#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:25:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179630 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/94/4509481.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509481
loop_
_publ_author_name
'Fang, Ming'
'Chang, Lixian'
'Liu, Xuhui'
'Zhao, Bin'
'Zuo, Ya'
'Chen, Zhi'
_publ_section_title
;
 Fabrication and Properties of Eight Novel Lanthanide−Organic
 Frameworks Based on 4-Hydroxypyran-2,6-dicarboxylate and
 4-Hydroxypyridine-2,6-dicarboxylate
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4006
_journal_paper_doi               10.1021/cg900146y
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C21 H42.75 Ba2 Dy N3 O32.375'
_chemical_formula_weight         1292.78
_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                102.815(3)
_cell_angle_beta                 105.458(3)
_cell_angle_gamma                90.378(3)
_cell_formula_units_Z            2
_cell_length_a                   11.484(2)
_cell_length_b                   12.500(2)
_cell_length_c                   15.790(3)
_cell_measurement_reflns_used    3102
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      2.40
_cell_volume                     2125.0(6)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10955
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    3.679
_exptl_absorpt_correction_T_max  0.7573
_exptl_absorpt_correction_T_min  0.6666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    2.027
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.655
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     579
_refine_ls_number_reflns         7461
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0342P)²+15.4166P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1190
_reflns_number_gt                5403
_reflns_number_total             7461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900146ysup4.cif
_cod_data_source_block           061117c
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509481
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
Dy1 Dy 0.74408(4) 0.74566(3) 0.74483(3) 0.01870(12) Uani 1 1 d .
Ba1 Ba 0.54741(5) 0.89687(5) 1.08811(4) 0.02590(16) Uani 1 1 d .
Ba2 Ba 1.01002(5) 0.35684(5) 0.55722(4) 0.03234(17) Uani 1 1 d .
C1 C 0.5036(8) 0.6517(7) 0.5672(6) 0.024(2) Uani 1 1 d .
C2 C 0.4290(9) 0.6275(8) 0.4788(6) 0.033(2) Uani 1 1 d .
H2 H 0.3507 0.5963 0.4658 0.040 Uiso 1 1 calc R
C3 C 0.4721(10) 0.6502(9) 0.4112(7) 0.037(3) Uani 1 1 d .
C4 C 0.5900(8) 0.6966(8) 0.4325(6) 0.029(2) Uani 1 1 d .
H4 H 0.6234 0.7096 0.3878 0.035 Uiso 1 1 calc R
C5 C 0.6552(8) 0.7227(7) 0.5224(6) 0.027(2) Uani 1 1 d .
C6 C 0.7832(8) 0.7730(7) 0.5526(7) 0.026(2) Uani 1 1 d .
C7 C 0.4664(9) 0.6294(8) 0.6460(7) 0.029(2) Uani 1 1 d .
C8 C 0.7737(8) 1.0177(7) 0.8210(6) 0.023(2) Uani 1 1 d .
C9 C 0.8180(8) 1.1238(7) 0.8660(6) 0.026(2) Uani 1 1 d .
H9 H 0.7675 1.1816 0.8674 0.031 Uiso 1 1 calc R
C10 C 0.9435(9) 1.1408(7) 0.9098(6) 0.027(2) Uani 1 1 d .
C11 C 1.0125(8) 1.0507(7) 0.9055(6) 0.030(2) Uani 1 1 d .
H11 H 1.0952 1.0592 0.9338 0.036 Uiso 1 1 calc R
C12 C 0.9583(8) 0.9486(7) 0.8595(6) 0.021(2) Uani 1 1 d .
C13 C 1.0253(9) 0.8434(8) 0.8523(6) 0.028(2) Uani 1 1 d .
C14 C 0.6401(8) 0.9909(8) 0.7741(6) 0.024(2) Uani 1 1 d .
C15 C 0.7582(8) 0.6238(7) 0.9144(6) 0.021(2) Uani 1 1 d .
