) . .
O33 Dy1 O32 74.13(18) . .
O38 Dy1 O28 132.01(18) . 2_675
O33 Dy1 O28 90.92(17) . 2_675
O32 Dy1 O28 73.51(17) . 2_675
O38 Dy1 O23 76.67(18) . 2_675
O33 Dy1 O23 148.63(19) . 2_675
O32 Dy1 O23 77.69(18) . 2_675
O28 Dy1 O23 67.83(17) 2_675 2_675
O38 Dy1 O27 75.93(17) . .
O33 Dy1 O27 68.93(17) . .
O32 Dy1 O27 79.66(18) . .
O28 Dy1 O27 150.11(18) 2_675 .
O23 Dy1 O27 119.11(17) 2_675 .
O38 Dy1 O31 77.75(17) . .
O33 Dy1 O31 107.13(17) . .
O32 Dy1 O31 143.19(18) . .
O28 Dy1 O31 69.69(17) 2_675 .
O23 Dy1 O31 87.50(18) 2_675 .
O27 Dy1 O31 136.15(18) . .
O38 Dy1 O29 78.05(18) . .
O33 Dy1 O29 69.25(18) . .
O32 Dy1 O29 143.36(17) . .
O28 Dy1 O29 107.86(16) 2_675 .
O23 Dy1 O29 137.88(17) 2_675 .
O27 Dy1 O29 86.05(17) . .
O31 Dy1 O29 54.38(17) . .
O38 Dy1 N8 72.0(2) . .
O33 Dy1 N8 91.5(2) . .
O32 Dy1 N8 158.7(2) . .
O28 Dy1 N8 91.5(2) 2_675 .
O23 Dy1 N8 111.1(2) 2_675 .
O27 Dy1 N8 110.2(2) . .
O31 Dy1 N8 27.1(2) . .
O29 Dy1 N8 28.0(2) . .
O38 Dy1 Mn5 105.34(13) . .
O33 Dy1 Mn5 38.38(12) . .
O32 Dy1 Mn5 68.66(13) . .
O28 Dy1 Mn5 122.64(13) 2_675 .
O23 Dy1 Mn5 137.61(12) 2_675 .
O27 Dy1 Mn5 31.40(12) . .
O31 Dy1 Mn5 134.78(13) . .
O29 Dy1 Mn5 81.63(12) . .
N8 Dy1 Mn5 109.58(19) . .
O38 Dy1 Mn6 104.99(13) . 2_675
O33 Dy1 Mn6 122.20(13) . 2_675
O32 Dy1 Mn6 68.09(13) . 2_675
O28 Dy1 Mn6 37.62(12) 2_675 2_675
O23 Dy1 Mn6 30.80(12) 2_675 2_675
O27 Dy1 Mn6 138.75(13) . 2_675
O31 Dy1 Mn6 81.93(13) . 2_675
O29 Dy1 Mn6 135.03(11) . 2_675
N8 Dy1 Mn6 108.99(19) . 2_675
Mn5 Dy1 Mn6 136.53(3) . 2_675
O38 Dy1 Dy2 106.95(12) . 2_675
O33 Dy1 Dy2 99.32(11) . 2_675
O32 Dy1 Dy2 108.68(12) . 2_675
O28 Dy1 Dy2 35.18(12) 2_675 2_675
O23 Dy1 Dy2 76.87(11) 2_675 2_675
O27 Dy1 Dy2 163.71(12) . 2_675
O31 Dy1 Dy2 34.58(13) . 2_675
O29 Dy1 Dy2 79.04(11) . 2_675
N8 Dy1 Dy2 57.36(18) . 2_675
Mn5 Dy1 Dy2 137.65(2) . 2_675
Mn6 Dy1 Dy2 56.838(19) 2_675 2_675
C6 O1 Mn8 114.8(5) . .
C6 O1 Dy4 134.5(5) . .
Mn8 O1 Dy4 110.7(2) . .
C59 N1 C58 120.4(7) . .
C59 N1 C57 122.9(8) . .
C58 N1 C57 115.4(8) . .
C2 C1 C6 117.2(9) . .
C2 C1 C28 120.8(9) . .
C6 C1 C28 122.0(8) . .
O29 Dy2 O31 94.92(17) . 2_675
O29 Dy2 O26 86.39(17) . .
O31 Dy2 O26 141.62(19) 2_675 .
O29 Dy2 O22 142.13(18) . .
O31 Dy2 O22 87.01(18) 2_675 .
O26 Dy2 O22 114.74(18) . .
O29 Dy2 O28 76.69(17) . .
O31 Dy2 O28 70.35(17) 2_675 .
O26 Dy2 O28 145.75(18) . .
O22 Dy2 O28 68.40(17) . .
O29 Dy2 O34 143.90(18) . .
O31 Dy2 O34 77.86(18) 2_675 .
O26 Dy2 O34 78.84(18) . .
O22 Dy2 O34 73.45(19) . .
O28 Dy2 O34 130.77(17) . .
O29 Dy2 O35 78.71(18) . .
O31 Dy2 O35 144.66(17) 2_675 .
O26 Dy2 O35 73.23(18) . .
O22 Dy2 O35 78.21(19) . .
O28 Dy2 O35 74.37(16) . .
O34 Dy2 O35 126.47(18) . .
O29 Dy2 O33 69.53(17) . .
O31 Dy2 O33 76.23(17) 2_675 .
O26 Dy2 O33 68.35(18) . .
O22 Dy2 O33 146.19(19) . .
O28 Dy2 O33 129.48(17) . .
O34 Dy2 O33 74.41(18) . .
O35 Dy2 O33 130.83(16) . .
O29 Dy2 Mn6 111.15(12) . .
O31 Dy2 Mn6 82.84(12) 2_675 .
O26 Dy2 Mn6 132.24(13) . .
O22 Dy2 Mn6 31.49(13) . .
O28 Dy2 Mn6 37.77(12) . .
O34 Dy2 Mn6 103.05(13) . .
O35 Dy2 Mn6 67.81(11) . .
O33 Dy2 Mn6 159.00(12) . .
O29 Dy2 Mn5 82.04(12) . .
O31 Dy2 Mn5 111.00(13) 2_675 .
O26 Dy2 Mn5 31.11(14) . .
O22 Dy2 Mn5 132.29(12) . .
O28 Dy2 Mn5 158.71(12) . .
O34 Dy2 Mn5 68.34(12) . .
O35 Dy2 Mn5 102.55(11) . .
O33 Dy2 Mn5 38.09(12) . .
Mn6 Dy2 Mn5 160.58(3) . .
O29 Dy2 Dy1 83.10(11) . 2_675
O31 Dy2 Dy1 35.78(12) 2_675 2_675
O26 Dy2 Dy1 168.52(13) . 2_675
O22 Dy2 Dy1 76.61(12) . 2_675
O28 Dy2 Dy1 34.65(12) . 2_675
O34 Dy2 Dy1 107.25(12) . 2_675
O35 Dy2 Dy1 109.01(11) . 2_675
O33 Dy2 Dy1 103.43(11) . 2_675
Mn6 Dy2 Dy1 56.83(2) . 2_675
Mn5 Dy2 Dy1 141.52(2) . 2_675
O29 Dy2 Dy1 35.86(13) . .
O31 Dy2 Dy1 82.78(13) 2_675 .
O26 Dy2 Dy1 76.07(13) . .
O22 Dy2 Dy1 169.00(12) . .
