#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/43/1514360.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_1514360
loop_
_publ_author_name
'Wang, Hailong'
'Qian, Kang'
'Qi, Dongdong'
'Cao, Wei'
'Wang, Kang'
'Gao, Song'
'Jiang, Jianzhuang'
_publ_section_title
;
 Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato)
 dysprosium double-decker SMM
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              3214
_journal_paper_doi               10.1039/c4sc00694a
_journal_volume                  5
_journal_year                    2014
_chemical_formula_sum            'C136 H40 Cl4 Dy N12 O0'
_chemical_formula_weight         2146.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.681(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.5698(4)
_cell_length_b                   15.6246(2)
_cell_length_c                   24.1908(4)
_cell_measurement_reflns_used    6425
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      67.0421
_cell_measurement_theta_min      3.4451
_cell_volume                     8472.8(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16.2141
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            14702
_diffrn_reflns_theta_full        67.15
_diffrn_reflns_theta_max         67.15
_diffrn_reflns_theta_min         3.45
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.467
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_correction_T_min  0.359
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4296
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.215
_refine_diff_density_min         -1.089
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.604
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     961
_refine_ls_number_reflns         7369
_refine_ls_number_restraints     6341
_refine_ls_restrained_S_all      0.533
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1062P)²+265.4611P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1268
_refine_ls_wR_factor_ref         0.1312
_reflns_number_gt                6900
_reflns_number_total             7369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4sc00694a2.cif
_cod_data_source_block           qq
_cod_depositor_comments
'Adding full bibliography for 1514359--1514361.cif.'
_cod_original_sg_symbol_Hall     ' -C 2yc  '
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1514360
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C8 C 0.00240(17) 0.1790(2) 0.62385(16) 0.0156(7) Uani 1 1 d U . .
C7 C -0.03613(18) 0.1669(3) 0.57237(16) 0.0198(8) Uani 1 1 d U . .
H7 H -0.0241 0.1578 0.5373 0.024 Uiso 1 1 calc R . .
C6 C -0.09271(17) 0.1712(3) 0.58479(16) 0.0183(8) Uani 1 1 d U . .
H6 H -0.1271 0.1651 0.5599 0.022 Uiso 1 1 calc R . .
C5 C -0.09031(16) 0.1872(2) 0.64411(15) 0.0155(7) Uani 1 1 d U . .
C4 C -0.14010(16) 0.1879(2) 0.67393(16) 0.0158(7) Uani 1 1 d U . .
C3 C -0.13848(17) 0.1887(2) 0.73216(16) 0.0170(8) Uani 1 1 d U . .
C2 C -0.18904(17) 0.1767(3) 0.76280(16) 0.0194(8) Uani 1 1 d U . .
H2 H -0.2288 0.1743 0.7478 0.023 Uiso 1 1 calc R . .
C10 C 0.10411(17) 0.1802(2) 0.67876(16) 0.0160(7) Uani 1 1 d U . .
C9 C 0.06486(17) 0.1713(2) 0.62893(15) 0.0158(7) Uani 1 1 d U . .
C11 C -0.20000(17) 0.1813(3) 0.63985(16) 0.0180(8) Uani 1 1 d U . .
C12 C -0.21735(18) 0.2435(3) 0.60005(17) 0.0233(8) Uani 1 1 d U . .
H12 H -0.1922 0.2897 0.5962 0.028 Uiso 1 1 calc R . .
C13 C -0.27112(19) 0.2385(3) 0.56604(19) 0.0280(9) Uani 1 1 d U . .
H13 H -0.2824 0.2815 0.5404 0.034 Uiso 1 1 calc R . .
C14 C -0.30720(18) 0.1693(3) 0.57089(18) 0.0269(9) Uani 1 1 d U . .
C15 C -0.29304(18) 0.1075(3) 0.61086(18) 0.0267(9) Uani 1 1 d U . .
H15 H -0.3192 0.0625 0.6149 0.032 Uiso 1 1 calc R . .
C16 C -0.23909(17) 0.1132(3) 0.64513(17) 0.0214(8) Uani 1 1 d U . .
H16 H -0.2290 0.0712 0.6718 0.026 Uiso 1 1 calc R . .
C17 C 0.09168(16) 0.1399(3) 0.57871(15) 0.0166(7) Uani 1 1 d U . .
C18 C 0.13392(18) 0.1860(3) 0.55370(17) 0.0223(8) Uani 1 1 d U . .
H18 H 0.1433 0.2414 0.5659 0.027 Uiso 1 1 calc R . .
C19 C 0.16253(18) 0.1519(3) 0.51103(17) 0.0227(8) Uani 1 1 d U . .
H19 H 0.1910 0.1837 0.4951 0.027 Uiso 1 1 calc R . .
C20 C 0.14819(17) 0.0702(3) 0.49260(16) 0.0203(8) Uani 1 1 d U . .
C21 C 0.10434(18) 0.0240(3) 0.51458(17) 0.0232(8) Uani 1 1 d U . .
H21 H 0.0938 -0.0303 0.5010 0.028 Uiso 1 1 calc R . .
C22 C 0.07633(18) 0.0593(3) 0.55697(17) 0.0217(8) Uani 1 1 d U . .