C16 C 0.7743(8) 0.5490(7) 0.9656(6) 0.025(2) Uani 1 1 d .
H16 H 0.7563 0.5642 1.0209 0.030 Uiso 1 1 calc R
C17 C 0.8192(9) 0.4468(7) 0.9338(6) 0.026(2) Uani 1 1 d .
C18 C 0.8433(8) 0.4305(7) 0.8499(6) 0.023(2) Uani 1 1 d .
H18 H 0.8741 0.3653 0.8264 0.027 Uiso 1 1 calc R
C19 C 0.8216(7) 0.5107(7) 0.8027(5) 0.020(2) Uani 1 1 d .
C20 C 0.8424(8) 0.4971(7) 0.7117(6) 0.022(2) Uani 1 1 d .
C21 C 0.7164(8) 0.7360(7) 0.9445(6) 0.023(2) Uani 1 1 d .
N1 N 0.6144(6) 0.6993(6) 0.5881(5) 0.0208(16) Uani 1 1 d .
N2 N 0.8402(6) 0.9314(6) 0.8171(5) 0.0209(17) Uani 1 1 d .
N3 N 0.7809(6) 0.6088(6) 0.8330(4) 0.0194(16) Uani 1 1 d .
O1 O 0.5441(5) 0.6597(5) 0.7219(4) 0.0254(14) Uani 1 1 d .
O2 O 0.3658(6) 0.5822(6) 0.6332(4) 0.0404(18) Uani 1 1 d .
O3 O 0.8311(6) 0.7991(5) 0.6368(4) 0.0299(15) Uani 1 1 d .
O4 O 0.8333(6) 0.7877(5) 0.4954(4) 0.0338(16) Uani 1 1 d .
O5 O 0.6101(5) 0.8922(5) 0.7304(4) 0.0275(15) Uani 1 1 d .
O6 O 0.5690(6) 1.0638(5) 0.7839(4) 0.0318(16) Uani 1 1 d .
O7 O 0.9627(5) 0.7563(5) 0.8099(4) 0.0253(15) Uani 1 1 d .
O8 O 1.1368(6) 0.8521(5) 0.8876(5) 0.0379(18) Uani 1 1 d .
O9 O 0.7064(6) 0.7989(5) 0.8912(4) 0.0232(14) Uani 1 1 d .
O10 O 0.6932(6) 0.7600(5) 1.0185(4) 0.0350(17) Uani 1 1 d .
O11 O 0.8102(6) 0.5758(5) 0.6732(4) 0.0246(14) Uani 1 1 d .
O12 O 0.8869(7) 0.4147(5) 0.6790(4) 0.0378(18) Uani 1 1 d .
O13 O 0.3996(7) 0.6225(8) 0.3263(5) 0.057(2) Uani 1 1 d .
O14 O 0.9958(6) 1.2395(5) 0.9560(5) 0.0400(19) Uani 1 1 d .
H14 H 0.9592 1.2664 0.9929 0.060 Uiso 1 1 calc R
O15 O 0.8350(7) 0.3716(5) 0.9825(5) 0.0369(17) Uani 1 1 d .
H15 H 0.8883 0.3324 0.9708 0.055 Uiso 1 1 calc R
O16 O 1.2091(8) 0.4464(7) 0.6995(6) 0.066(3) Uani 1 1 d .
O17 O 1.0082(11) 0.1890(8) 0.6513(7) 0.058(3) Uani 0.75 1 d P
O18 O 0.8208(15) 0.2014(13) 0.4868(11) 0.092(4) Uani 0.70 1 d PU
O19 O 0.9553(9) 0.3533(8) 0.3707(6) 0.074(3) Uani 1 1 d U
O20 O 0.8383(6) 0.5114(5) 0.5015(4) 0.0322(16) Uani 1 1 d .
O21 O 0.4693(6) 0.8701(5) 0.8877(4) 0.0331(16) Uani 1 1 d .
O22 O 0.6745(5) 1.0104(5) 0.9936(4) 0.0288(15) Uani 1 1 d .
