#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:45:32 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179076 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/38/4303807.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_4303807
loop_
_publ_author_name
'T. K. Prasad'
'M. V. Rajasekharan'
_publ_contact_author_address
;School of Chemistry,
University of Hyderabad,
Hyderabad-500046,
India.
;
_publ_contact_author_email       mvrsc@uohyd.ernet.in
_publ_contact_author_fax         +91-40-2301-2460
_publ_contact_author_name        'Rajasekharan, M. V.'
_publ_contact_author_phone       +91-40-2313-4857
_publ_section_title
;
Cerium(IV)-Lanthanide(III)-Pyridine-2,6-dicarboxylic Acid System:
Coordination Salts, Chains, and Rings
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11543
_journal_page_last               11550
_journal_paper_doi               10.1021/ic901066v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C21 H9 Ce N3 O12, C7 H16 Dy N O10, 7(H2 O) '
_chemical_formula_sum            'C28 H39 Ce Dy N4 O29'
_chemical_formula_weight         1198.25
_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                110.024(2)
_cell_angle_beta                 105.531(2)
_cell_angle_gamma                99.615(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0936(15)
_cell_length_b                   12.8744(16)
_cell_length_c                   14.6888(18)
_cell_measurement_reflns_used    5983
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.54
_cell_volume                     1984.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-III (Burnett & Johnson, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_device_type  'CCD area 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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22983
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.17
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    3.112
_exptl_absorpt_correction_T_max  0.537
_exptl_absorpt_correction_T_min  0.427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.006
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Blocks
_exptl_crystal_F_000             1182
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.657
_refine_diff_density_min         -1.612
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         9187
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0438P)²+4.5921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0861
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                8155
_reflns_number_total             9187
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901066v_si_002_08.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303807
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
Ce Ce 0.742040(17) 0.673137(17) 0.877769(16) 0.02077(6) Uani 1 1 d . . .
Dy Dy 0.128894(17) 0.741901(16) 0.482606(14) 0.02623(6) Uani 1 1 d . . .
C11 C 1.0203(3) 0.6586(3) 0.8774(3) 0.0246(8) Uani 1 1 d . . .
C12 C 1.1376(4) 0.6553(4) 0.9102(3) 0.0295(8) Uani 1 1 d . . .
H12 H 1.1850 0.6579 0.8701 0.035 Uiso 1 1 calc R . .
C13 C 1.1828(4) 0.6478(4) 1.0049(4) 0.0329(9) Uani 1 1 d . . .
H13 H 1.2618 0.6472 1.0298 0.040 Uiso 1 1 calc R . .
C14 C 1.1093(4) 0.6414(4) 1.0616(3) 0.0285(8) Uani 1 1 d . . .
H14 H 1.1377 0.6360 1.1248 0.034 Uiso 1 1 calc R . .
C15 C 0.9926(3) 0.6433(3) 1.0222(3) 0.0243(8) Uani 1 1 d . . .
C16 C 0.9026(4) 0.6368(4) 1.0759(3) 0.0279(8) Uani 1 1 d . . .
C17 C 0.9605(4) 0.6733(3) 0.7807(3) 0.0262(8) Uani 1 1 d . . .
C21 C 0.5483(3) 0.4093(3) 0.8055(3) 0.0238(7) Uani 1 1 d . . .
C22 C 0.4514(4) 0.3261(3) 0.7944(3) 0.0293(8) Uani 1 1 d . . .
H22 H 0.4437 0.2481 0.7610 0.035 Uiso 1 1 calc R . .
C23 C 0.3659(4) 0.3615(4) 0.8342(3) 0.0318(9) Uani 1 1 d . . .
H23 H 0.2995 0.3072 0.8274 0.038 Uiso 1 1 calc R . .
C24 C 0.3796(4) 0.4771(4) 0.8837(3) 0.0282(8) Uani 1 1 d . . .
H24 H 0.3224 0.5019 0.9102 0.034 Uiso 1 1 calc R . .
