#------------------------------------------------------------------------------
#$Date: 2017-06-08 08:04:40 +0300 (Thu, 08 Jun 2017) $
#$Revision: 197643 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/84/7228436.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_7228436
loop_
_publ_author_name
'Kong, Feng'
'Li, Meng'
'Zhou, Xigeng'
'Zhang, Lixin'
_publ_section_title
;
 Synthesis, structure and reactivity of guanidinate rare earth metal
 bis(o-aminobenzyl) complexes
;
_journal_issue                   47
_journal_name_full               'RSC Adv.'
_journal_page_first              29752
_journal_paper_doi               10.1039/C7RA04524G
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C59 H72 Dy N5 O4'
_chemical_formula_weight         1077.71
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-04-04 deposited with the CCDC.
2017-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                103.980(3)
_cell_angle_beta                 104.552(3)
_cell_angle_gamma                112.507(2)
_cell_formula_units_Z            2
_cell_length_a                   13.052(3)
_cell_length_b                   16.105(3)
_cell_length_c                   16.969(6)
_cell_measurement_reflns_used    4418
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.52
_cell_volume                     2953.2(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0616
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14407
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         1.339
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    1.310
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_description       block
_exptl_crystal_F_000             1118
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.350
_platon_squeeze_details
;
;
_refine_diff_density_max         1.004
_refine_diff_density_min         -0.697
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         10192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0454
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0528P)²+0.5320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.0940
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8287
_reflns_number_total             10192
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ra04524g2.cif
_cod_data_source_block           a60706aa
_cod_original_cell_volume        2953.3(13)
_cod_database_code               7228436
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.609
_shelx_estimated_absorpt_t_max   0.657
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.53203(2) 0.94936(2) 0.58503(2) 0.02885(8) Uani 1 1 d . .
O1 O 0.3819(3) 0.9898(2) 0.58898(19) 0.0424(7) Uani 1 1 d . .
O2 O 0.6403(2) 0.9323(2) 0.50081(18) 0.0397(7) Uani 1 1 d . .
O3 O 0.3790(3) 0.7979(2) 0.48213(19) 0.0442(8) Uani 1 1 d . .
O4 O 0.3907(2) 0.89733(19) 0.41330(19) 0.0391(7) Uani 1 1 d . .
N1 N 0.6858(3) 0.9997(2) 0.7227(2) 0.0309(8) Uani 1 1 d . .
N2 N 0.5273(3) 0.8555(2) 0.6708(2) 0.0314(8) Uani 1 1 d . .
N3 N 0.6878(3) 0.8972(3) 0.8045(2) 0.0438(9) Uani 1 1 d . .
N4 N 0.2423(4) 0.5462(3) 0.2277(4) 0.0741(14) Uani 1 1 d . .
N5 N 0.6515(4) 0.7427(3) 0.2816(3) 0.0608(11) Uani 1 1 d . .
C1 C 0.6344(4) 0.9165(3) 0.7346(3) 0.0322(9) Uani 1 1 d . .
C2 C 0.7721(4) 1.0922(3) 0.7878(3) 0.0374(10) Uani 1 1 d . .
C3 C 0.8810(4) 1.1427(3) 0.7799(3) 0.0442(11) Uani 1 1 d . .
C4 C 0.9620(5) 1.2367(4) 0.8402(4) 0.0617(15) Uani 1 1 d . .
H4 H 1.0347 1.2704 0.8356 0.074 Uiso 1 1 calc R U
C5 C 0.9348(6) 1.2801(4) 0.9070(4) 0.0727(18) Uani 1 1 d . .
H5 H 0.9902 1.3424 0.9477 0.087 Uiso 1 1 calc R U
C6 C 0.8274(5) 1.2326(4) 0.9143(3) 0.0659(15) Uani 1 1 d . .
H6 H 0.8096 1.2637 0.9586 0.079 Uiso 1 1 calc R U
C7 C 0.7458(4) 1.1394(3) 0.8566(3) 0.0452(11) Uani 1 1 d . .