O23 O 0.7546(8) 1.0130(8) 1.2095(6) 0.073(3) Uani 1 1 d .
O24 O 0.6717(8) 0.7774(7) 1.2127(6) 0.064(2) Uani 1 1 d .
O25 O 0.3983(7) 0.7014(6) 1.0159(5) 0.052(2) Uani 1 1 d .
O26 O 0.2640(7) 0.7297(6) 0.7747(6) 0.055(2) Uani 1 1 d .
O27 O 0.4471(8) 0.5934(7) 0.8502(6) 0.062(2) Uani 1 1 d .
O28 O 0.1124(9) 0.3074(8) 0.8225(7) 0.083(3) Uani 1 1 d U
O29 O 0.7313(12) 0.9211(11) 0.3754(9) 0.034(3) Uani 0.50 1 d PU
O30 O 0.4953(9) 0.6264(8) 0.1890(6) 0.071(3) Uani 1 1 d .
O31 O 0.8837(7) 0.4274(7) 0.1637(5) 0.061(2) Uani 1 1 d .
O32 O 0.9715(12) 0.0400(10) 0.3562(9) 0.076(4) Uani 0.75 1 d PU
O33 O 0.7481(17) 0.1734(15) 0.6381(13) 0.073(5) Uani 0.50 1 d P
O34 O 0.6404(13) 0.1323(13) 0.3393(11) 0.056(5) Uani 0.50 1 d P
O35 O 0.595(2) 0.088(2) 0.411(2) 0.043(8) Uani 0.25 1 d P
O36 O 0.603(4) -0.012(4) 0.556(3) 0.023(10) Uani 0.13 1 d PU
O18' O 0.810(3) 0.218(3) 0.432(3) 0.092(4) Uani 0.30 1 d PU
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'
Ba Ba -0.3244 2.2819 '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
O3 Dy1 O11 77.1(2) . .
O3 Dy1 N3 135.5(2) . .
O11 Dy1 N3 64.8(2) . .
O3 Dy1 O5 88.4(2) . .
O11 Dy1 O5 147.7(2) . .
N3 Dy1 O5 136.1(2) . .
O3 Dy1 O9 146.6(2) . .
O11 Dy1 O9 129.7(2) . .
N3 Dy1 O9 64.9(2) . .
O5 Dy1 O9 76.2(2) . .
O3 Dy1 O1 129.1(2) . .
O11 Dy1 O1 91.4(2) . .
N3 Dy1 O1 75.9(2) . .
O5 Dy1 O1 75.5(2) . .
O9 Dy1 O1 76.0(2) . .
O3 Dy1 O7 74.1(2) . .
O11 Dy1 O7 74.5(2) . .
N3 Dy1 O7 74.2(2) . .
O5 Dy1 O7 129.3(2) . .
O9 Dy1 O7 92.7(2) . .
O1 Dy1 O7 150.1(2) . .
O3 Dy1 N2 74.3(2) . .
O11 Dy1 N2 134.8(2) . .
N3 Dy1 N2 117.5(2) . .
O5 Dy1 N2 65.1(2) . .
O9 Dy1 N2 72.3(2) . .
O1 Dy1 N2 133.9(2) . .
O7 Dy1 N2 64.4(2) . .
O3 Dy1 N1 65.1(2) . .
O11 Dy1 N1 74.1(2) . .
N3 Dy1 N1 120.7(2) . .
O5 Dy1 N1 73.6(2) . .
O9 Dy1 N1 134.4(2) . .
O1 Dy1 N1 64.0(2) . .
O7 Dy1 N1 132.8(2) . .
N2 Dy1 N1 121.8(2) . .
O6 Ba1 O10 143.6(2) 2_677 .
O6 Ba1 O23 90.4(3) 2_677 .
O10 Ba1 O23 87.5(3) . .
O6 Ba1 O25 86.2(2) 2_677 .
O10 Ba1 O25 78.0(2) . .