C25 C 0.4800(3) 0.5563(3) 0.8937(3) 0.0227(7) Uani 1 1 d . . .
C26 C 0.5078(3) 0.6850(3) 0.9489(3) 0.0251(8) Uani 1 1 d . . .
C27 C 0.6481(4) 0.3842(3) 0.7663(3) 0.0260(8) Uani 1 1 d . . .
C31 C 0.6385(4) 0.8443(4) 0.7650(4) 0.0396(11) Uani 1 1 d . . .
C32 C 0.6205(7) 0.9402(5) 0.7504(6) 0.081(3) Uani 1 1 d . . .
H32 H 0.5611 0.9341 0.6919 0.097 Uiso 1 1 calc R . .
C33 C 0.6947(8) 1.0485(5) 0.8266(7) 0.116(4) Uani 1 1 d . . .
H33 H 0.6857 1.1158 0.8190 0.139 Uiso 1 1 calc R . .
C34 C 0.7796(7) 1.0539(5) 0.9117(5) 0.080(2) Uani 1 1 d . . .
H34 H 0.8297 1.1249 0.9625 0.096 Uiso 1 1 calc R . .
C35 C 0.7908(4) 0.9539(4) 0.9218(4) 0.0378(10) Uani 1 1 d . . .
C36 C 0.8750(4) 0.9487(4) 1.0145(3) 0.0353(10) Uani 1 1 d . . .
C37 C 0.5677(4) 0.7237(4) 0.6911(4) 0.0360(10) Uani 1 1 d . . .
C41 C 0.2833(4) 0.8109(3) 0.7390(3) 0.0279(8) Uani 1 1 d . . .
C42 C 0.3458(4) 0.8734(4) 0.8430(3) 0.0364(10) Uani 1 1 d . . .
H42 H 0.3803 0.8386 0.8848 0.044 Uiso 1 1 calc R . .
C43 C 0.3554(5) 0.9905(4) 0.8834(4) 0.0457(12) Uani 1 1 d . . .
H43 H 0.3980 1.0362 0.9531 0.055 Uiso 1 1 calc R . .
C44 C 0.3017(5) 1.0384(4) 0.8198(4) 0.0415(11) Uani 1 1 d . . .
H44 H 0.3056 1.1163 0.8463 0.050 Uiso 1 1 calc R . .
C45 C 0.2413(4) 0.9693(4) 0.7149(3) 0.0317(9) Uani 1 1 d . . .
C46 C 0.1804(4) 1.0125(4) 0.6378(4) 0.0363(10) Uani 1 1 d . . .
C47 C 0.2628(4) 0.6846(3) 0.6821(3) 0.0286(8) Uani 1 1 d . . .
N11 N 0.9503(3) 0.6520(3) 0.9331(2) 0.0219(6) Uani 1 1 d . . .
N21 N 0.5623(3) 0.5224(3) 0.8545(2) 0.0208(6) Uani 1 1 d . . .
N31 N 0.7221(3) 0.8511(3) 0.8488(3) 0.0277(7) Uani 1 1 d . . .
N41 N 0.2333(3) 0.8579(3) 0.6760(3) 0.0266(7) Uani 1 1 d . . .
O11 O 0.8562(3) 0.6867(3) 0.7702(2) 0.0292(6) Uani 1 1 d . . .
O12 O 1.0132(3) 0.6712(3) 0.7190(2) 0.0359(7) Uani 1 1 d . . .
O13 O 0.7977(2) 0.6297(3) 1.0234(2) 0.0292(6) Uani 1 1 d . . .
O14 O 0.9347(3) 0.6377(4) 1.1631(2) 0.0494(9) Uani 1 1 d . . .
O21 O 0.7269(2) 0.4736(2) 0.7810(2) 0.0281(6) Uani 1 1 d . . .
O22 O 0.6497(3) 0.2838(3) 0.7266(3) 0.0368(7) Uani 1 1 d . . .