O28 Dy2 Dy1 104.08(12) . .
O34 Dy2 Dy1 108.15(13) . .
O35 Dy2 Dy1 108.06(13) . .
O33 Dy2 Dy1 33.75(12) . .
Mn6 Dy2 Dy1 141.84(2) . .
Mn5 Dy2 Dy1 56.22(2) . .
Dy1 Dy2 Dy1 92.656(13) 2_675 .
C13 O2 Mn8 121.5(5) . .
C13 O2 Dy3 129.9(5) . .
Mn8 O2 Dy3 108.6(2) . .
C62 N2 C60 125.2(9) . .
C62 N2 C61A 116.2(14) . .
C60 N2 C61A 104.4(15) . .
C62 N2 C61 114.8(11) . .
C60 N2 C61 114.5(13) . .
C61A N2 C61 66.1(17) . .
C3 C2 C1 123.5(10) . .
C3 C2 H2 118.3 . .
C1 C2 H2 118.3 . .
O19 Dy3 O16 129.0(2) . .
O19 Dy3 O9 131.45(19) . .
O16 Dy3 O9 74.10(19) . .
O19 Dy3 O14 133.0(2) . .
O16 Dy3 O14 73.97(19) . .
O9 Dy3 O14 91.36(18) . .
O19 Dy3 O6 75.5(2) . .
O16 Dy3 O6 78.50(19) . .
O9 Dy3 O6 68.26(18) . .
O14 Dy3 O6 149.44(19) . .
O19 Dy3 O2 76.47(19) . .
O16 Dy3 O2 78.0(2) . .
O9 Dy3 O2 149.57(18) . .
O14 Dy3 O2 69.26(18) . .
O6 Dy3 O2 117.61(19) . .
O19 Dy3 O10 78.96(19) . .
O16 Dy3 O10 142.49(19) . .
O9 Dy3 O10 68.39(18) . .
O14 Dy3 O10 106.63(19) . .
O6 Dy3 O10 87.37(19) . .
O2 Dy3 O10 138.44(19) . .
O19 Dy3 O12 78.3(2) . .
O16 Dy3 O12 143.21(18) . .
O9 Dy3 O12 107.87(18) . .
O14 Dy3 O12 69.28(18) . .
O6 Dy3 O12 137.40(18) . .
O2 Dy3 O12 87.56(19) . .
O10 Dy3 O12 54.74(18) . .
O19 Dy3 N4 73.5(2) . .
O16 Dy3 N4 157.5(2) . .
O9 Dy3 N4 90.2(2) . .
O14 Dy3 N4 90.8(2) . .
O6 Dy3 N4 111.0(2) . .
O2 Dy3 N4 112.5(2) . .
O10 Dy3 N4 27.2(2) . .
O12 Dy3 N4 28.0(2) . .
O19 Dy3 Mn8 105.68(15) . .
O16 Dy3 Mn8 67.90(14) . .
O9 Dy3 Mn8 122.84(12) . .
O14 Dy3 Mn8 38.39(13) . .
O6 Dy3 Mn8 137.33(14) . .
O2 Dy3 Mn8 31.56(12) . .
O10 Dy3 Mn8 135.22(14) . .
O12 Dy3 Mn8 82.07(13) . .
N4 Dy3 Mn8 110.00(19) . .
O19 Dy3 Mn7 104.86(16) . .
O16 Dy3 Mn7 68.27(14) . .
O9 Dy3 Mn7 37.30(12) . .
O14 Dy3 Mn7 122.09(14) . .
O6 Dy3 Mn7 31.69(13) . .
O2 Dy3 Mn7 137.20(14) . .
O10 Dy3 Mn7 81.47(14) . .
O12 Dy3 Mn7 135.10(13) . .
N4 Dy3 Mn7 108.6(2) . .
Mn8 Dy3 Mn7 135.95(3) . .
O19 Dy3 Dy4 108.13(17) . .
O16 Dy3 Dy4 108.62(13) . .
O9 Dy3 Dy4 99.67(12) . .
O14 Dy3 Dy4 34.67(14) . .
O6 Dy3 Dy4 164.29(13) . .
O2 Dy3 Dy4 77.95(13) . .
O10 Dy3 Dy4 78.57(13) . .
O12 Dy3 Dy4 34.71(12) . .
N4 Dy3 Dy4 57.42(17) . .
Mn8 Dy3 Dy4 57.37(2) . .
Mn7 Dy3 Dy4 136.95(2) . .
C20 O3 Mn8 117.1(5) . .
C65 N3 C63 122.4(8) . .
C65 N3 C64 123.0(9) . .
C63 N3 C64 114.6(9) . .
C2 C3 C4 118.9(10) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
O10 Dy4 O12 94.98(19) 2_584 .
O10 Dy4 O1 142.9(2) 2_584 .
O12 Dy4 O1 85.63(19) . .
O10 Dy4 O14 77.23(19) 2_584 .
O12 Dy4 O14 70.31(19) . .
O1 Dy4 O14 68.0(2) . .
O10 Dy4 O7 86.4(2) 2_584 2_584
O12 Dy4 O7 141.45(19) . 2_584
O1 Dy4 O7 115.6(2) . 2_584
O14 Dy4 O7 146.10(19) . 2_584
O10 Dy4 O15 143.79(19) 2_584 .
O12 Dy4 O15 78.15(19) . .
O1 Dy4 O15 72.71(19) . .
O14 Dy4 O15 130.65(18) . .
O7 Dy4 O15 78.39(19) 2_584 .
O10 Dy4 O13 78.59(19) 2_584 .
O12 Dy4 O13 144.3(2) . .
O1 Dy4 O13 79.61(19) . .
O14 Dy4 O13 74.03(18) . .
O7 Dy4 O13 73.75(19) 2_584 .
O15 Dy4 O13 126.54(19) . .
O10 Dy4 O9 68.79(18) 2_584 2_584
O12 Dy4 O9 77.18(18) . 2_584
O1 Dy4 O9 145.89(18) . 2_584
O14 Dy4 O9 130.02(18) . 2_584
O7 Dy4 O9 67.44(17) 2_584 2_584
O15 Dy4 O9 75.02(19) . 2_584
O13 Dy4 O9 129.94(18) . 2_584
O10 Dy4 Mn7 81.87(14) 2_584 2_584
O12 Dy4 Mn7 110.62(14) . 2_584
O1 Dy4 Mn7 132.54(15) . 2_584
O14 Dy4 Mn7 159.05(14) . 2_584
O7 Dy4 Mn7 31.35(13) 2_584 2_584
O15 Dy4 Mn7 68.05(13) . 2_584
O13 Dy4 Mn7 103.23(14) . 2_584
O9 Dy4 Mn7 37.07(12) 2_584 2_584
O10 Dy4 Mn8 111.97(14) 2_584 .
O12 Dy4 Mn8 82.25(14) . .
O1 Dy4 Mn8 31.21(14) . .
O14 Dy4 Mn8 37.78(13) . .
O7 Dy4 Mn8 132.70(13) 2_584 .
O15 Dy4 Mn8 102.36(13) . .
O13 Dy4 Mn8 68.37(14) . .
O9 Dy4 Mn8 159.37(12) 2_584 .
Mn7 Dy4 Mn8 160.82(3) 2_584 .
O10 Dy4 Dy3 83.12(14) 2_584 .
O12 Dy4 Dy3 36.03(14) . .