H22 H 0.0464 0.0284 0.5714 0.026 Uiso 1 1 calc R . .
C23 C 0.00732(17) 0.3811(2) 0.62738(15) 0.0153(7) Uani 1 1 d U . .
C24 C 0.04943(16) 0.3916(2) 0.58638(16) 0.0155(7) Uani 1 1 d U . .
C25 C 0.04186(18) 0.4033(3) 0.52914(17) 0.0213(8) Uani 1 1 d U . .
H25 H 0.0041 0.4042 0.5090 0.026 Uiso 1 1 calc R . .
C26 C 0.09323(19) 0.4138(3) 0.50313(17) 0.0251(9) Uani 1 1 d U . .
H26 H 0.0896 0.4219 0.4648 0.030 Uiso 1 1 calc R . .
C27 C 0.15035(18) 0.4124(3) 0.53307(17) 0.0220(8) Uani 1 1 d U . .
H27 H 0.1838 0.4189 0.5143 0.026 Uiso 1 1 calc R . .
C28 C 0.15750(17) 0.4014(3) 0.59072(16) 0.0180(8) Uani 1 1 d U . .
H28 H 0.1951 0.4011 0.6110 0.022 Uiso 1 1 calc R . .
C29 C 0.10651(17) 0.3909(2) 0.61647(16) 0.0164(7) Uani 1 1 d U . .
C30 C 0.09641(16) 0.3796(2) 0.67495(15) 0.0149(7) Uani 1 1 d U . .
C31 C 0.13052(16) 0.3919(2) 0.76921(16) 0.0153(7) Uani 1 1 d U . .
C32 C 0.17623(16) 0.4252(2) 0.81205(16) 0.0165(7) Uani 1 1 d U . .
C33 C 0.23413(17) 0.4519(3) 0.81020(17) 0.0209(8) Uani 1 1 d U . .
H33 H 0.2517 0.4507 0.7773 0.025 Uiso 1 1 calc R . .
C34 C 0.26547(18) 0.4811(3) 0.85996(18) 0.0266(9) Uani 1 1 d U . .
H34 H 0.3050 0.4983 0.8606 0.032 Uiso 1 1 calc R . .
C35 C 0.23817(18) 0.4847(3) 0.90830(18) 0.0251(9) Uani 1 1 d U . .
H35 H 0.2600 0.5046 0.9407 0.030 Uiso 1 1 calc R . .
C36 C 0.17958(18) 0.4597(3) 0.91022(16) 0.0209(8) Uani 1 1 d U . .
H36 H 0.1614 0.4637 0.9427 0.025 Uiso 1 1 calc R . .
C37 C 0.14941(16) 0.4283(2) 0.86080(16) 0.0168(7) Uani 1 1 d U . .
C38 C 0.08908(16) 0.3947(2) 0.84724(15) 0.0142(7) Uani 1 1 d U . .
N1 N -0.08708(13) 0.1948(2) 0.76933(13) 0.0149(6) Uani 1 1 d U . .
N2 N -0.03165(13) 0.1941(2) 0.66683(13) 0.0145(6) Uani 1 1 d U . .
N3 N 0.05102(14) 0.3923(2) 0.88564(13) 0.0149(6) Uani 1 1 d U . .
N4 N 0.03708(13) 0.3690(2) 0.67944(13) 0.0153(6) Uani 1 1 d U . .
N5 N 0.14070(13) 0.3891(2) 0.71624(13) 0.0151(6) Uani 1 1 d U . .
N6 N 0.07962(14) 0.3721(2) 0.79204(13) 0.0160(6) Uani 1 1 d U . .
Dy1 Dy 0.0000 0.275524(18) 0.7500 0.01200(10) Uani 1 2 d SU . .
Cl1 Cl 0.18842(4) 0.02168(7) 0.44380(4) 0.0282(2) Uani 1 1 d U . .
Cl2 Cl -0.37271(5) 0.15939(9) 0.52456(5) 0.0393(3) Uani 1 1 d U . .
C1 C -0.16819(17) 0.1696(3) 0.81709(17) 0.0197(8) Uani 1 1 d U . .
H1 H -0.1907 0.1597 0.8463 0.024 Uiso 1 1 calc R . .