O23 O 0.6062(3) 0.7415(2) 0.9483(2) 0.0310(6) Uani 1 1 d . . .
O24 O 0.4411(3) 0.7274(3) 0.9887(2) 0.0352(7) Uani 1 1 d . . .
O31 O 0.5974(3) 0.6443(2) 0.7171(2) 0.0308(6) Uani 1 1 d . . .
O32 O 0.4866(4) 0.7056(3) 0.6112(3) 0.0658(13) Uani 1 1 d . . .
O33 O 0.8701(3) 0.8462(3) 1.0085(2) 0.0334(7) Uani 1 1 d . . .
O34 O 0.9408(3) 1.0379(3) 1.0890(3) 0.0519(9) Uani 1 1 d . . .
O41 O 0.2042(3) 0.6372(2) 0.5891(2) 0.0323(6) Uani 1 1 d . . .
O42 O 0.3091(3) 0.6319(3) 0.7369(2) 0.0412(8) Uani 1 1 d . . .
H42A H 0.2808 0.5703 0.6978 0.062 Uiso 1 1 d R . .
O43 O 0.1409(3) 0.9414(3) 0.5439(2) 0.0351(7) Uani 1 1 d . . .
O44 O 0.1731(4) 1.1110(3) 0.6702(3) 0.0617(12) Uani 1 1 d . . .
O51 O 0.3424(3) 0.8209(3) 0.5230(3) 0.0410(7) Uani 1 1 d . . .
H51A H 0.4009 0.8858 0.5503 0.061 Uiso 1 1 d R . .
H51B H 0.3799 0.7903 0.5532 0.061 Uiso 1 1 d R . .
O52 O -0.0199(3) 0.7472(3) 0.5645(2) 0.0393(7) Uani 1 1 d . . .
H52A H -0.0139 0.7234 0.6090 0.059 Uiso 1 1 d R . .
H52B H -0.0509 0.7956 0.5762 0.059 Uiso 1 1 d R . .
O53 O -0.0149(3) 0.5505(3) 0.4124(3) 0.0492(9) Uani 1 1 d . . .
H53A H -0.0386 0.5199 0.3453 0.074 Uiso 1 1 d R . .
H53B H -0.0798 0.5506 0.4104 0.074 Uiso 1 1 d R . .
O54 O 0.1658(3) 0.7798(4) 0.3404(3) 0.0556(10) Uani 1 1 d . . .
H54A H 0.1192 0.8138 0.3119 0.083 Uiso 1 1 d R . .
H54B H 0.2400 0.8205 0.3797 0.083 Uiso 1 1 d R . .
O55 O 0.1982(4) 0.5868(3) 0.3882(3) 0.0519(9) Uani 1 1 d . . .
H55A H 0.2689 0.5795 0.4296 0.078 Uiso 1 1 d R . .
H55B H 0.2211 0.6084 0.3497 0.078 Uiso 1 1 d R . .
O56 O -0.0585(3) 0.7398(3) 0.3635(2) 0.0394(7) Uani 1 1 d . . .
H56A H -0.0878 0.7901 0.3715 0.059 Uiso 1 1 d R . .
H56B H -0.0791 0.7028 0.3051 0.059 Uiso 1 1 d R . .
O1W O 0.2652(4) 0.4218(3) 0.6224(4) 0.0740(14) Uani 1 1 d . . .
H1A H 0.2299 0.4004 0.5497 0.111 Uiso 1 1 d R . .
H1B H 0.3401 0.4207 0.6198 0.111 Uiso 1 1 d R . .
O2W O 0.8652(5) 0.9164(4) 0.5724(4) 0.0775(14) Uani 1 1 d . . .
H2A H 0.8099 0.8756 0.5324 0.116 Uiso 1 1 d R . .
H2B H 0.8892 0.9619 0.5504 0.116 Uiso 1 1 d R . .
