#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:39:43 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180480 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/49/7214985.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_7214985
loop_
_publ_author_name
'Chen, Kai'
'Liang, Li-Li'
'Liu, Hao-Jing'
'Zhang, Yun-Qian'
'Xue, Sai-Feng'
'Tao, Zhu'
'Xiao, Xin'
'Zhu, Qian-Jiang'
'Lindoy, Leonard F.'
'Wei, Gang'
_publ_section_title
;
 Hydroquinone-assisted assembly of coordination polymers from lanthanides
 and cucurbit[5]uril
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              7994
_journal_paper_doi               10.1039/c2ce26200b
_journal_volume                  14
_journal_year                    2012
_chemical_absolute_configuration ' R '
_chemical_formula_sum            'C36 H62 Dy N23 O34'
_chemical_formula_weight         1523.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           169
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 61'
_symmetry_space_group_name_H-M   'P 61'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   14.4478(18)
_cell_length_b                   14.4478(18)
_cell_length_c                   46.109(12)
_cell_measurement_temperature    223(2)
_cell_volume                     8335(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker Smart Apex2 CCD detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       56
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_number            58125
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.469
_exptl_absorpt_correction_T_max  0.7478
_exptl_absorpt_correction_T_min  0.6588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4662
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         1.089
_refine_diff_density_min         -0.977
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.021(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     706
_refine_ls_number_reflns         10420
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0644P)²+11.4862P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1091
_reflns_number_gt                9570
_reflns_number_total             10420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26200b.txt
_cod_data_source_block           05
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'multi scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7214985
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'x-y, x, z+1/6'
'y, -x+y, z+5/6'
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
Dy1 Dy 0.33112(2) 0.54014(2) 0.596953(17) 0.01964(8) Uani 1 1 d .
O1W O 0.3102(4) 0.6831(4) 0.58002(10) 0.0319(10) Uani 1 1 d .
O2W O 0.1500(3) 0.4883(3) 0.59688(13) 0.0341(10) Uani 1 1 d .
O3W O 0.4434(3) 0.4672(4) 0.59903(12) 0.0342(10) Uani 1 1 d .
O4W O 0.5067(4) 0.6799(4) 0.60741(11) 0.0372(12) Uani 1 1 d .
C1 C 0.4159(5) 0.6177(5) 0.52662(14) 0.0232(13) Uani 1 1 d .
C2 C 0.2214(5) 0.5118(5) 0.51993(13) 0.0229(13) Uani 1 1 d .
H2A H 0.2160 0.5341 0.5396 0.028 Uiso 1 1 calc R
H2B H 0.1709 0.5206 0.5077 0.028 Uiso 1 1 calc R
C3 C 0.2085(5) 0.3504(5) 0.54245(14) 0.0231(13) Uani 1 1 d .
C4 C 0.1695(5) 0.1685(5) 0.55438(15) 0.0296(14) Uani 1 1 d .
H4A H 0.1654 0.1912 0.5741 0.036 Uiso 1 1 calc R
H4B H 0.1025 0.1022 0.5504 0.036 Uiso 1 1 calc R
C5 C 0.3442(5) 0.1963(5) 0.57088(13) 0.0252(13) Uani 1 1 d .
C6 C 0.5091(6) 0.1923(6) 0.57992(15) 0.0300(15) Uani 1 1 d .
H6A H 0.5171 0.1290 0.5811 0.036 Uiso 1 1 calc R
H6B H 0.4979 0.2101 0.5996 0.036 Uiso 1 1 calc R
C7 C 0.6432(5) 0.3847(5) 0.57607(13) 0.0219(13) Uani 1 1 d .
C8 C 0.7850(5) 0.5651(5) 0.56136(13) 0.0222(13) Uani 1 1 d .
H8A H 0.8613 0.5933 0.5578 0.027 Uiso 1 1 calc R
H8B H 0.7774 0.5868 0.5809 0.027 Uiso 1 1 calc R
C9 C 0.6807(5) 0.6523(5) 0.54897(14) 0.0231(13) Uani 1 1 d .
C10 C 0.6051(4) 0.7555(4) 0.52588(13) 0.0195(12) Uani 1 1 d .