C41 C 0.1020(6) 0.7847(6) 0.6500(6) 0.0451(16) Uani 0.506(4) 1 d PDU A 1
C42 C 0.0669(5) 0.7093(7) 0.6352(6) 0.0462(17) Uani 0.506(4) 1 d PDU A 1
C43 C 0.0826(5) 0.6426(8) 0.6760(5) 0.0481(17) Uani 0.506(4) 1 d PDU A 1
C44 C 0.1294(5) 0.6772(6) 0.7169(4) 0.0479(16) Uani 0.506(4) 1 d PDU A 1
C45 C 0.1410(5) 0.7651(5) 0.7003(4) 0.0449(17) Uani 0.506(4) 1 d PDU A 1
C46 C 0.0758(4) 0.8642(6) 0.6412(5) 0.0430(16) Uani 0.506(4) 1 d PDU A 1
C47 C 0.0148(4) 0.8703(6) 0.6168(5) 0.0471(17) Uani 0.506(4) 1 d PDU A 1
C48 C -0.0117(4) 0.9407(6) 0.6445(5) 0.0501(18) Uani 0.506(4) 1 d PDU A 1
C49 C 0.0277(5) 0.9766(9) 0.6843(5) 0.0445(19) Uani 0.506(4) 1 d PDU A 1
C50 C 0.0863(5) 0.9315(8) 0.6827(5) 0.0477(17) Uani 0.506(4) 1 d PDU A 1
C51 C 0.1522(4) 0.8295(5) 0.7380(4) 0.0490(16) Uani 0.506(4) 1 d PDU A 1
C52 C 0.1237(5) 0.9138(6) 0.7295(4) 0.0471(17) Uani 0.506(4) 1 d PDU A 1
C53 C 0.1549(5) 0.8032(7) 0.7960(4) 0.0464(19) Uani 0.506(4) 1 d PDU A 1
C54 C 0.1454(6) 0.7224(8) 0.8127(5) 0.048(2) Uani 0.506(4) 1 d PDU . 1
C55 C 0.1302(5) 0.6543(7) 0.7712(4) 0.0516(18) Uani 0.506(4) 1 d PDU A 1
C56 C 0.0745(4) 0.5963(8) 0.7897(4) 0.0518(19) Uani 0.506(4) 1 d PDU . 1
C57 C 0.0336(3) 0.5687(7) 0.7521(4) 0.0487(19) Uani 0.506(4) 1 d PDU . 1
C58 C 0.0390(4) 0.5892(8) 0.6934(4) 0.0469(18) Uani 0.506(4) 1 d PDU A 1
C59 C -0.0221(5) 0.5958(7) 0.6739(4) 0.0533(18) Uani 0.506(4) 1 d PDU . 1
C60 C -0.0371(4) 0.6596(6) 0.6309(5) 0.0533(18) Uani 0.506(4) 1 d PDU A 1
C61 C 0.0070(4) 0.7168(6) 0.6132(5) 0.0468(17) Uani 0.506(4) 1 d PDU A 1
C62 C -0.0199(4) 0.7991(6) 0.6037(5) 0.0487(17) Uani 0.506(4) 1 d PDU A 1
C63 C -0.0813(5) 0.7973(6) 0.6189(6) 0.0480(19) Uani 0.506(4) 1 d PDU A 1
C64 C -0.1011(5) 0.8698(8) 0.6438(5) 0.059(2) Uani 0.506(4) 1 d PDU . 1
C65 C -0.0629(5) 0.9432(7) 0.6560(4) 0.061(2) Uani 0.506(4) 1 d PDU . 1
C66 C 0.1163(6) 0.9437(7) 0.7798(4) 0.058(2) Uani 0.506(4) 1 d PDU A 1
C67 C 0.0636(5) 0.9820(7) 0.7905(5) 0.053(2) Uani 0.506(4) 1 d PDU . 1
C68 C 0.0188(6) 1.0058(7) 0.7376(5) 0.0411(19) Uani 0.506(4) 1 d PDU . 1
C69 C 0.1343(5) 0.8743(7) 0.8217(4) 0.053(2) Uani 0.506(4) 1 d PDU . 1
C70 C -0.0920(5) 0.7082(8) 0.6320(6) 0.055(2) Uani 0.506(4) 1 d PDU . 1
C41' C 0.0984(6) 0.7799(7) 0.6466(7) 0.0460(16) Uani 0.494(4) 1 d PDU A 2
C42' C 0.0634(5) 0.8551(7) 0.6319(5) 0.0441(16) Uani 0.494(4) 1 d PDU A 2
C43' C 0.0813(6) 0.9204(8) 0.6730(5) 0.0472(17) Uani 0.494(4) 1 d PDU A 2
C44' C 0.1283(5) 0.8831(7) 0.7125(4) 0.0511(17) Uani 0.494(4) 1 d PDU A 2
C45' C 0.1393(5) 0.7972(7) 0.6969(5) 0.0451(16) Uani 0.494(4) 1 d PDU A 2
C46' C 0.0718(5) 0.7002(7) 0.6389(7) 0.0462(16) Uani 0.494(4) 1 d PDU A 2
C47' C 0.0097(4) 0.6918(6) 0.6159(5) 0.0475(17) Uani 0.494(4) 1 d PDU A 2
C48' C -0.0185(4) 0.6229(6) 0.6438(4) 0.0440(18) Uani 0.494(4) 1 d PDU A 2
C49' C 0.0269(5) 0.5857(8) 0.6790(4) 0.0476(18) Uani 0.494(4) 1 d PDU A 2
C50' C 0.0834(5) 0.6326(10) 0.6799(5) 0.0490(17) Uani 0.494(4) 1 d PDU A 2