O3W O 0.4532(6) 0.0547(5) 0.5973(6) 0.115(2) Uani 1 1 d . . .
H3A H 0.4306 0.0986 0.5691 0.173 Uiso 1 1 d R . .
H3B H 0.5304 0.1090 0.6392 0.173 Uiso 1 1 d R . .
O4W O 0.0246(6) 0.9178(7) 0.2311(4) 0.122(2) Uani 1 1 d . . .
H4A H 0.0227 0.9683 0.2098 0.183 Uiso 1 1 d R . .
H4B H 0.0034 0.8683 0.1698 0.183 Uiso 1 1 d R . .
O5W O 0.6946(10) 0.5527(10) 0.5455(5) 0.226(6) Uani 1 1 d . . .
H5A H 0.6191 0.4992 0.4897 0.338 Uiso 1 1 d R . .
H5B H 0.7016 0.5914 0.6007 0.338 Uiso 1 1 d R . .
O7W O 0.5091(8) 0.5824(7) 0.4330(6) 0.162(3) Uani 1 1 d . . .
H7A H 0.4703 0.5289 0.3794 0.242 Uiso 1 1 d R . .
H7B H 0.4792 0.6282 0.4590 0.242 Uiso 1 1 d R . .
O8W O 0.3690(8) 0.1942(10) 0.5175(8) 0.201(5) Uani 1 1 d . . .
H8A H 0.3787 0.1997 0.4543 0.302 Uiso 1 1 d R . .
H8B H 0.3774 0.2522 0.5714 0.302 Uiso 1 1 d R . .
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'
Ce Ce -0.2486 2.6331 '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
_geom_angle_publ_flag
O23 Ce O33 80.99(11) . . y
O23 Ce O13 82.83(10) . . y
O33 Ce O13 76.15(11) . . y
O23 Ce O11 146.04(10) . . y
O33 Ce O11 90.33(11) . . y
O13 Ce O11 127.00(10) . . y
O23 Ce O31 84.33(11) . . y
O33 Ce O31 127.75(10) . . y
O13 Ce O31 150.40(10) . . y
O11 Ce O31 75.23(10) . . y
O23 Ce O21 126.83(9) . . y
O33 Ce O21 144.14(10) . . y
O13 Ce O21 84.80(10) . . y
O11 Ce O21 77.17(10) . . y
O31 Ce O21 81.78(10) . . y
O23 Ce N31 71.54(11) . . y
O33 Ce N31 64.20(11) . . y
O13 Ce N31 135.19(11) . . y
O11 Ce N31 75.12(11) . . y
O31 Ce N31 63.56(10) . . y
O21 Ce N31 139.93(10) . . y
O23 Ce N21 64.06(10) . . y
O33 Ce N21 136.51(10) . . y
O13 Ce N21 74.62(10) . . y
O11 Ce N21 133.09(10) . . y
O31 Ce N21 75.78(10) . . y
O21 Ce N21 62.79(9) . . y
N31 Ce N21 121.57(10) . . y
O23 Ce N11 140.20(11) . . y
O33 Ce N11 70.88(10) . . y
O13 Ce N11 63.78(10) . . y
O11 Ce N11 63.36(10) . . y
O31 Ce N11 135.23(10) . . y
O21 Ce N11 73.49(10) . . y
N31 Ce N11 117.18(11) . . y
N21 Ce N11 121.24(10) . . y
O43 Dy O52 79.22(11) . . y
O43 Dy O55 147.69(12) . . y
O52 Dy O55 133.06(12) . . y
O43 Dy O54 81.09(13) . . y
O52 Dy O54 139.11(11) . . y
O55 Dy O54 72.13(13) . . y
O43 Dy O51 80.97(11) . . y
O52 Dy O51 140.83(11) . . y
O55 Dy O51 72.88(12) . . y
O54 Dy O51 69.02(12) . . y