C8 C 0.9156(4) 1.0978(3) 0.7083(3) 0.0522(13) Uani 1 1 d . .
H8 H 0.8532 1.0301 0.6755 0.063 Uiso 1 1 calc R U
C9 C 1.0359(4) 1.0981(4) 0.7471(4) 0.0798(18) Uani 1 1 d . .
H9A H 1.0992 1.1638 0.7771 0.120 Uiso 1 1 calc R U
H9B H 1.0519 1.0647 0.7005 0.120 Uiso 1 1 calc R U
H9C H 1.0314 1.0658 0.7878 0.120 Uiso 1 1 calc R U
C10 C 0.9226(5) 1.1499(4) 0.6428(4) 0.0654(15) Uani 1 1 d . .
H10A H 0.8430 1.1344 0.6070 0.098 Uiso 1 1 calc R U
H10B H 0.9600 1.1288 0.6060 0.098 Uiso 1 1 calc R U
H10C H 0.9690 1.2188 0.6747 0.098 Uiso 1 1 calc R U
C11 C 0.6275(5) 1.0917(4) 0.8648(3) 0.0558(13) Uani 1 1 d . .
H11 H 0.5956 1.0213 0.8371 0.067 Uiso 1 1 calc R U
C12 C 0.6360(6) 1.1147(5) 0.9602(3) 0.0783(18) Uani 1 1 d . .
H12A H 0.6773 1.0847 0.9876 0.117 Uiso 1 1 calc R U
H12B H 0.5567 1.0900 0.9608 0.117 Uiso 1 1 calc R U
H12C H 0.6794 1.1837 0.9920 0.117 Uiso 1 1 calc R U
C13 C 0.5369(6) 1.1189(6) 0.8133(4) 0.094(2) Uani 1 1 d . .
H13A H 0.5675 1.1879 0.8372 0.141 Uiso 1 1 calc R U
H13B H 0.4613 1.0873 0.8185 0.141 Uiso 1 1 calc R U
H13C H 0.5261 1.0981 0.7524 0.141 Uiso 1 1 calc R U
C14 C 0.4495(4) 0.7556(3) 0.6521(3) 0.0358(10) Uani 1 1 d . .
C15 C 0.3422(4) 0.7348(3) 0.6677(3) 0.0449(11) Uani 1 1 d . .
C16 C 0.2637(5) 0.6375(4) 0.6470(4) 0.0652(15) Uani 1 1 d . .
H16 H 0.1930 0.6217 0.6572 0.078 Uiso 1 1 calc R U
C17 C 0.2886(6) 0.5644(4) 0.6120(4) 0.0779(18) Uani 1 1 d . .
H17 H 0.2362 0.5004 0.6003 0.094 Uiso 1 1 calc R U
C18 C 0.3897(5) 0.5856(4) 0.5944(4) 0.0629(15) Uani 1 1 d . .
H18 H 0.4042 0.5353 0.5693 0.076 Uiso 1 1 calc R U
C19 C 0.4725(4) 0.6815(3) 0.6132(3) 0.0463(11) Uani 1 1 d . .
C20 C 0.3134(4) 0.8123(4) 0.7062(4) 0.0571(14) Uani 1 1 d . .
H20 H 0.3797 0.8746 0.7165 0.068 Uiso 1 1 calc R U
C21 C 0.3045(7) 0.8155(6) 0.7960(4) 0.105(2) Uani 1 1 d . .
H21A H 0.2331 0.7596 0.7871 0.157 Uiso 1 1 calc R U
H21B H 0.3012 0.8734 0.8238 0.157 Uiso 1 1 calc R U
H21C H 0.3736 0.8155 0.8328 0.157 Uiso 1 1 calc R U
C22 C 0.1988(5) 0.8026(5) 0.6436(5) 0.091(2) Uani 1 1 d . .