H10A H 0.5896 0.7667 0.5458 0.023 Uiso 1 1 calc R
H10B H 0.6399 0.8250 0.5161 0.023 Uiso 1 1 calc R
C11 C 0.4803(4) 0.7000(4) 0.48172(13) 0.0178(12) Uani 1 1 d .
H11 H 0.5004 0.7751 0.4778 0.021 Uiso 1 1 calc R
C12 C 0.7409(4) 0.7180(4) 0.50175(13) 0.0194(12) Uani 1 1 d .
H12 H 0.7937 0.7924 0.4963 0.023 Uiso 1 1 calc R
C13 C 0.7962(5) 0.6563(5) 0.51265(14) 0.0231(13) Uani 1 1 d .
H13 H 0.8742 0.7043 0.5148 0.028 Uiso 1 1 calc R
C14 C 0.7575(5) 0.3929(5) 0.53960(13) 0.0223(12) Uani 1 1 d .
H14 H 0.8312 0.4066 0.5424 0.027 Uiso 1 1 calc R
C15 C 0.6708(5) 0.2713(5) 0.54514(12) 0.0222(13) Uani 1 1 d .
H15 H 0.7042 0.2290 0.5513 0.027 Uiso 1 1 calc R
C16 C 0.3729(5) 0.0827(5) 0.54074(15) 0.0286(14) Uani 1 1 d .
H16 H 0.3621 0.0138 0.5483 0.034 Uiso 1 1 calc R
C17 C 0.2659(5) 0.0765(5) 0.53216(13) 0.0234(13) Uani 1 1 d .
H17 H 0.2053 0.0027 0.5343 0.028 Uiso 1 1 calc R
C18 C 0.1327(5) 0.2258(5) 0.50506(13) 0.0239(13) Uani 1 1 d .
H18 H 0.0561 0.1703 0.5058 0.029 Uiso 1 1 calc R
C19 C 0.1475(5) 0.3317(5) 0.49430(14) 0.0239(13) Uani 1 1 d .
H19 H 0.0791 0.3253 0.4879 0.029 Uiso 1 1 calc R
C20 C 0.3564(5) 0.6232(5) 0.47988(14) 0.0224(13) Uani 1 1 d .
H20 H 0.3187 0.6618 0.4742 0.027 Uiso 1 1 calc R
C21 C 0.4437(5) 0.5679(5) 0.44659(12) 0.0224(13) Uani 1 1 d .
C22 C 0.2494(5) 0.4496(5) 0.45081(13) 0.0212(12) Uani 1 1 d .
H22A H 0.2558 0.4279 0.4311 0.025 Uiso 1 1 calc R
H22B H 0.1902 0.4644 0.4508 0.025 Uiso 1 1 calc R
C23 C 0.2368(4) 0.2791(5) 0.46312(13) 0.0239(13) Uani 1 1 d .
C24 C 0.1976(5) 0.1045(5) 0.48352(14) 0.0272(14) Uani 1 1 d .
H24A H 0.1288 0.0437 0.4894 0.033 Uiso 1 1 calc R
H24B H 0.2117 0.0914 0.4636 0.033 Uiso 1 1 calc R
C25 C 0.5364(5) 0.1267(5) 0.51075(15) 0.0274(14) Uani 1 1 d .
H25A H 0.5466 0.1094 0.4909 0.033 Uiso 1 1 calc R
H25B H 0.5438 0.0776 0.5239 0.033 Uiso 1 1 calc R
C26 C 0.8037(5) 0.4965(5) 0.49093(14) 0.0233(12) Uani 1 1 d .
H26A H 0.8036 0.4723 0.4711 0.028 Uiso 1 1 calc R
H26B H 0.8769 0.5289 0.4983 0.028 Uiso 1 1 calc R
C27 C 0.7039(4) 0.5791(4) 0.46950(12) 0.0165(11) Uani 1 1 d .
C28 C 0.6335(5) 0.6947(5) 0.45572(13) 0.0205(12) Uani 1 1 d .