O1 Dy4 Dy3 75.75(14) . .
O14 Dy4 Dy3 34.39(13) . .
O7 Dy4 Dy3 168.55(14) 2_584 .
O15 Dy4 Dy3 107.74(13) . .
O13 Dy4 Dy3 108.40(14) . .
O9 Dy4 Dy3 104.28(12) 2_584 .
Mn7 Dy4 Dy3 141.32(2) 2_584 .
Mn8 Dy4 Dy3 56.46(2) . .
O10 Dy4 Dy3 34.86(13) 2_584 2_584
O12 Dy4 Dy3 83.52(13) . 2_584
O1 Dy4 Dy3 168.33(14) . 2_584
O14 Dy4 Dy3 104.08(13) . 2_584
O7 Dy4 Dy3 75.83(14) 2_584 2_584
O15 Dy4 Dy3 109.03(14) . 2_584
O13 Dy4 Dy3 107.04(14) . 2_584
O9 Dy4 Dy3 34.02(13) 2_584 2_584
Mn7 Dy4 Dy3 56.25(2) 2_584 2_584
Mn8 Dy4 Dy3 141.85(3) . 2_584
Dy3 Dy4 Dy3 92.902(12) . 2_584
C27 O4 Mn8 123.5(5) . .
O11 N4 O10 124.0(8) . .
O11 N4 O12 120.3(9) . .
O10 N4 O12 115.5(8) . .
O11 N4 Dy3 163.8(6) . .
O10 N4 Dy3 58.1(4) . .
O12 N4 Dy3 58.8(4) . .
C3 C4 C5 122.2(10) . .
C3 C4 H4 118.9 . .
C5 C4 H4 118.9 . .
O25 Mn5 O24 91.7(2) . .
O25 Mn5 O27 175.6(2) . .
O24 Mn5 O27 89.4(2) . .
O25 Mn5 O26 87.8(2) . .
O24 Mn5 O26 175.0(2) . .
O27 Mn5 O26 90.7(2) . .
O25 Mn5 O33 96.59(19) . .
O24 Mn5 O33 96.4(2) . .
O27 Mn5 O33 79.03(18) . .
O26 Mn5 O33 78.7(2) . .
O25 Mn5 O37 91.7(2) . .
O24 Mn5 O37 93.0(2) . .
O27 Mn5 O37 92.5(2) . .
O26 Mn5 O37 91.9(2) . .
O33 Mn5 O37 167.2(2) . .
O25 Mn5 Dy1 135.99(15) . .
O24 Mn5 Dy1 86.81(15) . .
O27 Mn5 Dy1 39.82(14) . .
O26 Mn5 Dy1 90.10(16) . .
O33 Mn5 Dy1 40.25(13) . .
O37 Mn5 Dy1 132.27(17) . .
O25 Mn5 Dy2 85.70(15) . .
O24 Mn5 Dy2 136.76(15) . .
O27 Mn5 Dy2 90.55(15) . .
O26 Mn5 Dy2 38.26(14) . .
O33 Mn5 Dy2 41.47(14) . .
O37 Mn5 Dy2 130.16(16) . .
Dy1 Mn5 Dy2 66.74(2) . .
C34 O5 Mn7 117.7(5) . .
C155 N5 C150 78.7(17) . .
C155 N5 C153 127(2) . .
C150 N5 C153 48.6(12) . .
C155 N5 C152 157.8(18) . .
C150 N5 C152 122.1(12) . .
C153 N5 C152 73.6(15) . .
C155 N5 C154 121(2) . .
C150 N5 C154 154.7(16) . .
C153 N5 C154 110.9(19) . .
C152 N5 C154 42.4(15) . .
C155 N5 C151 39.2(15) . .
C150 N5 C151 117.5(12) . .
C153 N5 C151 166.0(16) . .
C152 N5 C151 120.3(13) . .
C154 N5 C151 82.3(17) . .
C4 C5 C6 117.4(10) . .
C4 C5 C7 120.5(9) . .
C6 C5 C7 122.1(9) . .
O21 Mn6 O20 90.5(2) . .
O21 Mn6 O23 176.0(2) . .
O20 Mn6 O23 89.3(2) . .
O21 Mn6 O22 88.5(2) . .
O20 Mn6 O22 176.1(2) . .
O23 Mn6 O22 91.4(2) . .
O21 Mn6 O28 98.1(2) . .
O20 Mn6 O28 97.3(2) . .
O23 Mn6 O28 77.9(2) . .
O22 Mn6 O28 79.1(2) . .
O21 Mn6 O36 90.9(2) . .
O20 Mn6 O36 92.4(2) . .
O23 Mn6 O36 93.1(2) . .
O22 Mn6 O36 91.4(2) . .
O28 Mn6 O36 166.6(2) . .
O21 Mn6 Dy1 137.76(17) . 2_675
O20 Mn6 Dy1 88.32(16) . 2_675
O23 Mn6 Dy1 38.25(15) . 2_675
O22 Mn6 Dy1 89.82(16) . 2_675
O28 Mn6 Dy1 40.42(12) . 2_675
O36 Mn6 Dy1 131.30(15) . 2_675
O21 Mn6 Dy2 87.10(16) . .
O20 Mn6 Dy2 137.22(16) . .
O23 Mn6 Dy2 90.32(15) . .
O22 Mn6 Dy2 38.91(15) . .
O28 Mn6 Dy2 41.24(12) . .
O36 Mn6 Dy2 130.31(15) . .
Dy1 Mn6 Dy2 66.33(2) 2_675 .
C41 O6 Mn7 120.2(6) . .
C41 O6 Dy3 131.1(6) . .
Mn7 O6 Dy3 108.6(2) . .
C130 N6 C127 41.7(11) . .
C130 N6 C128 117.5(17) . .
C127 N6 C128 76.0(14) . .
C130 N6 C125 159.9(16) . .
C127 N6 C125 118.2(12) . .
C128 N6 C125 42.7(12) . .
C130 N6 C126 81.8(15) . .
C127 N6 C126 122.8(11) . .
C128 N6 C126 156.0(15) . .
C125 N6 C126 118.2(11) . .
C130 N6 C129 120.8(19) . .
C127 N6 C129 161.5(16) . .
C128 N6 C129 121.5(17) . .
C125 N6 C129 78.9(15) . .
C126 N6 C129 42.8(12) . .
O1 C6 C5 119.8(9) . .
O1 C6 C1 119.1(8) . .
C5 C6 C1 120.8(9) . .
O8 Mn7 O5 90.3(3) . .
O8 Mn7 O6 176.6(2) . .
O5 Mn7 O6 89.6(2) . .
O8 Mn7 O7 88.8(2) . .
O5 Mn7 O7 176.0(2) . .
O6 Mn7 O7 91.0(2) . .
O8 Mn7 O9 97.6(2) . .
O5 Mn7 O9 97.4(2) . .
O6 Mn7 O9 79.1(2) . .
O7 Mn7 O9 78.9(2) . .
O8 Mn7 O18 94.3(2) . .
O5 Mn7 O18 93.6(2) . .
O6 Mn7 O18 89.1(2) . .
O7 Mn7 O18 90.3(2) . .
O9 Mn7 O18 163.7(2) . .
O8 Mn7 Dy3 136.98(16) . .
O5 Mn7 Dy3 87.97(17) . .
O6 Mn7 Dy3 39.67(16) . .
O7 Mn7 Dy3 89.98(18) . .