C51' C 0.1483(5) 0.7271(7) 0.7375(4) 0.0469(16) Uani 0.494(4) 1 d PDU A 2
C52' C 0.1198(5) 0.6450(7) 0.7295(4) 0.0488(17) Uani 0.494(4) 1 d PDU A 2
C53' C 0.1031(4) 0.6153(6) 0.7831(4) 0.0427(17) Uani 0.494(4) 1 d PDU . 2
C54' C 0.1239(6) 0.6827(8) 0.8236(4) 0.0522(19) Uani 0.494(4) 1 d PDU . 2
C55' C 0.1515(6) 0.7510(8) 0.7960(5) 0.0475(19) Uani 0.494(4) 1 d PDU . 2
C56' C 0.0033(4) 0.8454(6) 0.6100(5) 0.0456(17) Uani 0.494(4) 1 d PDU A 2
C57' C -0.0235(4) 0.7631(6) 0.6015(5) 0.0483(17) Uani 0.494(4) 1 d PDU A 2
C58' C -0.0845(5) 0.7659(6) 0.6159(6) 0.0454(19) Uani 0.494(4) 1 d PDU A 2
C59' C -0.0956(5) 0.8501(8) 0.6317(7) 0.056(2) Uani 0.494(4) 1 d PDU . 2
C60' C -0.0403(5) 0.9030(6) 0.6267(5) 0.0481(18) Uani 0.494(4) 1 d PDU A 2
C61' C 0.1446(6) 0.8349(9) 0.8086(6) 0.047(2) Uani 0.494(4) 1 d PU . 2
C62' C -0.0755(5) 0.6282(7) 0.6590(5) 0.0533(19) Uani 0.494(4) 1 d PDU . 2
C63' C -0.1096(5) 0.7050(9) 0.6455(6) 0.052(2) Uani 0.494(4) 1 d PDU . 2
C64' C -0.0215(6) 0.9694(8) 0.6675(5) 0.0475(18) Uani 0.494(4) 1 d PU . 2
C65' C 0.0144(5) 0.5581(7) 0.7311(4) 0.0437(17) Uani 0.494(4) 1 d PDU . 2
C66' C 0.1312(5) 0.9023(8) 0.7679(5) 0.0536(18) Uani 0.494(4) 1 d PDU A 2
C67' C 0.0524(5) 0.5675(8) 0.7771(5) 0.0500(19) Uani 0.494(4) 1 d PDU . 2
C68' C 0.0891(5) 0.9633(8) 0.7855(5) 0.048(2) Uani 0.494(4) 1 d PDU . 2
C69' C 0.0441(5) 0.9992(8) 0.7507(6) 0.049(2) Uani 0.494(4) 1 d PDU . 2
C70' C 0.0422(6) 0.9787(10) 0.6912(6) 0.0476(19) Uani 0.494(4) 1 d PDU A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
N2 C8 C9 126.0(3) . .
N2 C8 C7 109.8(3) . .
C9 C8 C7 124.1(3) . .
C6 C7 C8 107.0(3) . .
C7 C6 C5 107.6(3) . .
N2 C5 C4 125.7(3) . .
N2 C5 C6 109.4(3) . .
C4 C5 C6 124.7(3) . .
C5 C4 C3 125.9(3) . .
C5 C4 C11 116.1(3) . .
C3 C4 C11 117.9(3) . .
N1 C3 C4 125.0(3) . .
N1 C3 C2 109.1(3) . .
C4 C3 C2 125.7(4) . .
C1 C2 C3 107.7(3) . .
N1 C10 C9 125.4(3) 2_556 .
N1 C10 C1 109.8(3) 2_556 2_556
C9 C10 C1 124.6(3) . 2_556
C8 C9 C10 125.9(3) . .
C8 C9 C17 116.9(3) . .
C10 C9 C17 116.7(3) . .
C12 C11 C16 117.7(4) . .
C12 C11 C4 119.6(4) . .
C16 C11 C4 122.7(4) . .
C13 C12 C11 121.8(4) . .
C14 C13 C12 118.8(4) . .
C13 C14 C15 121.5(4) . .
C13 C14 Cl2 118.8(4) . .
C15 C14 Cl2 119.7(3) . .
C14 C15 C16 119.2(4) . .
C15 C16 C11 120.8(4) . .
C18 C17 C22 117.3(4) . .
C18 C17 C9 123.0(4) . .
C22 C17 C9 119.7(3) . .
C19 C18 C17 121.8(4) . .
C20 C19 C18 119.0(4) . .
C19 C20 C21 120.8(4) . .
C19 C20 Cl1 120.0(3) . .
C21 C20 Cl1 119.0(3) . .
C22 C21 C20 119.2(4) . .
C21 C22 C17 121.8(4) . .
N3 C23 N4 127.0(3) 2_556 .
N3 C23 C24 121.9(3) 2_556 .
N4 C23 C24 110.6(3) . .
C25 C24 C29 121.2(3) . .
C25 C24 C23 132.7(4) . .
C29 C24 C23 106.1(3) . .
C24 C25 C26 117.0(4) . .
C25 C26 C27 121.9(4) . .
C28 C27 C26 120.7(4) . .
C29 C28 C27 117.4(4) . .
C28 C29 C24 121.9(4) . .
C28 C29 C30 132.8(4) . .
C24 C29 C30 105.3(3) . .
N5 C30 N4 127.5(3) . .
N5 C30 C29 121.3(3) . .
N4 C30 C29 110.8(3) . .