H28A H 0.6725 0.7730 0.4565 0.025 Uiso 1 1 calc R
H28B H 0.6441 0.6738 0.4363 0.025 Uiso 1 1 calc R
C29 C 0.6569(5) 0.3138(5) 0.49743(12) 0.0196(12) Uani 1 1 d .
C30 C 0.3758(5) 0.1254(5) 0.49143(14) 0.0220(12) Uani 1 1 d .
N1 N 0.5054(4) 0.6857(4) 0.51128(11) 0.0221(10) Uani 1 1 d .
N2 N 0.3294(4) 0.5815(4) 0.50914(11) 0.0196(10) Uani 1 1 d .
N3 N 0.1916(4) 0.4020(4) 0.52039(11) 0.0221(11) Uani 1 1 d .
N4 N 0.1804(4) 0.2503(4) 0.53408(11) 0.0232(11) Uani 1 1 d .
N5 N 0.2571(4) 0.1477(4) 0.55263(11) 0.0260(11) Uani 1 1 d .
N6 N 0.4166(4) 0.1671(4) 0.56282(12) 0.0289(12) Uani 1 1 d .
N7 N 0.6071(4) 0.2807(4) 0.56846(11) 0.0261(11) Uani 1 1 d .
N8 N 0.7306(4) 0.4496(4) 0.56012(11) 0.0234(11) Uani 1 1 d .
N9 N 0.7451(4) 0.6125(4) 0.54057(11) 0.0207(10) Uani 1 1 d .
N10 N 0.6797(4) 0.7144(4) 0.52657(11) 0.0188(10) Uani 1 1 d .
N11 N 0.6799(4) 0.6557(4) 0.47663(11) 0.0213(10) Uani 1 1 d .
N12 N 0.7720(4) 0.5769(4) 0.49033(11) 0.0206(10) Uani 1 1 d .
N13 N 0.7352(4) 0.4055(4) 0.50855(11) 0.0232(11) Uani 1 1 d .
N14 N 0.6181(4) 0.2363(4) 0.51747(12) 0.0260(11) Uani 1 1 d .
N15 N 0.4312(4) 0.1126(4) 0.51357(11) 0.0237(11) Uani 1 1 d .
N16 N 0.2803(4) 0.1092(4) 0.50218(11) 0.0228(11) Uani 1 1 d .
N17 N 0.1892(4) 0.2003(4) 0.48391(12) 0.0277(12) Uani 1 1 d .
N18 N 0.2228(4) 0.3604(4) 0.47048(12) 0.0255(11) Uani 1 1 d .
N19 N 0.3473(4) 0.5477(4) 0.45788(14) 0.0244(13) Uani 1 1 d .
N20 N 0.5222(4) 0.6578(4) 0.45952(11) 0.0201(10) Uani 1 1 d .
O1 O 0.4163(3) 0.5948(3) 0.55252(9) 0.0237(9) Uani 1 1 d .
O2 O 0.2423(3) 0.3881(3) 0.56691(9) 0.0243(9) Uani 1 1 d .
O3 O 0.3531(4) 0.2534(4) 0.59152(10) 0.0344(11) Uani 1 1 d .
O4 O 0.6085(3) 0.4154(4) 0.59588(11) 0.0335(10) Uani 1 1 d .
O5 O 0.6376(4) 0.6377(4) 0.57246(10) 0.0277(10) Uani 1 1 d .
O6 O 0.4562(3) 0.5168(3) 0.42789(10) 0.0279(9) Uani 1 1 d .
O7 O 0.2819(3) 0.2723(3) 0.44131(10) 0.0278(10) Uani 1 1 d .
O8 O 0.6717(3) 0.5228(3) 0.44803(10) 0.0256(9) Uani 1 1 d .
O9 O 0.4050(3) 0.1458(3) 0.46614(9) 0.0239(9) Uani 1 1 d .
O10 O 0.6267(3) 0.3043(3) 0.47161(9) 0.0250(9) Uani 1 1 d .
C31 C 1.0458(9) 0.9329(8) 0.6088(2) 0.065(3) Uani 1 1 d .
H31 H 0.9961 0.9480 0.6176 0.078 Uiso 1 1 calc R
C32 C 1.1463(8) 0.9782(8) 0.6203(3) 0.065(3) Uani 1 1 d .