O9 Mn7 Dy3 40.36(14) . .
O18 Mn7 Dy3 128.74(19) . .
O8 Mn7 Dy4 86.46(17) . 2_584
O5 Mn7 Dy4 137.19(16) . 2_584
O6 Mn7 Dy4 91.29(17) . 2_584
O7 Mn7 Dy4 38.85(15) . 2_584
O9 Mn7 Dy4 41.21(14) . 2_584
O18 Mn7 Dy4 129.16(18) . 2_584
Dy3 Mn7 Dy4 66.83(3) . 2_584
C48 O7 Mn7 117.4(5) . .
C48 O7 Dy4 132.8(5) . 2_584
Mn7 O7 Dy4 109.8(2) . 2_584
C133 N7 C131 121.5(6) . .
C133 N7 C132 120.2(6) . .
C131 N7 C132 118.2(7) . .
C5 C7 C8 112.7(8) . .
C5 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
C5 C7 H7B 109.0 . .
C8 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
O3 Mn8 O4 91.8(2) . .
O3 Mn8 O2 88.6(2) . .
O4 Mn8 O2 175.3(2) . .
O3 Mn8 O1 174.8(2) . .
O4 Mn8 O1 88.3(2) . .
O2 Mn8 O1 90.9(2) . .
O3 Mn8 O14 97.6(2) . .
O4 Mn8 O14 95.6(2) . .
O2 Mn8 O14 79.6(2) . .
O1 Mn8 O14 77.3(2) . .
O3 Mn8 O17 93.6(2) . .
O4 Mn8 O17 94.5(2) . .
O2 Mn8 O17 90.2(2) . .
O1 Mn8 O17 91.5(2) . .
O14 Mn8 O17 164.6(2) . .
O3 Mn8 Dy3 87.64(16) . .
O4 Mn8 Dy3 135.46(17) . .
O2 Mn8 Dy3 39.83(15) . .
O1 Mn8 Dy3 88.72(17) . .
O14 Mn8 Dy3 40.67(14) . .
O17 Mn8 Dy3 130.03(17) . .
O3 Mn8 Dy4 136.81(17) . .
O4 Mn8 Dy4 85.18(18) . .
O2 Mn8 Dy4 91.30(17) . .
O1 Mn8 Dy4 38.06(16) . .
O14 Mn8 Dy4 40.35(15) . .
O17 Mn8 Dy4 129.55(16) . .
Dy3 Mn8 Dy4 66.17(3) . .
C55 O8 Mn7 120.7(4) . .
O30 N8 O31 123.5(8) . .
O30 N8 O29 120.9(9) . .
O31 N8 O29 115.6(8) . .
O30 N8 Dy1 166.3(5) . .
O31 N8 Dy1 58.6(4) . .
O29 N8 Dy1 59.1(4) . .
C13 C8 C9 119.0(9) . .
C13 C8 C7 122.0(8) . .
C9 C8 C7 118.9(9) . .
Mn7 O9 Dy3 102.3(2) . .
Mn7 O9 Dy4 101.7(2) . 2_584
Dy3 O9 Dy4 111.1(2) . 2_584
C10 C9 C8 120.7(10) . .
C10 C9 H9 119.7 . .
C8 C9 H9 119.7 . .
N4 O10 Dy4 131.4(5) . 2_584
N4 O10 Dy3 94.7(5) . .
Dy4 O10 Dy3 111.6(2) 2_584 .
C11 C10 C9 118.6(9) . .
C11 C10 H10 120.7 . .
C9 C10 H10 120.7 . .
C10 C11 C12 122.6(10) . .
C10 C11 H11 118.7 . .
C12 C11 H11 118.7 . .
N4 O12 Dy4 129.9(5) . .
N4 O12 Dy3 93.2(5) . .
Dy4 O12 Dy3 109.3(2) . .
C11 C12 C13 116.7(9) . .
C11 C12 C14 120.8(9) . .
C13 C12 C14 122.5(8) . .
O2 C13 C8 119.0(9) . .
O2 C13 C12 119.3(8) . .
C8 C13 C12 121.6(8) . .
Mn8 O14 Dy3 100.9(2) . .
Mn8 O14 Dy4 101.9(2) . .
Dy3 O14 Dy4 110.9(2) . .
C12 C14 C15 112.8(8) . .
C12 C14 H14A 109.0 . .
C15 C14 H14A 109.0 . .
C12 C14 H14B 109.0 . .
C15 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C16 C15 C20 118.9(8) . .
C16 C15 C14 120.8(8) . .
C20 C15 C14 120.2(8) . .
C15 C16 C17 121.3(9) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C59 O17 Mn8 145.3(5) . .
C18 C17 C16 119.0(9) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
C62 O18 Mn7 148.3(6) . .
C17 C18 C19 122.7(9) . .
C17 C18 H18 118.6 . .
C19 C18 H18 118.6 . .
C65 O19 Dy3 147.7(6) . .
C18 C19 C20 117.7(9) . .
C18 C19 C21 121.1(8) . .
C20 C19 C21 121.0(8) . .
C71 O20 Mn6 117.6(3) . .
O3 C20 C15 120.7(8) . .
O3 C20 C19 119.0(8) . .
C15 C20 C19 120.2(8) . .
C78 O21 Mn6 123.1(4) . .
C22 C21 C19 111.1(8) . .
C22 C21 H21A 109.4 . .
C19 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
C19 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C85 O22 Mn6 117.4(3) . .
C85 O22 Dy2 133.0(3) . .
Mn6 O22 Dy2 109.6(2) . .
C27 C22 C23 118.6(8) . .
C27 C22 C21 121.3(8) . .
C23 C22 C21 120.0(8) . .
C92 O23 Mn6 118.9(3) . .
C92 O23 Dy1 130.1(3) . 2_675
Mn6 O23 Dy1 110.9(2) . 2_675
C24 C23 C22 120.6(9) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C99 O24 Mn5 117.4(3) . .
C23 C24 C25 120.1(10) . .
C23 C24 H24 119.9 . .
C25 C24 H24 119.9 . .
C106 O25 Mn5 123.9(3) . .
C24 C25 C26 121.9(10) . .
C24 C25 H25 119.1 . .
C26 C25 H25 119.1 . .
C113 O26 Mn5 117.7(3) . .
C113 O26 Dy2 131.7(3) . .
Mn5 O26 Dy2 110.6(2) . .
C25 C26 C27 117.1(9) . .
C25 C26 C28 120.7(9) . .
C27 C26 C28 122.1(8) . .
C120 O27 Mn5 121.0(3) . .
C120 O27 Dy1 130.2(3) . .
Mn5 O27 Dy1 108.8(2) . .
O4 C27 C22 119.1(8) . .
O4 C27 C26 119.4(8) . .
C22 C27 C26 121.4(8) . .
Mn6 O28 Dy1 101.96(18) . 2_675
Mn6 O28 Dy2 100.99(19) . .
Dy1 O28 Dy2 110.2(2) 2_675 .
C1 C28 C26 114.1(8) . .
C1 C28 H28A 108.7 . .
C26 C28 H28A 108.7 . .
C1 C28 H28B 108.7 . .
C26 C28 H28B 108.7 . .
H28A C28 H28B 107.6 . .
N8 O29 Dy2 132.7(4) . .
N8 O29 Dy1 92.9(5) . .
Dy2 O29 Dy1 109.8(2) . .