H22A H 0.2078 0.8055 0.5897 0.136 Uiso 1 1 calc R U
H22B H 0.1845 0.8546 0.6703 0.136 Uiso 1 1 calc R U
H22C H 0.1323 0.7415 0.6314 0.136 Uiso 1 1 calc R U
C23 C 0.5808(5) 0.7011(4) 0.5868(4) 0.0612(14) Uani 1 1 d . .
H23 H 0.6353 0.7711 0.6153 0.073 Uiso 1 1 calc R U
C24 C 0.6521(6) 0.6500(5) 0.6174(4) 0.0829(18) Uani 1 1 d . .
H24A H 0.6801 0.6704 0.6802 0.124 Uiso 1 1 calc R U
H24B H 0.7196 0.6665 0.6000 0.124 Uiso 1 1 calc R U
H24C H 0.6012 0.5810 0.5909 0.124 Uiso 1 1 calc R U
C25 C 0.5437(6) 0.6756(5) 0.4887(4) 0.090(2) Uani 1 1 d . .
H25A H 0.4876 0.6077 0.4584 0.135 Uiso 1 1 calc R U
H25B H 0.6132 0.6897 0.4740 0.135 Uiso 1 1 calc R U
H25C H 0.5066 0.7131 0.4715 0.135 Uiso 1 1 calc R U
C26 C 0.8198(4) 0.9531(3) 0.8556(3) 0.0549(13) Uani 1 1 d . .
H26A H 0.8343 0.9834 0.9169 0.066 Uiso 1 1 calc R U
H26B H 0.8535 1.0045 0.8349 0.066 Uiso 1 1 calc R U
C27 C 0.8847(4) 0.8935(3) 0.8495(3) 0.0506(13) Uani 1 1 d . .
C28 C 0.9030(5) 0.8611(4) 0.7749(4) 0.0727(16) Uani 1 1 d . .
H28 H 0.8688 0.8708 0.7251 0.087 Uiso 1 1 calc R U
C29 C 0.9735(6) 0.8132(5) 0.7727(5) 0.091(2) Uani 1 1 d . .
H29 H 0.9891 0.7936 0.7228 0.110 Uiso 1 1 calc R U
C30 C 1.0176(6) 0.7965(5) 0.8444(7) 0.106(3) Uani 1 1 d . .
H30 H 1.0631 0.7641 0.8428 0.127 Uiso 1 1 calc R U
C31 C 0.9984(6) 0.8252(5) 0.9195(6) 0.093(2) Uani 1 1 d . .
H31 H 1.0292 0.8116 0.9676 0.112 Uiso 1 1 calc R U
C32 C 0.9318(5) 0.8752(4) 0.9230(4) 0.0707(16) Uani 1 1 d . .
H32 H 0.9189 0.8962 0.9739 0.085 Uiso 1 1 calc R U
C33 C 0.6274(5) 0.8097(4) 0.8206(4) 0.0722(17) Uani 1 1 d . .
H33A H 0.6495 0.7622 0.7938 0.087 Uiso 1 1 calc R U
H33B H 0.5415 0.7833 0.7904 0.087 Uiso 1 1 calc R U
C34 C 0.6521(4) 0.8202(4) 0.9146(3) 0.0507(12) Uani 1 1 d . .
C35 C 0.6611(7) 0.8946(6) 0.9752(5) 0.104(2) Uani 1 1 d . .
H35 H 0.6515 0.9426 0.9579 0.125 Uiso 1 1 calc R U
C36 C 0.6830(8) 0.9066(7) 1.0596(5) 0.121(3) Uani 1 1 d . .
H36 H 0.6915 0.9619 1.0998 0.145 Uiso 1 1 calc R U
C37 C 0.6925(7) 0.8332(8) 1.0850(5) 0.114(3) Uani 1 1 d . .
H37 H 0.7032 0.8376 1.1425 0.137 Uiso 1 1 calc R U
C38 C 0.6864(7) 0.7531(8) 1.0255(5) 0.116(3) Uani 1 1 d . .