N5 C31 N6 129.1(3) . .
N5 C31 C32 120.4(3) . .
N6 C31 C32 110.4(3) . .
C33 C32 C37 121.7(4) . .
C33 C32 C31 132.5(4) . .
C37 C32 C31 105.8(3) . .
C32 C33 C34 117.2(4) . .
C35 C34 C33 120.6(4) . .
C34 C35 C36 122.5(4) . .
C35 C36 C37 116.3(4) . .
C32 C37 C36 121.6(4) . .
C32 C37 C38 106.5(3) . .
C36 C37 C38 132.0(4) . .
N3 C38 N6 128.9(3) . .
N3 C38 C37 120.8(3) . .
N6 C38 C37 110.3(3) . .
C10 N1 C3 106.2(3) 2_556 .
C10 N1 Dy1 125.5(2) 2_556 .
C3 N1 Dy1 123.1(2) . .
C5 N2 C8 106.2(3) . .
C5 N2 Dy1 123.4(2) . .
C8 N2 Dy1 125.4(2) . .
C23 N3 C38 122.5(3) 2_556 .
C30 N4 C23 106.9(3) . .
C30 N4 Dy1 122.8(2) . .
C23 N4 Dy1 123.3(2) . .
C31 N5 C30 121.7(3) . .
C31 N6 C38 107.0(3) . .
C31 N6 Dy1 125.2(2) . .
C38 N6 Dy1 125.5(2) . .
N2 Dy1 N2 116.51(15) 2_556 .
N2 Dy1 N1 74.55(10) 2_556 .
N2 Dy1 N1 73.70(10) . .
N2 Dy1 N1 73.70(10) 2_556 2_556
N2 Dy1 N1 74.55(10) . 2_556
N1 Dy1 N1 117.35(15) . 2_556
N2 Dy1 N4 142.82(10) 2_556 .
N2 Dy1 N4 80.00(10) . .
N1 Dy1 N4 142.11(10) . .
N1 Dy1 N4 80.01(10) 2_556 .
N2 Dy1 N4 80.00(10) 2_556 2_556
N2 Dy1 N4 142.82(10) . 2_556
N1 Dy1 N4 80.01(10) . 2_556
N1 Dy1 N4 142.11(10) 2_556 2_556
N4 Dy1 N4 107.38(15) . 2_556
N2 Dy1 N6 81.27(10) 2_556 .
N2 Dy1 N6 142.53(10) . .
N1 Dy1 N6 143.53(10) . .
N1 Dy1 N6 80.22(10) 2_556 .
N4 Dy1 N6 68.56(10) . .
N4 Dy1 N6 69.08(10) 2_556 .
N2 Dy1 N6 142.53(10) 2_556 2_556
N2 Dy1 N6 81.27(10) . 2_556
N1 Dy1 N6 80.22(10) . 2_556
N1 Dy1 N6 143.53(10) 2_556 2_556
N4 Dy1 N6 69.08(10) . 2_556
N4 Dy1 N6 68.56(10) 2_556 2_556
N6 Dy1 N6 104.82(15) . 2_556
C2 C1 C10 106.9(3) . 2_556
C46 C41 C42 118.9(9) . .
C46 C41 C45 121.9(9) . .
C42 C41 C45 107.4(8) . .
C61 C42 C41 120.3(9) . .
C61 C42 C43 118.0(9) . .
C41 C42 C43 109.5(8) . .
C58 C43 C42 120.7(9) . .
C58 C43 C44 119.7(9) . .
C42 C43 C44 107.2(8) . .
C55 C44 C45 122.0(8) . .
C55 C44 C43 118.9(8) . .
C45 C44 C43 107.4(7) . .
C51 C45 C41 117.0(8) . .
C51 C45 C44 122.3(8) . .
C41 C45 C44 108.6(7) . .
C41 C46 C47 119.8(8) . .
C41 C46 C50 120.7(9) . .
C47 C46 C50 107.8(7) . .
C62 C47 C46 122.2(8) . .
C62 C47 C48 117.8(8) . .
C46 C47 C48 106.8(7) . .
C65 C48 C49 112.8(11) . .
C65 C48 C47 125.5(9) . .
C49 C48 C47 111.7(8) . .
C48 C49 C68 129.4(12) . .
C48 C49 C50 107.2(8) . .
C68 C49 C50 113.4(11) . .
C52 C50 C46 117.6(9) . .
C52 C50 C49 122.5(12) . .
C46 C50 C49 106.5(8) . .
C45 C51 C53 114.9(8) . .
C45 C51 C52 121.6(8) . .
C53 C51 C52 110.9(7) . .
C66 C52 C50 123.8(11) . .
C66 C52 C51 106.7(7) . .
C50 C52 C51 121.2(8) . .
C54 C53 C69 123.1(11) . .
C54 C53 C51 124.1(9) . .
C69 C53 C51 103.2(7) . .
C53 C54 C55 120.4(10) . .
C53 C54 C70 116.8(10) . 2_556
C55 C54 C70 106.0(10) . 2_556
C44 C55 C54 116.2(9) . .
C44 C55 C56 118.8(8) . .
C54 C55 C56 109.7(9) . .