C34 C29 C30 118.2(9) . .
C34 C29 C56 121.7(7) . .
C30 C29 C56 119.8(8) . .
C31 C30 C29 119.7(11) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
N8 O31 Dy2 132.7(4) . 2_675
N8 O31 Dy1 94.4(5) . .
Dy2 O31 Dy1 109.6(2) 2_675 .
C30 C31 C32 121.4(10) . .
C30 C31 H31 119.3 . .
C32 C31 H31 119.3 . .
C31 C32 C33 120.5(10) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
Mn5 O33 Dy1 101.38(18) . .
Mn5 O33 Dy2 100.4(2) . .
Dy1 O33 Dy2 111.3(2) . .
C32 C33 C34 119.0(10) . .
C32 C33 C35 119.4(9) . .
C34 C33 C35 121.7(8) . .
O5 C34 C33 120.6(9) . .
O5 C34 C29 118.2(8) . .
C33 C34 C29 121.1(8) . .
C33 C35 C36 114.5(9) . .
C33 C35 H35A 108.6 . .
C36 C35 H35A 108.6 . .
C33 C35 H35B 108.6 . .
C36 C35 H35B 108.6 . .
H35A C35 H35B 107.6 . .
C153 O36 C150 55.3(14) . .
C153 O36 Mn6 153.0(15) . .
C150 O36 Mn6 151.5(9) . .
C37 C36 C41 116.0(10) . .
C37 C36 C35 120.4(10) . .
C41 C36 C35 123.6(9) . .
C130 O37 C127 49.9(14) . .
C130 O37 Mn5 157.7(16) . .
C127 O37 Mn5 152.0(10) . .
C38 C37 C36 122.2(13) . .
C38 C37 H37 118.9 . .
C36 C37 H37 118.9 . .
C133 O38 Dy1 152.3(4) . .
C37 C38 C39 120.0(11) . .
C37 C38 H38 120.0 . .
C39 C38 H38 120.0 . .
C38 C39 C40 121.9(11) . .
C38 C39 H39 119.0 . .
C40 C39 H39 119.0 . .
C41 C40 C39 116.9(10) . .
C41 C40 C42 121.8(8) . .
C39 C40 C42 121.3(10) . .
O6 C41 C40 119.8(9) . .
O6 C41 C36 117.6(9) . .
C40 C41 C36 122.7(8) . .
C40 C42 C43 110.5(9) . .
C40 C42 H42A 109.5 . .
C43 C42 H42A 109.5 . .
C40 C42 H42B 109.5 . .
C43 C42 H42B 109.5 . .
H42A C42 H42B 108.1 . .
C48 C43 C44 115.2(10) . .
C48 C43 C42 123.6(8) . .
C44 C43 C42 121.2(10) . .
C45 C44 C43 122.1(12) . .
C45 C44 H44 118.9 . .
C43 C44 H44 118.9 . .
C46 C45 C44 120.6(11) . .
C46 C45 H45 119.7 . .
C44 C45 H45 119.7 . .
C45 C46 C47 123.0(12) . .
C45 C46 H46 118.5 . .
C47 C46 H46 118.5 . .
C46 C47 C48 116.9(10) . .
C46 C47 C49 120.9(9) . .
C48 C47 C49 122.2(8) . .
O7 C48 C47 119.9(8) . .
O7 C48 C43 117.9(8) . .
C47 C48 C43 122.1(8) . .
C50 C49 C47 112.2(8) . .
C50 C49 H49A 109.2 . .
C47 C49 H49A 109.2 . .
C50 C49 H49B 109.2 . .
C47 C49 H49B 109.2 . .
H49A C49 H49B 107.9 . .
C51 C50 C55 118.6(7) . .
C51 C50 C49 119.9(7) . .
C55 C50 C49 121.5(7) . .
C52 C51 C50 122.1(8) . .
C52 C51 H51 118.9 . .
C50 C51 H51 118.9 . .
C51 C52 C53 118.3(9) . .
C51 C52 H52 120.9 . .
C53 C52 H52 120.9 . .
C54 C53 C52 122.5(9) . .
C54 C53 H53 118.7 . .
C52 C53 H53 118.7 . .
C53 C54 C55 119.2(8) . .
C53 C54 C56 121.1(9) . .
C55 C54 C56 119.1(8) . .
O8 C55 C54 119.7(7) . .
O8 C55 C50 121.0(7) . .
C54 C55 C50 119.3(7) . .
C29 C56 C54 110.1(6) . .
C29 C56 H56A 109.6 . .
C54 C56 H56A 109.6 . .
C29 C56 H56B 109.6 . .
C54 C56 H56B 109.6 . .
H56A C56 H56B 108.2 . .
N1 C57 H57A 109.5 . .
N1 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N1 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
N1 C58 H58A 109.5 . .
N1 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
N1 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
O17 C59 N1 129.7(10) . .
O17 C59 H59 115.1 . .
N1 C59 H59 115.1 . .
N2 C60 H60A 109.5 . .
N2 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N2 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N2 C61 H61A 109.5 . .
N2 C61 H61B 109.5 . .
N2 C61 H61C 109.5 . .
O18 C62 N2 134.5(11) . .
O18 C62 H62 112.8 . .
N2 C62 H62 112.8 . .
N3 C63 H63A 109.5 . .
N3 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N3 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
N3 C64 H64A 109.5 . .
N3 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
N3 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O19 C65 N3 125.6(10) . .
O19 C65 H65 117.2 . .
N3 C65 H65 117.2 . .
C67 C66 C71 117.6(8) . .
C67 C66 C93 122.1(7) . .
C71 C66 C93 120.4(7) . .
C68 C67 C66 122.3(9) . .
C68 C67 H67 118.8 . .
C66 C67 H67 118.8 . .
C67 C68 C69 120.6(9) . .
C67 C68 H68 119.7 . .
C69 C68 H68 119.7 . .
C68 C69 C70 119.7(9) . .
C68 C69 H69 120.1 . .
C70 C69 H69 120.1 . .
C71 C70 C69 119.2(8) . .
C71 C70 C72 121.1(7) . .
C69 C70 C72 119.7(8) . .
O20 C71 C70 120.2(7) . .
O20 C71 C66 119.2(7) . .
C70 C71 C66 120.6(7) . .
C70 C72 C73 109.6(8) . .
C70 C72 H72A 109.8 . .
C73 C72 H72A 109.8 . .
C70 C72 H72B 109.8 . .
C73 C72 H72B 109.8 . .
H72A C72 H72B 108.2 . .
C74 C73 C78 118.0(9) . .
C74 C73 C72 120.7(9) . .
C78 C73 C72 121.2(8) . .
C75 C74 C73 121.7(10) . .
C75 C74 H74 119.2 . .
C73 C74 H74 119.2 . .
C74 C75 C76 119.4(10) . .
C74 C75 H75 120.3 . .
C76 C75 H75 120.3 . .
C75 C76 C77 121.8(10) . .
C75 C76 H76 119.1 . .
C77 C76 H76 119.1 . .
C78 C77 C76 118.2(9) . .
C78 C77 C79 121.0(8) . .
C76 C77 C79 120.8(9) . .
O21 C78 C77 121.6(8) . .
O21 C78 C73 117.6(8) . .
C77 C78 C73 120.8(8) . .
C80 C79 C77 115.6(7) . .
C80 C79 H79A 108.4 . .
C77 C79 H79A 108.4 . .