O43 Dy O56 78.54(11) . . y
O52 Dy O56 71.02(11) . . y
O55 Dy O56 107.87(13) . . y
O54 Dy O56 70.13(11) . . y
O51 Dy O56 136.47(11) . . y
O43 Dy O53 141.68(12) . . y
O52 Dy O53 69.25(12) . . y
O55 Dy O53 66.59(12) . . y
O54 Dy O53 108.92(14) . . y
O51 Dy O53 137.35(12) . . y
O56 Dy O53 71.14(12) . . y
O43 Dy O41 126.54(10) . . y
O52 Dy O41 83.17(11) . . y
O55 Dy O41 68.69(11) . . y
O54 Dy O41 136.55(11) . . y
O51 Dy O41 82.03(11) . . y
O56 Dy O41 140.20(11) . . y
O53 Dy O41 71.59(12) . . y
O43 Dy N41 64.21(10) . . y
O52 Dy N41 71.33(11) . . y
O55 Dy N41 120.93(13) . . y
O54 Dy N41 129.09(13) . . y
O51 Dy N41 69.65(11) . . y
O56 Dy N41 130.77(11) . . y
O53 Dy N41 121.53(12) . . y
O41 Dy N41 62.35(10) . . y
N11 C11 C12 121.4(4) . . ?
N11 C11 C17 113.7(3) . . ?
C12 C11 C17 124.8(4) . . ?
C11 C12 C13 118.2(4) . . ?
C14 C13 C12 119.5(4) . . ?
C13 C14 C15 118.4(4) . . ?
N11 C15 C14 122.1(4) . . ?
N11 C15 C16 114.0(3) . . ?
C14 C15 C16 123.9(4) . . ?
O14 C16 O13 126.0(4) . . ?
O14 C16 C15 119.6(4) . . ?
O13 C16 C15 114.4(3) . . ?
O12 C17 O11 125.7(4) . . ?
O12 C17 C11 119.4(4) . . ?
O11 C17 C11 114.9(3) . . ?
N21 C21 C22 122.0(4) . . ?
N21 C21 C27 113.5(3) . . ?
C22 C21 C27 124.6(4) . . ?
C21 C22 C23 118.5(4) . . ?
C24 C23 C22 119.7(4) . . ?
C23 C24 C25 119.0(4) . . ?
N21 C25 C24 121.5(3) . . ?
N21 C25 C26 114.1(3) . . ?
C24 C25 C26 124.5(3) . . ?
O24 C26 O23 125.6(4) . . ?
O24 C26 C25 120.9(4) . . ?
O23 C26 C25 113.5(3) . . ?
O22 C27 O21 125.9(4) . . ?
O22 C27 C21 119.4(4) . . ?
O21 C27 C21 114.6(3) . . ?
N31 C31 C32 122.1(5) . . ?
N31 C31 C37 113.7(4) . . ?
C32 C31 C37 124.2(5) . . ?
C31 C32 C33 117.9(5) . . ?
C34 C33 C32 119.3(5) . . ?
C33 C34 C35 119.5(5) . . ?
N31 C35 C34 121.4(5) . . ?
N31 C35 C36 114.1(4) . . ?
C34 C35 C36 124.5(4) . . ?
O34 C36 O33 125.0(5) . . ?
O34 C36 C35 120.6(4) . . ?
O33 C36 C35 114.4(4) . . ?
O32 C37 O31 124.1(4) . . ?
O32 C37 C31 120.2(4) . . ?
O31 C37 C31 115.7(4) . . ?
N41 C41 C42 123.1(4) . . ?
N41 C41 C47 111.7(3) . . ?
C42 C41 C47 125.2(4) . . ?
C41 C42 C43 117.4(4) . . ?
C44 C43 C42 119.7(4) . . ?
C43 C44 C45 119.3(4) . . ?
N41 C45 C44 121.2(4) . . ?
N41 C45 C46 114.8(4) . . ?
C44 C45 C46 124.0(4) . . ?
O44 C46 O43 126.1(4) . . ?