H38 H 0.6944 0.7041 1.0420 0.139 Uiso 1 1 calc R U
C39 C 0.6677(7) 0.7500(6) 0.9408(5) 0.106(2) Uani 1 1 d . .
H39 H 0.6657 0.6985 0.8999 0.127 Uiso 1 1 calc R U
C40 C 0.6621(4) 0.9615(3) 0.4416(3) 0.0362(10) Uani 1 1 d . .
C41 C 0.7464(4) 0.9398(3) 0.4024(3) 0.0452(11) Uani 1 1 d . .
H41A H 0.7077 0.9155 0.3389 0.054 Uiso 1 1 calc R U
H41B H 0.8182 1.0006 0.4203 0.054 Uiso 1 1 calc R U
C42 C 0.7845(4) 0.8687(4) 0.4256(3) 0.0454(11) Uani 1 1 d . .
C43 C 0.7402(4) 0.7747(4) 0.3649(4) 0.0529(13) Uani 1 1 d . .
C44 C 0.7887(5) 0.7149(4) 0.3887(4) 0.0677(16) Uani 1 1 d . .
H44 H 0.7631 0.6535 0.3483 0.081 Uiso 1 1 calc R U
C45 C 0.8735(6) 0.7480(5) 0.4716(5) 0.0801(19) Uani 1 1 d . .
H45 H 0.9032 0.7077 0.4871 0.096 Uiso 1 1 calc R U
C46 C 0.9150(5) 0.8388(5) 0.5318(4) 0.0718(17) Uani 1 1 d . .
H46 H 0.9713 0.8594 0.5879 0.086 Uiso 1 1 calc R U
C47 C 0.8733(5) 0.8997(4) 0.5091(4) 0.0595(14) Uani 1 1 d . .
H47 H 0.9040 0.9623 0.5495 0.071 Uiso 1 1 calc R U
C48 C 0.5351(5) 0.7225(5) 0.2842(4) 0.0832(19) Uani 1 1 d . .
H48A H 0.4987 0.6605 0.2887 0.125 Uiso 1 1 calc R U
H48B H 0.4852 0.7216 0.2313 0.125 Uiso 1 1 calc R U
H48C H 0.5440 0.7719 0.3342 0.125 Uiso 1 1 calc R U
C49 C 0.6418(7) 0.6639(5) 0.2130(4) 0.098(2) Uani 1 1 d . .
H49A H 0.7206 0.6753 0.2158 0.148 Uiso 1 1 calc R U
H49B H 0.5961 0.6597 0.1569 0.148 Uiso 1 1 calc R U
H49C H 0.6023 0.6042 0.2207 0.148 Uiso 1 1 calc R U
C50 C 0.3487(4) 0.8110(3) 0.4133(3) 0.0380(10) Uani 1 1 d . .
C51 C 0.2628(4) 0.7275(3) 0.3276(3) 0.0437(11) Uani 1 1 d . .
H51A H 0.2073 0.7457 0.2962 0.052 Uiso 1 1 calc R U
H51B H 0.3081 0.7169 0.2924 0.052 Uiso 1 1 calc R U
C52 C 0.1915(4) 0.6334(3) 0.3353(3) 0.0503(12) Uani 1 1 d . .
C53 C 0.1886(4) 0.5478(3) 0.2898(4) 0.0590(14) Uani 1 1 d . .
C54 C 0.1333(6) 0.4662(4) 0.3068(5) 0.088(2) Uani 1 1 d . .
H54 H 0.1341 0.4097 0.2778 0.105 Uiso 1 1 calc R U
C55 C 0.0776(7) 0.4656(5) 0.3645(6) 0.109(3) Uani 1 1 d . .
H55 H 0.0424 0.4096 0.3754 0.131 Uiso 1 1 calc R U
C56 C 0.0731(6) 0.5495(5) 0.4077(5) 0.098(2) Uani 1 1 d . .