H32 H 1.1655 1.0242 0.6364 0.078 Uiso 1 1 calc R
C33 C 1.2191(9) 0.9549(10) 0.6076(4) 0.092(5) Uani 1 1 d .
C34 C 1.1849(13) 0.8824(11) 0.5836(3) 0.095(5) Uani 1 1 d .
H34 H 1.2320 0.8634 0.5749 0.114 Uiso 1 1 calc R
C35 C 1.0829(11) 0.8411(7) 0.5734(3) 0.075(4) Uani 1 1 d .
H35 H 1.0611 0.7935 0.5576 0.090 Uiso 1 1 calc R
C36 C 1.0133(9) 0.8652(7) 0.5848(2) 0.066(3) Uani 1 1 d .
O11 O 0.9132(6) 0.8179(6) 0.57228(18) 0.078(2) Uiso 1 1 d .
H11A H 0.8755 0.8374 0.5810 0.117 Uiso 1 1 calc R
O12 O 1.3219(9) 0.9960(9) 0.6183(3) 0.123(3) Uiso 1 1 d .
H12A H 1.3314 1.0374 0.6319 0.185 Uiso 1 1 calc R
N21 N 0.8605(11) 0.2788(12) 0.4953(3) 0.119(5) Uiso 1 1 d D
N22 N 0.7911(8) 0.9525(9) 0.6066(2) 0.082(3) Uiso 1 1 d .
N23 N 0.7822(16) 0.6088(15) 0.3340(5) 0.309(16) Uiso 1 1 d D
O13 O 0.8634(10) 0.3143(10) 0.4704(3) 0.170(6) Uani 1 1 d D
O14 O 0.9342(9) 0.3399(11) 0.5125(3) 0.154(5) Uani 1 1 d D
O15 O 0.7934(13) 0.1894(13) 0.5053(4) 0.201(7) Uiso 1 1 d D
O16 O 0.7714(8) 0.8822(8) 0.5862(2) 0.105(3) Uiso 1 1 d .
O17 O 0.7780(8) 1.0266(9) 0.6026(3) 0.119(3) Uiso 1 1 d .
O18 O 0.8089(11) 0.9246(11) 0.6301(4) 0.156(5) Uiso 1 1 d .
O19 O 0.8732(16) 0.623(2) 0.3371(9) 0.44(2) Uiso 1 1 d D
O20 O 0.754(2) 0.6758(16) 0.3309(7) 0.333(15) Uiso 1 1 d D
O21 O 0.7087(12) 0.5141(13) 0.3334(4) 0.171(5) Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 '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
O1 Dy1 O10 134.95(14) . 5
O1 Dy1 O2W 115.30(17) . .
O10 Dy1 O2W 79.60(16) 5 .
O1 Dy1 O3W 79.61(17) . .
O10 Dy1 O3W 116.56(16) 5 .
O2W Dy1 O3W 140.80(15) . .
O1 Dy1 O2 75.35(15) . .
O10 Dy1 O2 146.51(15) 5 .
O2W Dy1 O2 72.56(16) . .
O3W Dy1 O2 77.35(16) . .
O1 Dy1 O1W 71.84(15) . .
O10 Dy1 O1W 74.61(16) 5 .
O2W Dy1 O1W 70.57(16) . .
O3W Dy1 O1W 145.92(16) . .
O2 Dy1 O1W 111.84(17) . .
O1 Dy1 O9 147.00(15) . 5
O10 Dy1 O9 75.58(14) 5 5
O2W Dy1 O9 77.12(16) . 5
O3W Dy1 O9 73.52(16) . 5
O2 Dy1 O9 80.32(14) . 5
O1W Dy1 O9 139.17(15) . 5
O1 Dy1 O4W 74.33(16) . .
O10 Dy1 O4W 72.36(16) 5 .
O2W Dy1 O4W 145.48(16) . .
O3W Dy1 O4W 71.77(17) . .
O2 Dy1 O4W 139.81(15) . .
O1W Dy1 O4W 82.71(18) . .
O9 Dy1 O4W 113.69(16) 5 .
O1 C1 N2 126.7(5) . .