C80 C79 H79B 108.4 . .
C77 C79 H79B 108.4 . .
H79A C79 H79B 107.4 . .
C85 C80 C81 118.0(10) . .
C85 C80 C79 121.8(8) . .
C81 C80 C79 120.2(9) . .
C82 C81 C80 122.0(10) . .
C82 C81 H81 119.0 . .
C80 C81 H81 119.0 . .
C81 C82 C83 118.9(10) . .
C81 C82 H82 120.6 . .
C83 C82 H82 120.6 . .
C82 C83 C84 122.5(11) . .
C82 C83 H83 118.7 . .
C84 C83 H83 118.7 . .
C83 C84 C85 118.2(9) . .
C83 C84 C86 121.3(9) . .
C85 C84 C86 120.5(8) . .
O22 C85 C80 119.1(8) . .
O22 C85 C84 120.6(7) . .
C80 C85 C84 120.3(8) . .
C84 C86 C87 111.1(7) . .
C84 C86 H86A 109.4 . .
C87 C86 H86A 109.4 . .
C84 C86 H86B 109.4 . .
C87 C86 H86B 109.4 . .
H86A C86 H86B 108.0 . .
C92 C87 C88 119.3(8) . .
C92 C87 C86 121.8(7) . .
C88 C87 C86 118.7(8) . .
C89 C88 C87 121.4(9) . .
C89 C88 H88 119.3 . .
C87 C88 H88 119.3 . .
C90 C89 C88 119.0(8) . .
C90 C89 H89 120.5 . .
C88 C89 H89 120.5 . .
C89 C90 C91 122.2(8) . .
C89 C90 H90 118.9 . .
C91 C90 H90 118.9 . .
C90 C91 C92 117.6(8) . .
C90 C91 C93 122.0(7) . .
C92 C91 C93 120.4(7) . .
O23 C92 C87 121.0(7) . .
O23 C92 C91 118.7(7) . .
C87 C92 C91 120.2(7) . .
C66 C93 C91 115.8(7) . .
C66 C93 H93A 108.3 . .
C91 C93 H93A 108.3 . .
C66 C93 H93B 108.3 . .
C91 C93 H93B 108.3 . .
H93A C93 H93B 107.4 . .
C95 C94 C99 118.4(8) . .
C95 C94 C121 119.9(7) . .
C99 C94 C121 121.7(7) . .
C94 C95 C96 120.8(8) . .
C94 C95 H95 119.6 . .
C96 C95 H95 119.6 . .
C97 C96 C95 119.8(7) . .
C97 C96 H96 120.1 . .
C95 C96 H96 120.1 . .
C96 C97 C98 123.1(8) . .
C96 C97 H97 118.5 . .
C98 C97 H97 118.5 . .
C97 C98 C99 115.8(7) . .
C97 C98 C100 122.3(7) . .
C99 C98 C100 121.8(7) . .
O24 C99 C94 119.0(7) . .
O24 C99 C98 118.9(6) . .
C94 C99 C98 122.1(7) . .
C98 C100 C101 111.0(7) . .
C98 C100 H10A 109.4 . .
C101 C100 H10A 109.4 . .
C98 C100 H10B 109.4 . .
C101 C100 H10B 109.4 . .
H10A C100 H10B 108.0 . .
C102 C101 C106 118.9(9) . .
C102 C101 C100 120.7(9) . .
C106 C101 C100 120.4(7) . .
C103 C102 C101 119.2(10) . .
C103 C102 H102 120.4 . .
C101 C102 H102 120.4 . .
C104 C103 C102 121.7(10) . .
C104 C103 H103 119.2 . .
C102 C103 H103 119.2 . .
C103 C104 C105 120.6(10) . .
C103 C104 H104 119.7 . .
C105 C104 H104 119.7 . .
C106 C105 C104 118.3(9) . .
C106 C105 C107 121.5(8) . .
C104 C105 C107 120.2(9) . .
O25 C106 C105 120.7(7) . .
O25 C106 C101 118.1(7) . .
C105 C106 C101 121.2(8) . .
C108 C107 C105 114.3(7) . .
C108 C107 H10C 108.7 . .
C105 C107 H10C 108.7 . .
C108 C107 H10D 108.7 . .
C105 C107 H10D 108.7 . .
H10C C107 H10D 107.6 . .
C113 C108 C109 116.2(9) . .
C113 C108 C107 123.8(8) . .
C109 C108 C107 120.0(9) . .
C110 C109 C108 121.3(10) . .
C110 C109 H109 119.3 . .
C108 C109 H109 119.3 . .
C109 C110 C111 120.8(9) . .
C109 C110 H110 119.6 . .
C111 C110 H110 119.6 . .
C112 C111 C110 121.9(10) . .
C112 C111 H111 119.1 . .
C110 C111 H111 119.1 . .
C111 C112 C113 117.4(9) . .
C111 C112 C114 121.1(9) . .
C113 C112 C114 121.5(7) . .
O26 C113 C112 120.3(7) . .
O26 C113 C108 117.1(8) . .
C112 C113 C108 122.3(8) . .
C112 C114 C115 110.5(7) . .
C112 C114 H11A 109.6 . .
C115 C114 H11A 109.6 . .
C112 C114 H11B 109.6 . .
C115 C114 H11B 109.6 . .
H11A C114 H11B 108.1 . .
C120 C115 C116 118.0(7) . .
C120 C115 C114 121.7(7) . .
C116 C115 C114 120.3(8) . .
C117 C116 C115 121.2(9) . .
C117 C116 H116 119.4 . .
C115 C116 H116 119.4 . .
C116 C117 C118 120.6(8) . .
C116 C117 H117 119.7 . .
C118 C117 H117 119.7 . .
C117 C118 C119 119.9(8) . .
C117 C118 H118 120.0 . .
C119 C118 H118 120.0 . .
C118 C119 C120 118.8(8) . .
C118 C119 C121 119.8(7) . .
C120 C119 C121 121.3(7) . .
O27 C120 C115 119.4(6) . .
O27 C120 C119 119.5(7) . .
C115 C120 C119 121.0(7) . .
C94 C121 C119 115.9(7) . .
C94 C121 H12A 108.3 . .
C119 C121 H12A 108.3 . .
C94 C121 H12B 108.3 . .
C119 C121 H12B 108.3 . .
H12A C121 H12B 107.4 . .
N5 C152 H15A 109.5 . .
N5 C152 H15B 109.5 . .
N5 C152 H15C 109.5 . .
N5 C151 H15D 109.5 . .
N5 C151 H15E 109.5 . .
N5 C151 H15F 109.5 . .
O36 C150 N5 126.6(16) . .
O36 C150 H150 116.7 . .
N5 C150 H150 116.7 . .
N6 C125 H12C 109.5 . .
N6 C125 H12D 109.5 . .
H12C C125 H12D 109.5 . .
N6 C125 H12E 109.5 . .
H12C C125 H12E 109.5 . .
H12D C125 H12E 109.5 . .
N6 C126 H12F 109.5 . .
N6 C126 H12G 109.5 . .
H12F C126 H12G 109.5 . .
N6 C126 H12H 109.5 . .
H12F C126 H12H 109.5 . .
H12G C126 H12H 109.5 . .
O37 C127 N6 125.9(17) . .
O37 C127 H127 117.1 . .
N6 C127 H127 117.1 . .
N6 C128 H12I 109.5 . .
N6 C128 H12J 109.5 . .