H56 H 0.0325 0.5498 0.4455 0.118 Uiso 1 1 calc R U
C57 C 0.1323(5) 0.6330(4) 0.3917(3) 0.0667(16) Uani 1 1 d . .
H57 H 0.1315 0.6897 0.4201 0.080 Uiso 1 1 calc R U
C58 C 0.1789(7) 0.5482(5) 0.1485(5) 0.118(3) Uani 1 1 d . .
H58A H 0.1089 0.4864 0.1143 0.177 Uiso 1 1 calc R U
H58B H 0.2295 0.5620 0.1159 0.177 Uiso 1 1 calc R U
H58C H 0.1550 0.5978 0.1611 0.177 Uiso 1 1 calc R U
C59 C 0.2797(9) 0.4718(5) 0.2088(7) 0.144(4) Uani 1 1 d . .
H59A H 0.2100 0.4091 0.1790 0.216 Uiso 1 1 calc R U
H59B H 0.3289 0.4744 0.2629 0.216 Uiso 1 1 calc R U
H59C H 0.3247 0.4829 0.1721 0.216 Uiso 1 1 calc R U
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
O4 Dy1 O2 82.46(10) 2_676 .
O4 Dy1 O1 76.87(10) 2_676 .
O2 Dy1 O1 141.18(10) . .
O4 Dy1 N2 144.93(11) 2_676 .
O2 Dy1 N2 110.89(11) . .
O1 Dy1 N2 104.81(10) . .
O4 Dy1 O3 134.91(10) 2_676 .
O2 Dy1 O3 85.73(11) . .
O1 Dy1 O3 86.11(11) . .
N2 Dy1 O3 79.63(11) . .
O4 Dy1 N1 91.32(10) 2_676 .
O2 Dy1 N1 96.61(11) . .
O1 Dy1 N1 116.17(11) . .
N2 Dy1 N1 55.91(11) . .
O3 Dy1 N1 133.32(10) . .
O4 Dy1 O4 84.93(9) 2_676 .
O2 Dy1 O4 72.03(10) . .
O1 Dy1 O4 73.70(10) . .
N2 Dy1 O4 129.67(10) . .
O3 Dy1 O4 50.09(9) . .
N1 Dy1 O4 168.39(9) . .
O4 Dy1 C1 118.96(11) 2_676 .
O2 Dy1 C1 104.33(11) . .
O1 Dy1 C1 114.40(10) . .
N2 Dy1 C1 27.78(11) . .
O3 Dy1 C1 106.12(11) . .
N1 Dy1 C1 28.18(11) . .
O4 Dy1 C1 155.60(10) . .
O4 Dy1 C50 111.00(11) 2_676 .
O2 Dy1 C50 76.44(11) . .
O1 Dy1 C50 80.81(11) . .
N2 Dy1 C50 103.74(12) . .
O3 Dy1 C50 24.13(10) . .
N1 Dy1 C50 155.13(12) . .
O4 Dy1 C50 26.07(10) . .
C1 Dy1 C50 129.77(12) . .
O4 Dy1 Dy1 47.40(7) 2_676 2_676
O2 Dy1 Dy1 72.05(7) . 2_676
O1 Dy1 Dy1 69.73(7) . 2_676
N2 Dy1 Dy1 166.50(8) . 2_676
O3 Dy1 Dy1 87.57(7) . 2_676
N1 Dy1 Dy1 137.55(7) . 2_676
O4 Dy1 Dy1 37.53(5) . 2_676
C1 Dy1 Dy1 165.71(8) . 2_676
C50 Dy1 Dy1 63.60(9) . 2_676
C40 O1 Dy1 137.7(3) 2_676 .
C40 O2 Dy1 135.1(3) . .
C50 O3 Dy1 105.1(3) . .
C50 O4 Dy1 179.1(3) . 2_676
C50 O4 Dy1 84.1(2) . .
Dy1 O4 Dy1 95.07(9) 2_676 .
C1 N1 C2 127.4(3) . .
C1 N1 Dy1 95.2(2) . .
C2 N1 Dy1 132.8(2) . .