O1 C1 N1 124.2(6) . .
N2 C1 N1 109.2(6) . .
N3 C2 N2 113.5(5) . .
N3 C2 H2A 108.9 . .
N2 C2 H2A 108.9 . .
N3 C2 H2B 108.9 . .
N2 C2 H2B 108.9 . .
H2A C2 H2B 107.7 . .
O2 C3 N4 124.8(6) . .
O2 C3 N3 125.6(6) . .
N4 C3 N3 109.5(5) . .
N5 C4 N4 112.6(5) . .
N5 C4 H4A 109.1 . .
N4 C4 H4A 109.1 . .
N5 C4 H4B 109.1 . .
N4 C4 H4B 109.1 . .
H4A C4 H4B 107.8 . .
O3 C5 N6 125.7(6) . .
O3 C5 N5 125.4(6) . .
N6 C5 N5 108.8(5) . .
N6 C6 N7 113.5(5) . .
N6 C6 H6A 108.9 . .
N7 C6 H6A 108.9 . .
N6 C6 H6B 108.9 . .
N7 C6 H6B 108.9 . .
H6A C6 H6B 107.7 . .
O4 C7 N8 124.3(6) . .
O4 C7 N7 126.0(6) . .
N8 C7 N7 109.4(5) . .
N8 C8 N9 113.8(5) . .
N8 C8 H8A 108.8 . .
N9 C8 H8A 108.8 . .
N8 C8 H8B 108.8 . .
N9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
O5 C9 N9 125.2(6) . .
O5 C9 N10 127.8(5) . .
N9 C9 N10 107.0(5) . .
N1 C10 N10 113.9(5) . .
N1 C10 H10A 108.8 . .
N10 C10 H10A 108.8 . .
N1 C10 H10B 108.8 . .
N10 C10 H10B 108.8 . .
H10A C10 H10B 107.7 . .
N1 C11 N20 114.3(4) . .
N1 C11 C20 103.2(4) . .
N20 C11 C20 103.4(4) . .
N1 C11 H11 111.8 . .
N20 C11 H11 111.8 . .
C20 C11 H11 111.8 . .
N10 C12 N11 116.1(5) . .
N10 C12 C13 101.9(5) . .
N11 C12 C13 103.2(5) . .
N10 C12 H12 111.6 . .
N11 C12 H12 111.6 . .
C13 C12 H12 111.6 . .
N12 C13 N9 114.4(5) . .
N12 C13 C12 103.7(5) . .
N9 C13 C12 103.9(4) . .
N12 C13 H13 111.4 . .
N9 C13 H13 111.4 . .
C12 C13 H13 111.4 . .
N8 C14 N13 115.3(5) . .
N8 C14 C15 103.8(5) . .
N13 C14 C15 100.9(4) . .
N8 C14 H14 112.0 . .
N13 C14 H14 112.0 . .
C15 C14 H14 112.0 . .
N14 C15 N7 115.8(5) . .
N14 C15 C14 103.4(4) . .
N7 C15 C14 101.5(5) . .
N14 C15 H15 111.8 . .
N7 C15 H15 111.8 . .
C14 C15 H15 111.8 . .
N15 C16 N6 114.1(5) . .
N15 C16 C17 102.2(5) . .
N6 C16 C17 103.1(5) . .
N15 C16 H16 112.3 . .
N6 C16 H16 112.3 . .
C17 C16 H16 112.3 . .
N16 C17 N5 116.2(5) . .
N16 C17 C16 104.4(5) . .
N5 C17 C16 103.4(5) . .
N16 C17 H17 110.8 . .
N5 C17 H17 110.8 . .
C16 C17 H17 110.8 . .
N17 C18 N4 115.0(5) . .
N17 C18 C19 103.0(5) . .
N4 C18 C19 104.1(5) . .
N17 C18 H18 111.4 . .
N4 C18 H18 111.4 . .
C19 C18 H18 111.4 . .
N18 C19 N3 114.2(5) . .
N18 C19 C18 104.0(5) . .
N3 C19 C18 102.6(5) . .
N18 C19 H19 111.8 . .
N3 C19 H19 111.8 . .
C18 C19 H19 111.8 . .