N6 C128 H12K 109.5 . .
N6 C129 H12L 109.5 . .
N6 C129 H12M 109.5 . .
N6 C129 H12N 109.5 . .
O37 C130 N6 141(3) . .
O37 C130 H130 109.5 . .
N6 C130 H130 109.5 . .
N7 C131 H13A 109.5 . .
N7 C131 H13B 109.5 . .
H13A C131 H13B 109.5 . .
N7 C131 H13C 109.5 . .
H13A C131 H13C 109.5 . .
H13B C131 H13C 109.5 . .
N7 C132 H13D 109.5 . .
N7 C132 H13E 109.5 . .
H13D C132 H13E 109.5 . .
N7 C132 H13F 109.5 . .
H13D C132 H13F 109.5 . .
H13E C132 H13F 109.5 . .
O38 C133 N7 124.9(7) . .
O38 C133 H133 117.5 . .
N7 C133 H133 117.5 . .
O36 C153 N5 129(3) . .
O36 C153 H153 115.3 . .
N5 C153 H153 115.3 . .
N2 C61A H61D 109.5 . .
N2 C61A H61E 109.5 . .
H61D C61A H61E 109.5 . .
N2 C61A H61F 109.5 . .
H61D C61A H61F 109.5 . .
H61E C61A H61F 109.5 . .
N5 C154 H15G 109.5 . .
N5 C154 H15H 109.5 . .
H15G C154 H15H 109.5 . .
N5 C154 H15I 109.5 . .
H15G C154 H15I 109.5 . .
H15H C154 H15I 109.5 . .
N5 C155 H15J 109.5 . .
N5 C155 H15K 109.5 . .
H15J C155 H15K 109.5 . .
N5 C155 H15L 109.5 . .
H15J C155 H15L 109.5 . .
H15K C155 H15L 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O38 2.318(5) .
Dy1 O33 2.333(5) .
Dy1 O32 2.366(5) .
Dy1 O28 2.367(5) 2_675
Dy1 O23 2.368(5) 2_675
Dy1 O27 2.395(5) .
Dy1 O31 2.426(5) .
Dy1 O29 2.436(5) .
Dy1 N8 2.835(9) .
Dy1 Mn5 3.5406(13) .
Dy1 Mn6 3.5720(13) 2_675
Dy1 Dy2 3.9084(6) 2_675
O1 C6 1.370(10) .
O1 Mn8 1.990(6) .
O1 Dy4 2.368(6) .
N1 C59 1.285(11) .
N1 C58 1.427(13) .
N1 C57 1.461(12) .
C1 C2 1.387(13) .
C1 C6 1.422(13) .
C1 C28 1.506(13) .
Dy2 O29 2.347(5) .
Dy2 O31 2.355(5) 2_675
Dy2 O26 2.365(5) .
Dy2 O22 2.382(5) .
Dy2 O28 2.399(5) .
Dy2 O34 2.401(5) .
Dy2 O35 2.406(5) .
Dy2 O33 2.407(5) .
Dy2 Mn6 3.5723(12) .
Dy2 Mn5 3.5743(12) .
Dy2 Dy1 3.9084(6) 2_675
O2 C13 1.370(10) .
O2 Mn8 1.963(5) .
O2 Dy3 2.403(5) .
N2 C62 1.290(10) .
N2 C60 1.420(12) .
N2 C61A 1.423(17) .
N2 C61 1.492(17) .
C2 C3 1.358(14) .
C2 H2 0.9500 .
Dy3 O19 2.311(6) .
Dy3 O16 2.349(5) .
Dy3 O9 2.357(5) .
Dy3 O14 2.360(5) .
Dy3 O6 2.396(6) .
Dy3 O10 2.416(5) .
Dy3 O12 2.431(6) .
Dy3 N4 2.837(10) .
Dy3 Mn8 3.5550(14) .
Dy3 Mn7 3.5556(14) .
Dy3 Dy4 3.9017(7) .
O3 C20 1.357(10) .
O3 Mn8 1.919(6) .
N3 C65 1.302(11) .
N3 C63 1.382(16) .
N3 C64 1.448(13) .
C3 C4 1.372(14) .
C3 H3 0.9500 .
Dy4 O10 2.337(5) 2_584
Dy4 O12 2.353(5) .
Dy4 O14 2.376(6) .
Dy4 O7 2.389(5) 2_584
Dy4 O15 2.395(6) .
Dy4 O13 2.408(5) .
Dy4 O9 2.411(5) 2_584
Dy4 Mn7 3.5834(14) 2_584
Dy4 Mn8 3.5923(14) .
Dy4 Dy3 3.9314(7) 2_584
O4 C27 1.357(10) .
O4 Mn8 1.921(5) .
N4 O11 1.275(10) .
N4 O10 1.301(11) .
N4 O12 1.335(10) .
C4 C5 1.406(13) .
C4 H4 0.9500 .
Mn5 O25 1.901(5) .
Mn5 O24 1.911(5) .
Mn5 O27 1.949(5) .
Mn5 O26 1.973(6) .
Mn5 O33 2.242(5) .
Mn5 O37 2.254(5) .
O5 C34 1.358(10) .
O5 Mn7 1.942(6) .
N5 C155 1.28(3) .
N5 C150 1.322(16) .
N5 C153 1.34(3) .
N5 C152 1.39(2) .
N5 C154 1.49(3) .
N5 C151 1.51(2) .
C5 C6 1.408(13) .
C5 C7 1.497(14) .
Mn6 O21 1.913(5) .
Mn6 O20 1.934(5) .
Mn6 O23 1.959(5) .
Mn6 O22 1.981(5) .
Mn6 O28 2.229(5) .
Mn6 O36 2.260(6) .
Mn6 Dy1 3.5720(13) 2_675
O6 C41 1.369(10) .
O6 Mn7 1.971(6) .
N6 C130 1.35(2) .
N6 C127 1.348(16) .
N6 C128 1.44(3) .
N6 C125 1.445(16) .
N6 C126 1.45(2) .
N6 C129 1.46(2) .
Mn7 O8 1.924(6) .
Mn7 O7 1.981(6) .
Mn7 O9 2.206(5) .
Mn7 O18 2.262(6) .
Mn7 Dy4 3.5834(14) 2_584
O7 C48 1.368(10) .
O7 Dy4 2.389(5) 2_584
N7 C133 1.298(9) .
N7 C131 1.452(9) .
N7 C132 1.460(10) .
C7 C8 1.542(13) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
Mn8 O14 2.249(6) .
Mn8 O17 2.262(6) .
O8 C55 1.334(9) .
N8 O30 1.269(10) .
N8 O31 1.294(10) .
N8 O29 1.331(9) .
C8 C13 1.375(13) .
C8 C9 1.405(13) .
O9 Dy4 2.411(5) 2_584
C9 C10 1.397(15) .
C9 H9 0.9500 .
O10 Dy4 2.337(5) 2_584
C10 C11 1.377(14) .
C10 H10 0.9500 .
C11 C12 1.404(13) .
C11 H11 0.9500 .
C12 C13 1.416(13) .
C12 C14 1.510(13) .
C14 C15 1.523(12) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.384(12) .
C15 C20 1.408(12) .
C16 C17 1.398(13) .
C16 H16 0.9500 .
O17 C59 1.213(11) .
C17 C18 1.367(13) .
C17 H17 0.9500 .
O18 C62 1.173(11) .