O23 Ba1 O25 149.9(3) . .
O6 Ba1 O24 77.0(2) 2_677 .
O10 Ba1 O24 68.7(2) . .
O23 Ba1 O24 67.3(3) . .
O25 Ba1 O24 82.8(3) . .
O6 Ba1 O21 79.60(19) 2_677 2_677
O10 Ba1 O21 132.1(2) . 2_677
O23 Ba1 O21 68.3(2) . 2_677
O25 Ba1 O21 139.7(2) . 2_677
O24 Ba1 O21 129.0(2) . 2_677
O6 Ba1 O22 141.29(19) 2_677 .
O10 Ba1 O22 70.95(19) . .
O23 Ba1 O22 70.4(2) . .
O25 Ba1 O22 127.1(2) . .
O24 Ba1 O22 121.4(2) . .
O21 Ba1 O22 62.27(18) 2_677 .
O6 Ba1 O22 75.65(19) 2_677 2_677
O10 Ba1 O22 132.57(19) . 2_677
O23 Ba1 O22 126.5(2) . 2_677
O25 Ba1 O22 81.5(2) . 2_677
O24 Ba1 O22 149.2(2) . 2_677
O21 Ba1 O22 58.53(18) 2_677 2_677
O22 Ba1 O22 89.05(18) . 2_677
O6 Ba1 O21 133.66(18) 2_677 .
O10 Ba1 O21 72.42(18) . .
O23 Ba1 O21 127.3(2) . .
O25 Ba1 O21 73.2(2) . .
O24 Ba1 O21 137.6(2) . .
O21 Ba1 O21 89.94(17) 2_677 .
O22 Ba1 O21 57.19(17) . .
O22 Ba1 O21 60.79(17) 2_677 .
O6 Ba1 Ba1 111.92(14) 2_677 2_677
O10 Ba1 Ba1 104.23(14) . 2_677
O23 Ba1 Ba1 100.4(2) . 2_677
O25 Ba1 Ba1 108.58(17) . 2_677
O24 Ba1 Ba1 165.51(18) . 2_677
O21 Ba1 Ba1 46.17(13) 2_677 2_677
O22 Ba1 Ba1 44.54(12) . 2_677
O22 Ba1 Ba1 44.51(13) 2_677 2_677
O21 Ba1 Ba1 43.76(12) . 2_677
O12 Ba2 O4 143.6(2) . 2_766
O12 Ba2 O18 80.3(4) . .
O4 Ba2 O18 91.8(4) 2_766 .
O12 Ba2 O16 84.3(3) . .
O4 Ba2 O16 84.1(2) 2_766 .
O18 Ba2 O16 147.8(4) . .
O12 Ba2 O17 70.0(3) . .
O4 Ba2 O17 74.6(3) 2_766 .
O18 Ba2 O17 63.7(4) . .
O16 Ba2 O17 84.5(3) . .
O12 Ba2 O19 132.6(2) . .
O4 Ba2 O19 78.9(2) 2_766 .
O18 Ba2 O19 78.4(4) . .
O16 Ba2 O19 131.4(3) . .
O17 Ba2 O19 132.4(3) . .
O12 Ba2 O20 129.8(2) . 2_766
O4 Ba2 O20 77.36(19) 2_766 2_766
O18 Ba2 O20 139.7(4) . 2_766
O16 Ba2 O20 70.4(2) . 2_766
O17 Ba2 O20 144.0(3) . 2_766
O19 Ba2 O20 61.5(2) . 2_766
O12 Ba2 O18' 92.4(8) . .
O4 Ba2 O18' 90.4(8) 2_766 .
O18 Ba2 O18' 18.6(8) . .
O16 Ba2 O18' 165.4(8) . .
O17 Ba2 O18' 81.0(9) . .
O19 Ba2 O18' 60.1(9) . .
O20 Ba2 O18' 121.5(8) 2_766 .
O12 Ba2 O20 70.78(19) . .
O4 Ba2 O20 144.62(19) 2_766 .