N19 C20 N2 115.8(5) . .
N19 C20 C11 102.2(4) . .
N2 C20 C11 102.6(4) . .
N19 C20 H20 111.8 . .
N2 C20 H20 111.8 . .
C11 C20 H20 111.8 . .
O6 C21 N20 126.1(6) . .
O6 C21 N19 125.9(6) . .
N20 C21 N19 108.0(5) . .
N19 C22 N18 114.8(5) . .
N19 C22 H22A 108.6 . .
N18 C22 H22A 108.6 . .
N19 C22 H22B 108.6 . .
N18 C22 H22B 108.6 . .
H22A C22 H22B 107.5 . .
O7 C23 N18 126.9(6) . .
O7 C23 N17 124.6(6) . .
N18 C23 N17 108.5(5) . .
N16 C24 N17 114.2(5) . .
N16 C24 H24A 108.7 . .
N17 C24 H24A 108.7 . .
N16 C24 H24B 108.7 . .
N17 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
N15 C25 N14 111.1(5) . .
N15 C25 H25A 109.4 . .
N14 C25 H25A 109.4 . .
N15 C25 H25B 109.4 . .
N14 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
N13 C26 N12 113.3(5) . .
N13 C26 H26A 108.9 . .
N12 C26 H26A 108.9 . .
N13 C26 H26B 108.9 . .
N12 C26 H26B 108.9 . .
H26A C26 H26B 107.7 . .
O8 C27 N11 125.1(5) . .
O8 C27 N12 125.9(5) . .
N11 C27 N12 109.0(5) . .
N20 C28 N11 115.4(5) . .
N20 C28 H28A 108.4 . .
N11 C28 H28A 108.4 . .
N20 C28 H28B 108.4 . .
N11 C28 H28B 108.4 . .
H28A C28 H28B 107.5 . .
O10 C29 N14 126.0(6) . .
O10 C29 N13 123.2(5) . .
N14 C29 N13 110.9(5) . .
O9 C30 N15 126.1(6) . .
O9 C30 N16 125.5(5) . .
N15 C30 N16 108.4(5) . .
C1 N1 C10 121.0(5) . .
C1 N1 C11 112.0(5) . .
C10 N1 C11 124.8(5) . .
C1 N2 C20 112.9(5) . .
C1 N2 C2 121.8(5) . .
C20 N2 C2 125.2(5) . .
C3 N3 C2 126.0(5) . .
C3 N3 C19 111.4(5) . .
C2 N3 C19 122.3(5) . .
C3 N4 C4 122.7(5) . .
C3 N4 C18 111.9(5) . .
C4 N4 C18 123.0(5) . .
C5 N5 C4 122.2(5) . .
C5 N5 C17 112.2(5) . .
C4 N5 C17 125.6(5) . .
C5 N6 C6 122.3(6) . .
C5 N6 C16 111.7(5) . .
C6 N6 C16 123.5(5) . .
C7 N7 C6 122.8(5) . .
C7 N7 C15 112.2(5) . .
C6 N7 C15 124.5(5) . .
C7 N8 C14 113.0(5) . .
C7 N8 C8 123.9(5) . .
C14 N8 C8 122.8(5) . .
C9 N9 C8 121.5(5) . .
C9 N9 C13 111.7(5) . .
C8 N9 C13 123.4(5) . .
C9 N10 C12 114.7(5) . .
C9 N10 C10 122.0(5) . .
C12 N10 C10 122.2(5) . .
C27 N11 C28 121.1(5) . .
C27 N11 C12 111.9(5) . .
C28 N11 C12 123.0(5) . .
C27 N12 C26 123.0(5) . .
C27 N12 C13 111.5(5) . .
C26 N12 C13 125.1(5) . .
C29 N13 C26 122.8(5) . .
C29 N13 C14 111.8(5) . .
C26 N13 C14 124.0(5) . .
C29 N14 C15 113.0(5) . .
C29 N14 C25 122.3(5) . .
C15 N14 C25 124.6(5) . .
C30 N15 C25 124.3(5) . .
C30 N15 C16 113.2(5) . .
C25 N15 C16 122.5(5) . .