C18 C19 1.385(12) .
C18 H18 0.9500 .
O19 C65 1.221(11) .
C19 C20 1.426(12) .
C19 C21 1.538(12) .
O20 C71 1.350(8) .
O21 C78 1.350(9) .
C21 C22 1.518(12) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
O22 C85 1.357(8) .
C22 C27 1.391(12) .
C22 C23 1.406(12) .
O23 C92 1.362(7) .
O23 Dy1 2.368(5) 2_675
C23 C24 1.358(14) .
C23 H23 0.9500 .
O24 C99 1.374(7) .
C24 C25 1.382(13) .
C24 H24 0.9500 .
O25 C106 1.372(8) .
C25 C26 1.392(13) .
C25 H25 0.9500 .
O26 C113 1.360(8) .
C26 C27 1.407(13) .
C26 C28 1.515(13) .
O27 C120 1.366(7) .
O28 Dy1 2.367(5) 2_675
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C34 1.411(13) .
C29 C30 1.411(13) .
C29 C56 1.493(10) .
C30 C31 1.377(15) .
C30 H30 0.9500 .
O31 Dy2 2.355(5) 2_675
C31 C32 1.379(15) .
C31 H31 0.9500 .
C32 C33 1.385(13) .
C32 H32 0.9500 .
C33 C34 1.396(13) .
C33 C35 1.508(14) .
C35 C36 1.510(14) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
O36 C153 1.15(3) .
O36 C150 1.204(16) .
C36 C37 1.414(15) .
C36 C41 1.426(14) .
O37 C130 1.06(2) .
O37 C127 1.196(16) .
C37 C38 1.345(17) .
C37 H37 0.9500 .
O38 C133 1.246(9) .
C38 C39 1.385(18) .
C38 H38 0.9500 .
C39 C40 1.399(14) .
C39 H39 0.9500 .
C40 C41 1.386(14) .
C40 C42 1.487(14) .
C42 C43 1.503(14) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C48 1.427(13) .
C43 C44 1.430(15) .
C44 C45 1.341(19) .
C44 H44 0.9500 .
C45 C46 1.337(17) .
C45 H45 0.9500 .
C46 C47 1.394(13) .
C46 H46 0.9500 .
C47 C48 1.394(13) .
C47 C49 1.509(13) .
C49 C50 1.509(13) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
C50 C51 1.385(10) .
C50 C55 1.428(9) .
C51 C52 1.385(13) .
C51 H51 0.9500 .
C52 C53 1.398(13) .
C52 H52 0.9500 .
C53 C54 1.362(12) .
C53 H53 0.9500 .
C54 C55 1.421(13) .
C54 C56 1.500(12) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C59 H59 0.9500 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62 0.9500 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65 0.9500 .
C66 C67 1.397(12) .
C66 C71 1.416(11) .
C66 C93 1.498(12) .
C67 C68 1.361(13) .
C67 H67 0.9500 .
C68 C69 1.375(13) .
C68 H68 0.9500 .
C69 C70 1.421(12) .
C69 H69 0.9500 .
C70 C71 1.395(12) .
C70 C72 1.513(12) .
C72 C73 1.546(13) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74 1.401(13) .
C73 C78 1.410(13) .
C74 C75 1.367(15) .
C74 H74 0.9500 .
C75 C76 1.373(15) .
C75 H75 0.9500 .
C76 C77 1.399(13) .
C76 H76 0.9500 .
C77 C78 1.395(13) .
C77 C79 1.530(13) .
C79 C80 1.509(13) .
C79 H79A 0.9900 .
C79 H79B 0.9900 .
C80 C85 1.397(13) .
C80 C81 1.401(13) .
C81 C82 1.367(16) .
C81 H81 0.9500 .
C82 C83 1.369(16) .
C82 H82 0.9500 .
C83 C84 1.378(13) .
C83 H83 0.9500 .
C84 C85 1.416(13) .
C84 C86 1.500(13) .
C86 C87 1.538(11) .
C86 H86A 0.9900 .
C86 H86B 0.9900 .
C87 C92 1.367(12) .
C87 C88 1.408(11) .
C88 C89 1.377(12) .
C88 H88 0.9500 .
C89 C90 1.375(13) .
C89 H89 0.9500 .
C90 C91 1.391(11) .
C90 H90 0.9500 .
C91 C92 1.442(11) .
C91 C93 1.540(12) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 C95 1.372(10) .
C94 C99 1.402(11) .
C94 C121 1.517(11) .
C95 C96 1.401(12) .
C95 H95 0.9500 .
C96 C97 1.348(12) .
C96 H96 0.9500 .
C97 C98 1.399(10) .
C97 H97 0.9500 .
C98 C99 1.419(11) .
C98 C100 1.507(11) .
C100 C101 1.517(12) .
C100 H10A 0.9900 .
C100 H10B 0.9900 .
C101 C102 1.379(12) .
C101 C106 1.411(12) .
C102 C103 1.373(15) .
C102 H102 0.9500 .
C103 C104 1.361(15) .
C103 H103 0.9500 .
C104 C105 1.386(13) .
C104 H104 0.9500 .
C105 C106 1.373(12) .
C105 C107 1.511(13) .
C107 C108 1.506(13) .
C107 H10C 0.9900 .
C107 H10D 0.9900 .
C108 C113 1.424(12) .
C108 C109 1.429(13) .
C109 C110 1.358(15) .
C109 H109 0.9500 .
C110 C111 1.388(15) .
C110 H110 0.9500 .
C111 C112 1.382(12) .
C111 H111 0.9500 .
C112 C113 1.416(12) .
C112 C114 1.507(12) .
C114 C115 1.518(11) .
C114 H11A 0.9900 .
C114 H11B 0.9900 .
C115 C120 1.402(12) .
C115 C116 1.402(11) .
C116 C117 1.381(12) .
C116 H116 0.9500 .
C117 C118 1.389(13) .
C117 H117 0.9500 .
C118 C119 1.403(11) .
C118 H118 0.9500 .
C119 C120 1.414(11) .
C119 C121 1.521(11) .
C121 H12A 0.9900 .
C121 H12B 0.9900 .
C152 H15A 0.9800 .
C152 H15B 0.9800 .
C152 H15C 0.9800 .
C151 H15D 0.9800 .
C151 H15E 0.9800 .
C151 H15F 0.9800 .
C150 H150 0.9500 .
C125 H12C 0.9800 .
C125 H12D 0.9800 .
C125 H12E 0.9800 .
C126 H12F 0.9800 .
C126 H12G 0.9800 .
C126 H12H 0.9800 .
C127 H127 0.9500 .
C128 H12I 0.9800 .
C128 H12J 0.9800 .
C128 H12K 0.9800 .
C129 H12L 0.9800 .
C129 H12M 0.9800 .
C129 H12N 0.9800 .
C130 H130 0.9500 .
C131 H13A 0.9800 .
C131 H13B 0.9800 .
C131 H13C 0.9800 .
C132 H13D 0.9800 .
C132 H13E 0.9800 .
C132 H13F 0.9800 .
C133 H133 0.9500 .
C153 H153 0.9500 .
C61A H61D 0.9800 .
C61A H61E 0.9800 .
C61A H61F 0.9800 .
C154 H15G 0.9800 .
C154 H15H 0.9800 .
C154 H15I 0.9800 .
C155 H15J 0.9800 .
C155 H15K 0.9800 .
C155 H15L 0.9800 .