C1 N2 C14 129.6(3) . .
C1 N2 Dy1 97.3(2) . .
C14 N2 Dy1 131.6(2) . .
C1 N3 C33 123.2(4) . .
C1 N3 C26 120.8(4) . .
C33 N3 C26 114.5(4) . .
C58 N4 C53 115.0(6) . .
C58 N4 C59 109.6(6) . .
C53 N4 C59 116.7(5) . .
C43 N5 C49 116.3(5) . .
C43 N5 C48 112.9(4) . .
C49 N5 C48 110.4(5) . .
N2 C1 N1 111.4(3) . .
N2 C1 N3 124.9(4) . .
N1 C1 N3 123.7(4) . .
N2 C1 Dy1 54.9(2) . .
N1 C1 Dy1 56.65(19) . .
N3 C1 Dy1 176.1(3) . .
C3 C2 N1 119.5(4) . .
C3 C2 C7 119.0(4) . .
N1 C2 C7 121.3(4) . .
C4 C3 C2 119.5(5) . .
C4 C3 C8 118.2(4) . .
C2 C3 C8 122.3(4) . .
C5 C4 C3 120.2(5) . .
C6 C5 C4 121.0(5) . .
C5 C6 C7 120.4(5) . .
C6 C7 C2 119.9(5) . .
C6 C7 C11 118.6(5) . .
C2 C7 C11 121.4(4) . .
C3 C8 C9 111.6(4) . .
C3 C8 C10 111.9(4) . .
C9 C8 C10 109.6(4) . .
C7 C11 C12 113.9(5) . .
C7 C11 C13 110.2(4) . .
C12 C11 C13 110.1(5) . .
C19 C14 C15 121.2(4) . .
C19 C14 N2 121.7(4) . .
C15 C14 N2 116.8(4) . .
C16 C15 C14 117.4(5) . .
C16 C15 C20 120.2(4) . .
C14 C15 C20 122.3(4) . .
C17 C16 C15 121.4(5) . .
C18 C17 C16 120.3(5) . .
C17 C18 C19 121.6(5) . .
C14 C19 C18 118.0(4) . .
C14 C19 C23 122.3(4) . .
C18 C19 C23 119.6(4) . .
C15 C20 C22 112.1(5) . .
C15 C20 C21 112.0(5) . .
C22 C20 C21 110.3(5) . .
C25 C23 C19 111.1(5) . .
C25 C23 C24 110.4(5) . .
C19 C23 C24 113.7(4) . .
N3 C26 C27 114.6(4) . .
C28 C27 C32 119.6(5) . .
C28 C27 C26 121.0(5) . .
C32 C27 C26 119.3(5) . .
C27 C28 C29 120.5(6) . .
C30 C29 C28 118.5(7) . .
C29 C30 C31 122.7(7) . .
C30 C31 C32 119.1(7) . .
C31 C32 C27 119.5(6) . .
N3 C33 C34 117.0(5) . .
C35 C34 C39 117.2(6) . .
C35 C34 C33 123.5(5) . .
C39 C34 C33 119.3(6) . .
C34 C35 C36 125.2(8) . .
C35 C36 C37 117.5(9) . .
C36 C37 C38 120.8(7) . .
C39 C38 C37 116.6(8) . .
C34 C39 C38 122.5(8) . .
O2 C40 O1 123.8(4) . 2_676
O2 C40 C41 120.5(4) . .
O1 C40 C41 115.7(4) 2_676 .
C42 C41 C40 117.4(4) . .
C43 C42 C47 118.8(5) . .
C43 C42 C41 122.1(4) . .
C47 C42 C41 119.0(5) . .
C42 C43 N5 119.5(4) . .
C42 C43 C44 118.9(5) . .
N5 C43 C44 121.6(5) . .
C45 C44 C43 119.9(6) . .
C46 C45 C44 121.5(6) . .
C45 C46 C47 119.8(6) . .
C46 C47 C42 121.1(5) . .