C30 N16 C17 111.7(5) . .
C30 N16 C24 122.0(5) . .
C17 N16 C24 125.1(5) . .
C23 N17 C18 111.9(5) . .
C23 N17 C24 122.3(5) . .
C18 N17 C24 125.8(5) . .
C23 N18 C19 111.3(5) . .
C23 N18 C22 122.0(5) . .
C19 N18 C22 123.4(5) . .
C21 N19 C20 113.9(5) . .
C21 N19 C22 120.7(5) . .
C20 N19 C22 124.8(5) . .
C21 N20 C28 123.2(5) . .
C21 N20 C11 112.4(5) . .
C28 N20 C11 123.4(5) . .
C1 O1 Dy1 150.5(4) . .
C3 O2 Dy1 148.5(4) . .
C30 O9 Dy1 151.2(4) . 6_554
C29 O10 Dy1 154.4(4) . 6_554
C32 C31 C36 123.2(10) . .
C32 C31 H31 118.4 . .
C36 C31 H31 118.4 . .
C31 C32 C33 118.4(12) . .
C31 C32 H32 120.8 . .
C33 C32 H32 120.8 . .
C32 C33 O12 121.9(16) . .
C32 C33 C34 118.5(12) . .
O12 C33 C34 119.5(15) . .
C35 C34 C33 119.2(11) . .
C35 C34 H34 120.4 . .
C33 C34 H34 120.4 . .
C36 C35 C34 122.8(13) . .
C36 C35 H35 118.6 . .
C34 C35 H35 118.6 . .
C35 C36 O11 116.6(11) . .
C35 C36 C31 117.8(12) . .
O11 C36 C31 125.6(9) . .
C36 O11 H11A 109.5 . .
C33 O12 H12A 109.5 . .
O13 N21 O15 128(2) . .
O13 N21 O14 116.4(17) . .
O15 N21 O14 115.9(18) . .
O17 N22 O18 125.9(13) . .
O17 N22 O16 121.0(12) . .
O18 N22 O16 112.4(12) . .
O20 N23 O19 128.7(17) . .
O20 N23 O21 115.3(15) . .
O19 N23 O21 116.0(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.316(4) .
Dy1 O10 2.317(4) 5
Dy1 O2W 2.335(4) .
Dy1 O3W 2.337(4) .
Dy1 O2 2.361(4) .
Dy1 O1W 2.365(4) .
Dy1 O9 2.365(4) 5
Dy1 O4W 2.371(5) .
C1 O1 1.240(8) .
C1 N2 1.353(8) .
C1 N1 1.367(8) .
C2 N3 1.422(8) .
C2 N2 1.458(8) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C3 O2 1.241(8) .
C3 N4 1.349(8) .
C3 N3 1.353(8) .
C4 N5 1.443(9) .
C4 N4 1.453(8) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C5 O3 1.223(8) .
C5 N6 1.360(8) .
C5 N5 1.378(8) .
C6 N6 1.433(9) .
C6 N7 1.452(9) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 O4 1.226(8) .
C7 N8 1.353(8) .
C7 N7 1.367(8) .
C8 N8 1.447(8) .
C8 N9 1.455(7) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C9 O5 1.214(8) .
C9 N9 1.371(8) .
C9 N10 1.373(8) .
C10 N1 1.447(7) .
C10 N10 1.467(7) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C11 N1 1.451(8) .
C11 N20 1.468(7) .
C11 C20 1.568(8) .
C11 H11 0.9900 .
C12 N10 1.431(7) .
C12 N11 1.461(8) .
C12 C13 1.548(8) .
C12 H12 0.9900 .
C13 N12 1.449(8) .
C13 N9 1.461(8) .
C13 H13 0.9900 .
C14 N8 1.427(8) .
C14 N13 1.498(8) .
C14 C15 1.588(9) .
C14 H14 0.9900 .
C15 N14 1.442(8) .
C15 N7 1.465(8) .
C15 H15 0.9900 .
C16 N15 1.450(8) .
C16 N6 1.467(9) .
C16 C17 1.554(9) .
C16 H16 0.9900 .
C17 N16 1.442(8) .
C17 N5 1.448(8) .