C57 C56 C59 82.4(7) . 2_556
C57 C56 C55 119.8(9) . .
C59 C56 C55 143.9(10) 2_556 .
C56 C57 C58 118.2(8) . .
C56 C57 C57 132.8(10) . 2_556
C58 C57 C57 97.5(8) . 2_556
C56 C57 C59 54.8(7) . 2_556
C58 C57 C59 154.3(10) . 2_556
C57 C57 C59 79.4(7) 2_556 2_556
C43 C58 C59 123.5(9) . .
C43 C58 C57 124.2(8) . .
C59 C58 C57 98.7(7) . .
C58 C59 C60 115.4(8) . .
C58 C59 C56 126.1(8) . 2_556
C60 C59 C56 105.9(9) . 2_556
C58 C59 C57 84.4(6) . 2_556
C60 C59 C57 142.0(9) . 2_556
C56 C59 C57 42.8(5) 2_556 2_556
C61 C60 C59 121.8(8) . .
C61 C60 C70 107.5(8) . .
C59 C60 C70 118.2(10) . .
C42 C61 C62 120.7(8) . .
C42 C61 C60 120.4(9) . .
C62 C61 C60 108.1(7) . .
C47 C62 C61 118.1(8) . .
C47 C62 C63 118.9(8) . .
C61 C62 C63 109.7(7) . .
C64 C63 C70 128.3(12) . .
C64 C63 C62 117.0(8) . .
C70 C63 C62 104.9(7) . .
C69 C64 C63 128.2(13) 2_556 .
C69 C64 C65 102.7(8) 2_556 .
C63 C64 C65 121.6(9) . .
C48 C65 C67 109.3(11) . 2_556
C48 C65 C64 119.2(9) . .
C67 C65 C64 116.9(8) 2_556 .
C52 C66 C67 121.8(12) . .
C52 C66 C69 108.0(8) . .
C67 C66 C69 110.8(8) . .
C66 C67 C65 95.0(8) . 2_556
C66 C67 C68 115.6(10) . .
C65 C67 C68 139.3(10) 2_556 .
C66 C67 C68 145.8(11) . 2_556
C65 C67 C68 106.6(9) 2_556 2_556
C68 C67 C68 34.4(7) . 2_556
C68 C68 C49 134.9(16) 2_556 .
C68 C68 C67 91.1(14) 2_556 .
C49 C68 C67 121.4(10) . .
C68 C68 C67 54.5(12) 2_556 2_556
C49 C68 C67 81.4(8) . 2_556
C67 C68 C67 137.3(9) . 2_556
C64 C69 C53 122.8(12) 2_556 .
C64 C69 C66 111.9(8) 2_556 .
C53 C69 C66 110.8(8) . .
C63 C70 C60 109.4(8) . .
C63 C70 C54 100.0(9) . 2_556
C60 C70 C54 132.8(10) . 2_556
C46' C41' C42' 118.9(9) . .
C46' C41' C45' 119.9(12) . .
C42' C41' C45' 109.3(8) . .
C56' C42' C41' 119.0(9) . .
C56' C42' C43' 121.0(11) . .
C41' C42' C43' 107.8(8) . .
C70' C43' C42' 123.2(12) . .
C70' C43' C44' 119.9(10) . .
C42' C43' C44' 106.9(7) . .
C66' C44' C45' 118.5(11) . .
C66' C44' C43' 120.0(9) . .
C45' C44' C43' 109.8(8) . .
C44' C45' C41' 106.3(8) . .
C44' C45' C51' 122.6(10) . .
C41' C45' C51' 116.3(10) . .
C41' C46' C50' 121.5(12) . .
C41' C46' C47' 121.0(9) . .
C50' C46' C47' 106.7(8) . .
C57' C47' C46' 120.1(8) . .
C57' C47' C48' 117.7(8) . .
C46' C47' C48' 110.0(8) . .
C49' C48' C62' 120.5(10) . .
C49' C48' C47' 105.4(7) . .
C62' C48' C47' 123.3(9) . .
C48' C49' C65' 118.3(11) . .
C48' C49' C50' 112.3(8) . .
C65' C49' C50' 114.2(8) . .
C52' C50' C46' 122.1(12) . .
C52' C50' C49' 120.5(9) . .
C46' C50' C49' 105.4(8) . .
C52' C51' C55' 109.3(8) . .
C52' C51' C45' 123.3(10) . .
C55' C51' C45' 116.5(10) . .
C50' C52' C51' 116.9(10) . .
C50' C52' C53' 122.2(9) . .
C51' C52' C53' 108.6(7) . .
C67' C53' C52' 112.3(8) . .
C67' C53' C54' 131.4(10) . .
C52' C53' C54' 105.5(7) . .
C67' C53' C62' 75.9(8) . 2_556
C52' C53' C62' 153.5(9) . 2_556
C54' C53' C62' 57.3(7) . 2_556
C63' C54' C55' 108.0(14) 2_556 .
C63' C54' C53' 134.2(15) 2_556 .
C55' C54' C53' 110.0(8) . .
C63' C54' C62' 69.3(12) 2_556 2_556
C55' C54' C62' 158.4(11) . 2_556
C53' C54' C62' 65.9(8) . 2_556
C61' C55' C54' 123.1(12) . .