O44 C46 C45 118.1(4) . . ?
O43 C46 C45 115.8(4) . . ?
O41 C47 O42 124.3(4) . . ?
O41 C47 C41 119.7(4) . . ?
O42 C47 C41 116.0(4) . . ?
C15 N11 C11 120.3(3) . . ?
C15 N11 Ce 118.9(2) . . ?
C11 N11 Ce 120.5(2) . . ?
C25 N21 C21 119.4(3) . . ?
C25 N21 Ce 119.0(2) . . ?
C21 N21 Ce 121.6(2) . . ?
C35 N31 C31 119.9(4) . . ?
C35 N31 Ce 119.1(3) . . ?
C31 N31 Ce 120.8(3) . . ?
C45 N41 C41 119.3(3) . . ?
C45 N41 Dy 118.6(3) . . ?
C41 N41 Dy 122.2(3) . . ?
C17 O11 Ce 127.2(2) . . ?
C16 O13 Ce 126.7(2) . . ?
C27 O21 Ce 127.3(2) . . ?
C26 O23 Ce 129.4(2) . . ?
C37 O31 Ce 125.9(3) . . ?
C36 O33 Ce 128.1(3) . . ?
C47 O41 Dy 123.9(3) . . ?
C46 O43 Dy 126.0(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ce O23 2.306(3) . y
Ce O33 2.318(3) . y
Ce O13 2.348(3) . y
Ce O11 2.390(3) . y
Ce O31 2.395(3) . y
Ce O21 2.420(3) . y
Ce N31 2.507(3) . y
Ce N21 2.519(3) . y
Ce N11 2.523(3) . y
Dy O43 2.376(3) . y
Dy O52 2.416(3) . y
Dy O55 2.429(3) . y
Dy O54 2.434(3) . y
Dy O51 2.438(3) . y
Dy O56 2.454(3) . y
Dy O53 2.455(3) . y
Dy O41 2.487(3) . y
Dy N41 2.537(3) . y
C11 N11 1.336(5) . ?
C11 C12 1.384(5) . ?
C11 C17 1.503(6) . ?
C12 C13 1.395(6) . ?
C13 C14 1.382(6) . ?
C14 C15 1.382(5) . ?
C15 N11 1.322(5) . ?
C15 C16 1.513(5) . ?
C16 O14 1.231(5) . ?
C16 O13 1.266(5) . ?
C17 O12 1.236(5) . ?
C17 O11 1.277(5) . ?
C21 N21 1.342(5) . ?
C21 C22 1.381(5) . ?
C21 C27 1.506(5) . ?
C22 C23 1.384(6) . ?
C23 C24 1.372(6) . ?
C24 C25 1.387(5) . ?
C25 N21 1.339(5) . ?
C25 C26 1.505(5) . ?
C26 O24 1.214(5) . ?
C26 O23 1.290(5) . ?
C27 O22 1.229(5) . ?
C27 O21 1.277(5) . ?
C31 N31 1.333(6) . ?
C31 C32 1.366(7) . ?
C31 C37 1.492(6) . ?
C32 C33 1.406(8) . ?
C33 C34 1.361(9) . ?
C34 C35 1.370(7) . ?
C35 N31 1.332(5) . ?
C35 C36 1.496(7) . ?
C36 O34 1.232(5) . ?
C36 O33 1.282(5) . ?
C37 O32 1.230(5) . ?
C37 O31 1.280(5) . ?
C41 N41 1.340(5) . ?
C41 C42 1.375(6) . ?
C41 C47 1.492(6) . ?
C42 C43 1.390(6) . ?
C43 C44 1.370(7) . ?
C44 C45 1.392(6) . ?
C45 N41 1.326(5) . ?
C45 C46 1.502(6) . ?
C46 O44 1.221(5) . ?
C46 O43 1.267(5) . ?
C47 O41 1.228(5) . ?
C47 O42 1.296(5) . ?