C17 H17 0.9900 .
C18 N17 1.433(8) .
C18 N4 1.466(8) .
C18 C19 1.519(9) .
C18 H18 0.9900 .
C19 N18 1.453(8) .
C19 N3 1.495(8) .
C19 H19 0.9900 .
C20 N19 1.447(8) .
C20 N2 1.449(8) .
C20 H20 0.9900 .
C21 O6 1.206(7) .
C21 N20 1.362(8) .
C21 N19 1.375(8) .
C22 N19 1.452(8) .
C22 N18 1.462(8) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C23 O7 1.229(8) .
C23 N18 1.332(8) .
C23 N17 1.380(8) .
C24 N16 1.446(8) .
C24 N17 1.450(8) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C25 N15 1.435(8) .
C25 N14 1.459(8) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C26 N13 1.438(8) .
C26 N12 1.445(7) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C27 O8 1.216(7) .
C27 N11 1.356(7) .
C27 N12 1.387(7) .
C28 N20 1.430(7) .
C28 N11 1.439(7) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C29 O10 1.252(7) .
C29 N14 1.339(8) .
C29 N13 1.341(8) .
C30 O9 1.225(8) .
C30 N15 1.366(8) .
C30 N16 1.371(8) .
O9 Dy1 2.365(4) 6_554
O10 Dy1 2.317(4) 6_554
C31 C32 1.365(15) .
C31 C36 1.396(15) .
C31 H31 0.9400 .
C32 C33 1.385(18) .
C32 H32 0.9400 .
C33 O12 1.385(16) .
C33 C34 1.43(2) .
C34 C35 1.368(19) .
C34 H34 0.9400 .
C35 C36 1.327(14) .
C35 H35 0.9400 .
C36 O11 1.379(14) .
O11 H11A 0.8300 .
O12 H12A 0.8300 .
N21 O13 1.251(2) .
N21 O15 1.253(2) .
N21 O14 1.265(18) .
N22 O17 1.191(12) .
N22 O18 1.228(16) .
N22 O16 1.308(13) .
N23 O20 1.231(9) .
N23 O19 1.233(9) .
N23 O21 1.244(10) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.064 0.530 0.181 45 7 ' '
2 0.121 0.090 0.199 56 25 ' '
3 -0.030 0.319 0.309 29 10 ' '
4 0.032 0.120 0.366 56 25 ' '
5 -0.080 0.411 0.385 73 29 ' '
6 0.064 0.469 0.681 45 7 ' '
7 -0.121 0.910 0.699 57 25 ' '
8 0.030 0.680 0.809 29 10 ' '
9 -0.032 0.880 0.866 57 25 ' '
10 0.080 0.588 0.885 73 29 ' '
11 0.090 -0.031 0.033 56 25 ' '
12 0.056 0.590 0.546 22 9 ' '
13 0.053 0.520 0.467 13 8 ' '
14 0.321 0.351 0.142 29 10 ' '
15 0.351 0.030 0.976 28 10 ' '
16 0.411 0.492 0.218 73 29 ' '
17 0.492 0.080 0.051 74 29 ' '
18 0.405 0.936 0.347 45 7 ' '
19 0.410 0.467 0.879 22 9 ' '
20 0.513 0.921 0.549 77 30 ' '
21 0.469 0.406 0.514 46 7 ' '
22 0.467 0.057 0.713 22 9 ' '
23 0.530 0.594 0.014 46 7 ' '
24 0.467 0.947 0.134 13 8 ' '
25 0.482 0.533 0.799 13 9 ' '
26 0.533 0.943 0.213 22 9 ' '
27 0.520 0.467 0.300 13 8 ' '
28 0.590 0.510 0.715 75 29 ' '
29 0.533 0.053 0.634 13 8 ' '
30 0.594 0.064 0.847 45 7 ' '
31 0.590 0.533 0.379 22 9 ' '
32 0.663 0.973 0.473 26 9 ' '
33 0.687 0.661 0.639 26 9 ' '
34 0.914 1.032 0.533 55 25 ' '
35 0.943 0.410 0.046 22 9 ' '
36 0.947 0.480 0.967 13 8 ' '