C61' C55' C51' 118.1(12) . .
C54' C55' C51' 106.6(8) . .
C61' C55' C63' 96.7(10) . 2_556
C54' C55' C63' 26.9(6) . 2_556
C51' C55' C63' 130.1(8) . 2_556
C42' C56' C60' 119.5(10) . .
C42' C56' C57' 121.7(9) . .
C60' C56' C57' 108.3(7) . .
C47' C57' C56' 119.3(9) . .
C47' C57' C58' 118.0(8) . .
C56' C57' C58' 109.6(7) . .
C63' C58' C59' 114.6(12) . .
C63' C58' C57' 124.7(10) . .
C59' C58' C57' 107.3(8) . .
C58' C59' C60' 108.4(8) . .
C58' C59' C61' 103.0(10) . 2_556
C60' C59' C61' 132.6(10) . 2_556
C56' C60' C64' 118.9(10) . .
C56' C60' C59' 106.4(8) . .
C64' C60' C59' 120.8(10) . .
C55' C61' C66' 124.7(13) . .
C55' C61' C59' 112.0(11) . 2_556
C66' C61' C59' 109.0(11) . 2_556
C48' C62' C63' 118.5(9) . .
C48' C62' C54' 148.1(10) . 2_556
C63' C62' C54' 36.6(6) . 2_556
C48' C62' C53' 133.7(10) . 2_556
C63' C62' C53' 93.0(8) . 2_556
C54' C62' C53' 56.9(6) 2_556 2_556
C48' C62' C67' 90.6(8) . 2_556
C63' C62' C67' 135.5(10) . 2_556
C54' C62' C67' 101.8(8) 2_556 2_556
C53' C62' C67' 45.9(5) 2_556 2_556
C54' C63' C58' 155.0(18) 2_556 .
C54' C63' C62' 74.1(13) 2_556 .
C58' C63' C62' 117.4(10) . .
C54' C63' C55' 45.1(10) 2_556 2_556
C58' C63' C55' 113.3(11) . 2_556
C62' C63' C55' 115.9(9) . 2_556
C60' C64' C70' 121.4(12) . .
C60' C64' C68' 99.7(9) . 2_556
C70' C64' C68' 123.2(10) . 2_556
C65' C65' C67' 73.3(11) 2_556 .
C65' C65' C49' 152.7(13) 2_556 .
C67' C65' C49' 122.9(10) . .
C65' C65' C67' 57.9(10) 2_556 2_556
C67' C65' C67' 129.7(9) . 2_556
C49' C65' C67' 99.0(10) . 2_556
C44' C66' C68' 118.4(10) . .
C44' C66' C61' 119.2(11) . .
C68' C66' C61' 111.8(11) . .
C65' C67' C53' 127.0(10) . .
C65' C67' C65' 48.7(9) . 2_556
C53' C67' C65' 152.2(11) . 2_556
C65' C67' C62' 148.4(11) . 2_556
C53' C67' C62' 58.2(7) . 2_556
C65' C67' C62' 110.1(9) 2_556 2_556
C69' C68' C66' 123.9(10) . .
C69' C68' C64' 76.8(9) . 2_556
C66' C68' C64' 140.1(10) . 2_556
C68' C69' C70' 116.9(10) . .
C68' C69' C69' 133.1(12) . 2_556
C70' C69' C69' 93.9(11) . 2_556
C43' C70' C69' 120.6(10) . .
C43' C70' C64' 116.0(13) . .
C69' C70' C64' 108.4(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C8 N2 1.383(5) .
C8 C9 1.406(5) .
C8 C7 1.446(5) .
C7 C6 1.347(6) .
C6 C5 1.451(5) .
C5 N2 1.377(5) .
C5 C4 1.404(5) .
C4 C3 1.405(5) .
C4 C11 1.503(5) .
C3 N1 1.386(5) .
C3 C2 1.443(5) .
C2 C1 1.347(6) .
C10 N1 1.374(5) 2_556
C10 C9 1.417(5) .
C10 C1 1.448(5) 2_556
C9 C17 1.501(5) .
C11 C12 1.392(6) .
C11 C16 1.397(6) .
C12 C13 1.387(6) .
C13 C14 1.366(7) .
C14 C15 1.378(7) .
C14 Cl2 1.755(4) .
C15 C16 1.394(6) .
C17 C18 1.389(6) .
C17 C22 1.393(6) .
C18 C19 1.386(6) .
C19 C20 1.378(6) .
C20 C21 1.381(6) .
C20 Cl1 1.744(4) .
C21 C22 1.381(6) .
C23 N3 1.329(5) 2_556
C23 N4 1.370(5) .
C23 C24 1.461(5) .
C24 C25 1.387(5) .
C24 C29 1.404(5) .
C25 C26 1.392(6) .
C26 C27 1.403(6) .
C27 C28 1.396(6) .
C28 C29 1.381(5) .
C29 C30 1.469(5) .
C30 N5 1.337(5) .
C30 N4 1.366(5) .
C31 N5 1.329(5) .
C31 N6 1.367(5) .