O18 Ba2 O20 86.2(4) . .
O16 Ba2 O20 115.0(2) . .
O17 Ba2 O20 133.6(3) . .
O19 Ba2 O20 66.0(2) . .
O20 Ba2 O20 81.5(2) 2_766 .
O18' Ba2 O20 76.9(8) . .
O12 Ba2 Ba2 101.65(15) . 2_766
O4 Ba2 Ba2 113.41(14) 2_766 2_766
O18 Ba2 Ba2 117.2(4) . 2_766
O16 Ba2 Ba2 93.47(19) . 2_766
O17 Ba2 Ba2 171.5(2) . 2_766
O19 Ba2 Ba2 54.33(19) . 2_766
O20 Ba2 Ba2 41.03(13) 2_766 2_766
O18' Ba2 Ba2 101.1(8) . 2_766
O20 Ba2 Ba2 40.52(13) . 2_766
N1 C1 C2 121.6(9) . .
N1 C1 C7 114.5(8) . .
C2 C1 C7 123.9(8) . .
C3 C2 C1 119.5(9) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
O13 C3 C2 118.1(9) . .
O13 C3 C4 122.8(9) . .
C2 C3 C4 119.1(9) . .
C5 C4 C3 117.5(9) . .
C5 C4 H4 121.3 . .
C3 C4 H4 121.3 . .
N1 C5 C4 123.5(9) . .
N1 C5 C6 114.6(8) . .
C4 C5 C6 121.8(9) . .
O4 C6 O3 124.6(9) . .
O4 C6 C5 119.4(9) . .
O3 C6 C5 116.0(8) . .
O2 C7 O1 125.0(9) . .
O2 C7 C1 119.4(9) . .
O1 C7 C1 115.5(8) . .
N2 C8 C9 124.5(8) . .
N2 C8 C14 114.5(7) . .
C9 C8 C14 121.0(8) . .
C8 C9 C10 117.1(8) . .
C8 C9 H9 121.4 . .
C10 C9 H9 121.4 . .
O14 C10 C11 119.6(9) . .
O14 C10 C9 122.3(9) . .
C11 C10 C9 118.1(8) . .
C12 C11 C10 119.6(9) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
N2 C12 C11 122.9(8) . .
N2 C12 C13 113.1(7) . .
C11 C12 C13 124.0(8) . .
O8 C13 O7 126.1(9) . .
O8 C13 C12 117.5(8) . .
O7 C13 C12 116.4(8) . .
O6 C14 O5 125.3(9) . .
O6 C14 C8 118.8(8) . .
O5 C14 C8 115.8(8) . .
C16 C15 N3 124.8(8) . .
C16 C15 C21 122.7(8) . .
N3 C15 C21 112.5(8) . .
C15 C16 C17 119.0(8) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
O15 C17 C18 123.0(8) . .
O15 C17 C16 120.1(8) . .
C18 C17 C16 116.8(8) . .
C19 C18 C17 119.6(8) . .
C19 C18 H18 120.2 . .
C17 C18 H18 120.2 . .
N3 C19 C18 124.0(8) . .
N3 C19 C20 113.8(8) . .
C18 C19 C20 122.2(8) . .
O12 C20 O11 124.6(8) . .
O12 C20 C19 120.3(8) . .
O11 C20 C19 115.0(8) . .
O10 C21 O9 124.6(8) . .
O10 C21 C15 118.8(8) . .
O9 C21 C15 116.6(8) . .
C1 N1 C5 118.7(8) . .
C1 N1 Dy1 121.5(6) . .
C5 N1 Dy1 119.8(6) . .
C8 N2 C12 117.6(7) . .
C8 N2 Dy1 120.4(6) . .
C12 N2 Dy1 121.9(6) . .
C19 N3 C15 115.8(7) . .
C19 N3 Dy1 121.9(5) . .
C15 N3 Dy1 122.3(5) . .
C7 O1 Dy1 124.5(6) . .
C6 O3 Dy1 123.7(6) . .