O3 C50 O4 120.2(4) . .
O3 C50 C51 121.4(4) . .
O4 C50 C51 118.3(4) . .
O3 C50 Dy1 50.8(2) . .
O4 C50 Dy1 69.8(2) . .
C51 C50 Dy1 169.7(3) . .
C52 C51 C50 115.4(4) . .
C57 C52 C53 119.2(5) . .
C57 C52 C51 119.2(5) . .
C53 C52 C51 121.6(5) . .
C54 C53 C52 119.2(6) . .
C54 C53 N4 121.3(6) . .
C52 C53 N4 119.6(4) . .
C55 C54 C53 122.1(6) . .
C54 C55 C56 119.9(6) . .
C57 C56 C55 117.5(7) . .
C52 C57 C56 121.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O4 2.271(3) 2_676
Dy1 O2 2.288(3) .
Dy1 O1 2.300(3) .
Dy1 N2 2.333(3) .
Dy1 O3 2.334(3) .
Dy1 N1 2.372(3) .
Dy1 O4 2.744(3) .
Dy1 C1 2.828(4) .
Dy1 C50 2.908(4) .
Dy1 Dy1 3.7138(9) 2_676
O1 C40 1.268(5) 2_676
O2 C40 1.257(5) .
O3 C50 1.231(5) .
O4 C50 1.285(5) .
O4 Dy1 2.271(3) 2_676
N1 C1 1.341(5) .
N1 C2 1.416(5) .
N2 C1 1.329(5) .
N2 C14 1.435(5) .
N3 C1 1.384(5) .
N3 C33 1.458(6) .
N3 C26 1.488(6) .
N4 C58 1.406(8) .
N4 C53 1.406(7) .
N4 C59 1.453(8) .
N5 C43 1.405(6) .
N5 C49 1.438(7) .
N5 C48 1.441(7) .
C2 C3 1.402(6) .
C2 C7 1.425(6) .
C3 C4 1.393(6) .
C3 C8 1.517(7) .
C4 C5 1.382(8) .
C5 C6 1.370(8) .
C6 C7 1.374(7) .
C7 C11 1.499(7) .
C8 C9 1.541(7) .
C8 C10 1.546(7) .
C11 C12 1.537(7) .
C11 C13 1.554(7) .
C14 C19 1.395(6) .
C14 C15 1.419(6) .
C15 C16 1.398(6) .
C15 C20 1.488(7) .
C16 C17 1.377(8) .
C17 C18 1.360(7) .
C18 C19 1.402(6) .
C19 C23 1.531(6) .
C20 C22 1.527(8) .
C20 C21 1.547(7) .
C23 C25 1.512(8) .
C23 C24 1.539(7) .
C26 C27 1.506(7) .
C27 C28 1.364(7) .
C27 C32 1.397(7) .
C28 C29 1.410(9) .
C29 C30 1.346(10) .
C30 C31 1.365(10) .
C31 C32 1.394(8) .
C33 C34 1.499(7) .
C34 C35 1.321(8) .
C34 C39 1.375(8) .
C35 C36 1.338(9) .
C36 C37 1.389(11) .
C37 C38 1.393(12) .
C38 C39 1.383(9) .
C40 O1 1.268(5) 2_676
C40 C41 1.525(6) .
C41 C42 1.506(6) .
C42 C43 1.403(7) .
C42 C47 1.411(7) .
C43 C44 1.419(7) .
C44 C45 1.376(8) .
C45 C46 1.367(8) .
C46 C47 1.375(7) .
C50 C51 1.504(6) .
C51 C52 1.502(6) .
C52 C57 1.372(7) .
C52 C53 1.389(7) .
C53 C54 1.376(7) .
C54 C55 1.358(10) .
C55 C56 1.404(10) .
C56 C57 1.401(7) .
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 0.500 0.500 1.000 497 83 ' '
2 0.180 0.977 0.733 16 0 ' '
3 0.820 0.023 0.267 16 0 ' '