C31 C32 1.470(5) .
C32 C33 1.378(5) .
C32 C37 1.387(5) .
C33 C34 1.400(6) .
C34 C35 1.385(6) .
C35 C36 1.385(6) .
C36 C37 1.394(5) .
C37 C38 1.461(5) .
C38 N3 1.337(5) .
C38 N6 1.374(5) .
N1 C10 1.374(5) 2_556
N1 Dy1 2.426(3) .
N2 Dy1 2.417(3) .
N3 C23 1.329(5) 2_556
N4 Dy1 2.465(3) .
N6 Dy1 2.473(3) .
Dy1 N2 2.417(3) 2_556
Dy1 N1 2.426(3) 2_556
Dy1 N4 2.465(3) 2_556
Dy1 N6 2.473(3) 2_556
C1 C10 1.448(5) 2_556
C41 C46 1.381(11) .
C41 C42 1.443(11) .
C41 C45 1.448(11) .
C42 C61 1.399(13) .
C42 C43 1.450(11) .
C43 C58 1.394(11) .
C43 C44 1.464(11) .
C44 C55 1.361(11) .
C44 C45 1.463(11) .
C45 C51 1.362(10) .
C46 C47 1.436(11) .
C46 C50 1.455(11) .
C47 C62 1.376(10) .
C47 C48 1.452(11) .
C48 C65 1.220(11) .
C48 C49 1.353(12) .
C49 C68 1.404(13) .
C49 C50 1.501(12) .
C50 C52 1.361(11) .
C51 C53 1.457(11) .
C51 C52 1.469(11) .
C52 C66 1.331(12) .
C53 C54 1.349(16) .
C53 C69 1.380(11) .
C54 C55 1.475(15) .
C54 C70 1.917(18) 2_556
C55 C56 1.652(14) .
C56 C57 1.293(11) .
C56 C59 1.556(15) 2_556
C57 C58 1.475(11) .
C57 C57 1.506(13) 2_556
C57 C59 1.887(12) 2_556
C58 C59 1.408(11) .
C59 C60 1.452(11) .
C59 C56 1.556(15) 2_556
C59 C57 1.887(12) 2_556
C60 C61 1.440(11) .
C60 C70 1.456(12) .
C61 C62 1.429(11) .
C62 C63 1.476(11) .
C63 C64 1.382(11) .
C63 C70 1.455(13) .
C64 C69 1.186(12) 2_556
C64 C65 1.444(12) .
C65 C67 1.431(12) 2_556
C66 C67 1.381(12) .
C66 C69 1.509(11) .
C67 C65 1.431(12) 2_556
C67 C68 1.581(16) .
C67 C68 1.942(18) 2_556
C68 C68 1.10(2) 2_556
C68 C67 1.942(18) 2_556
C69 C64 1.186(12) 2_556
C70 C54 1.917(18) 2_556
C41' C46' 1.387(12) .
C41' C42' 1.438(12) .
C41' C45' 1.464(12) .
C42' C56' 1.405(11) .
C42' C43' 1.448(12) .
C43' C70' 1.376(13) .
C43' C44' 1.464(12) .
C44' C66' 1.367(12) .
C44' C45' 1.424(12) .
C45' C51' 1.470(15) .
C46' C50' 1.450(12) .
C46' C47' 1.453(11) .
C47' C57' 1.364(11) .
C47' C48' 1.457(11) .
C48' C49' 1.381(12) .
C48' C62' 1.382(12) .
C49' C65' 1.392(12) .
C49' C50' 1.470(12) .
C50' C52' 1.387(12) .
C51' C52' 1.438(12) .
C51' C55' 1.456(12) .
C52' C53' 1.468(11) .
C53' C67' 1.360(12) .
C53' C54' 1.476(12) .
C53' C62' 1.609(15) 2_556
C54' C63' 0.918(14) 2_556
C54' C55' 1.439(13) .
C54' C62' 1.483(17) 2_556
C55' C61' 1.359(18) .
C55' C63' 1.931(18) 2_556
C56' C60' 1.426(12) .
C56' C57' 1.426(11) .
C57' C58' 1.459(11) .
C58' C63' 1.354(13) .
C58' C59' 1.400(12) .
C59' C60' 1.513(13) .
C59' C61' 1.93(2) 2_556
C60' C64' 1.461(17) .
C61' C66' 1.450(19) .
C61' C59' 1.93(2) 2_556
C62' C63' 1.442(17) .
C62' C54' 1.483(17) 2_556
C62' C53' 1.609(15) 2_556
C62' C67' 1.836(17) 2_556
C63' C54' 0.918(14) 2_556
C63' C55' 1.931(18) 2_556
C64' C70' 1.490(18) .
C64' C68' 2.009(17) 2_556
C65' C65' 1.18(2) 2_556
C65' C67' 1.332(15) .
C65' C67' 1.505(16) 2_556
C66' C68' 1.445(16) .
C67' C65' 1.505(16) 2_556
C67' C62' 1.836(17) 2_556
C68' C69' 1.361(14) .
C68' C64' 2.009(17) 2_556
C69' C70' 1.470(17) .
C69' C69' 1.99(2) 2_556