C6 O4 Ba2 120.2(6) . 2_766
C14 O5 Dy1 123.1(6) . .
C14 O6 Ba1 125.8(6) . 2_677
C13 O7 Dy1 124.1(6) . .
C21 O9 Dy1 123.5(5) . .
C21 O10 Ba1 134.9(6) . .
C20 O11 Dy1 124.1(5) . .
C20 O12 Ba2 137.7(6) . .
C10 O14 H14 109.5 . .
C17 O15 H15 109.5 . .
O18' O18 Ba2 89(3) . .
Ba2 O20 Ba2 98.5(2) 2_766 .
Ba1 O21 Ba1 90.06(17) 2_677 .
Ba1 O22 Ba1 90.95(17) . 2_677
O18 O18' Ba2 72(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.400(6) .
Dy1 O11 2.404(6) .
Dy1 N3 2.407(7) .
Dy1 O5 2.411(6) .
Dy1 O9 2.413(6) .
Dy1 O1 2.432(6) .
Dy1 O7 2.436(6) .
Dy1 N2 2.456(7) .
Dy1 N1 2.463(7) .
Ba1 O6 2.668(7) 2_677
Ba1 O10 2.669(6) .
Ba1 O23 2.781(8) .
Ba1 O25 2.806(7) .
Ba1 O24 2.824(8) .
Ba1 O21 2.867(6) 2_677
Ba1 O22 2.906(7) .
Ba1 O22 2.908(6) 2_677
Ba1 O21 2.990(7) .
Ba1 Ba1 4.1449(12) 2_677
Ba2 O12 2.657(6) .
Ba2 O4 2.714(7) 2_766
Ba2 O18 2.726(16) .
Ba2 O16 2.764(8) .
Ba2 O17 2.830(10) .
Ba2 O19 2.833(9) .
Ba2 O20 2.847(7) 2_766
Ba2 O18' 2.86(4) .
Ba2 O20 2.877(7) .
Ba2 Ba2 4.3344(14) 2_766
C1 N1 1.327(11) .
C1 C2 1.395(13) .
C1 C7 1.498(13) .
C2 C3 1.370(14) .
C2 H2 0.9300 .
C3 O13 1.343(12) .
C3 C4 1.394(14) .
C4 C5 1.381(13) .
C4 H4 0.9300 .
C5 N1 1.332(12) .
C5 C6 1.504(13) .
C6 O4 1.237(11) .
C6 O3 1.262(11) .
C7 O2 1.240(11) .
C7 O1 1.264(11) .
C8 N2 1.326(11) .
C8 C9 1.379(12) .
C8 C14 1.514(13) .
C9 C10 1.414(13) .
C9 H9 0.9300 .
C10 O14 1.332(10) .
C10 C11 1.381(13) .
C11 C12 1.371(12) .
C11 H11 0.9300 .
C12 N2 1.335(11) .
C12 C13 1.526(12) .
C13 O8 1.246(11) .
C13 O7 1.249(10) .
C14 O6 1.239(11) .
C14 O5 1.267(11) .
C15 C16 1.349(12) .
C15 N3 1.352(11) .
C15 C21 1.503(11) .
C16 C17 1.418(12) .
C16 H16 0.9300 .
C17 O15 1.325(11) .
C17 C18 1.396(12) .
C18 C19 1.364(12) .
C18 H18 0.9300 .
C19 N3 1.349(10) .
C19 C20 1.491(12) .
C20 O12 1.226(10) .
C20 O11 1.275(10) .
C21 O10 1.239(10) .
C21 O9 1.259(11) .
O4 Ba2 2.714(7) 2_766
O6 Ba1 2.668(7) 2_677
O14 H14 0.8200 .
O15 H15 0.8200 .
O18 O18' 0.91(4) .
O20 Ba2 2.847(6) 2_766
O21 Ba1 2.867(6) 2_677
O22 Ba1 2.908(6) 2_677
O34 O35 1.56(4) .
