#------------------------------------------------------------------------------
#$Date: 2019-11-17 08:53:57 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228961 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/98/7229819.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_7229819
loop_
_publ_author_name
'You, Li-Xin'
'Zhao, Bai-Bei'
'Liu, Hui-Jie'
'Wang, Shu-Ju'
'Xiong, Gang'
'He, Yong-Ke'
'Ding, Fu'
'Joos, Jonas J.'
'Smet, Philippe F.'
'Sun, Ya-Guang'
_publ_section_title
;
 2D and 3D lanthanide metal--organic frameworks constructed from three
 benzenedicarboxylate ligands: synthesis, structure and luminescent
 properties
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              615
_journal_paper_doi               10.1039/C7CE01773A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C34 H26 Dy2 N2 O16, H2 O'
_chemical_formula_sum            'C34 H28 Dy2 N2 O17'
_chemical_formula_weight         1061.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_block_doi                 10.5517/cc1j7mx9
_audit_creation_date             2017-12-05
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_audit_update_record
;
2015-06-18 deposited with the CCDC.
2017-12-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.86(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9610(14)
_cell_length_b                   26.303(5)
_cell_length_c                   17.797(4)
_cell_measurement_reflns_used    5756
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3227.9(12)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_details
;
scan:
    Number of images: 180
               Slice: -60.0000 - 120.0000
         Image width: 1.0000
            Exp time: 20.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 0.0000
                 XTD: 49.9199
              2theta: 29.8955
scan:
    Number of images: 180
               Slice: -60.0000 - 120.0000
         Image width: 1.0000
            Exp time: 20.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 120.0000
                 XTD: 49.9199
              2theta: 29.8955
scan:
    Number of images: 180
               Slice: -60.0000 - 120.0000
         Image width: 1.0000
            Exp time: 20.0000
       Rotation axis: Omega
               Omega: 0.0000
                 Chi: 54.0000
                 Phi: 240.0000
                 XTD: 49.9199
              2theta: 29.8955
;
_diffrn_measurement_device
;
XtaLABmini: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Rigaku Mercury375R (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.089739
_diffrn_orient_matrix_UB_12      0.052777
_diffrn_orient_matrix_UB_13      -0.100959
_diffrn_orient_matrix_UB_21      0.008329
_diffrn_orient_matrix_UB_22      -0.035395
_diffrn_orient_matrix_UB_23      -0.011099
_diffrn_orient_matrix_UB_31      -0.037587
_diffrn_orient_matrix_UB_32      0.004405
_diffrn_orient_matrix_UB_33      -0.042254
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1437
_diffrn_reflns_av_unetI/netI     0.0884
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22508
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         3.054
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           12.0
_diffrn_source_power             0.6
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    4.684
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.996
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.184
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.587
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         5612
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0511P)²+4.3261P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1425
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4259
_reflns_number_total             5612
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ce01773a2.cif
_cod_data_source_block           787878_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229803--7229819.cif.
;
_cod_database_code               7229819
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H17B-O17
 0.85 with sigma of 0.01
 O17-H17A
 0.85 with sigma of 0.01
 H17A-H17B
 1.39 with sigma of 0.01
 H11B_$1-H17B
 2.2 with sigma of 0.01
3.a Rotating group:
 O10(H10A,H10B), O9(H9A,H9B), O11(H11A,H11B), O12(H12A,H12B)
3.b Aromatic/amide H refined with riding coordinates:
 C25(H25), C21(H21), C29(H29), C94(H94), C7(H7), C15(H15), C11(H11), C13(H13),
 C27(H27), C24(H24), C22(H22), C3(H3), C5(H5), C17(H17), C4(H4), C20(H20),
 C19(H19), C18(H18)
;
_shelx_shelxl_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
O16 O 0.6062(11) 0.1182(2) 0.5398(4) 0.0654(18) Uani 1 1 d .
O15 O 0.3270(10) 0.1572(2) 0.5273(4) 0.0576(16) Uani 1 1 d .
C1 C 0.5073(16) 0.1581(3) 0.5286(5) 0.052(2) Uani 1 1 d .
O8 O -0.0458(10) 0.5797(2) 0.4501(4) 0.0576(16) Uani 1 1 d .
C9 C 0.0240(14) 0.5489(4) 0.4079(5) 0.048(2) Uani 1 1 d .
O1 O 0.5764(12) 0.5376(3) 0.4462(4) 0.0639(18) Uani 1 1 d .
C25 C 0.6555(17) 0.7615(4) 0.3288(6) 0.064(3) Uani 1 1 d .
H25 H 0.700317 0.776884 0.374920 0.076 Uiso 1 1 calc R
N2 N 0.5957(15) 0.7914(3) 0.2696(5) 0.068(2) Uani 1 1 d .
C21 C 0.5313(18) 0.7679(4) 0.2048(7) 0.067(3) Uani 1 1 d .
H21 H 0.488173 0.787594 0.162495 0.081 Uiso 1 1 calc R
O4 O 0.6929(10) 0.5513(2) 0.0591(3) 0.0529(15) Uani 1 1 d .
C2 C 0.6087(15) 0.2078(3) 0.5202(5) 0.053(2) Uani 1 1 d .
Dy1 Dy 0.31802(6) 0.43003(2) 0.06620(2) 0.04379(16) Uani 1 1 d .
Dy2 Dy 0.23660(6) 0.43175(2) 0.45086(2) 0.04557(16) Uani 1 1 d .
O2 O 0.4327(10) 0.4760(2) 0.3753(3) 0.0522(15) Uani 1 1 d .
O14 O 0.2946(10) 0.3438(2) 0.4858(4) 0.0560(16) Uani 1 1 d .
O5 O 0.1838(10) 0.5177(3) 0.0801(3) 0.0536(15) Uani 1 1 d .
O6 O 0.1544(10) 0.4610(2) 0.1681(3) 0.0545(16) Uani 1 1 d .
O13 O 0.5501(11) 0.3840(2) 0.4586(4) 0.0634(18) Uani 1 1 d .
C29 C 0.5734(13) 0.5236(3) 0.2459(5) 0.049(2) Uani 1 1 d .
H29 H 0.564792 0.488408 0.242759 0.059 Uiso 1 1 calc R
C10 C 0.0533(13) 0.5671(3) 0.3284(5) 0.0458(19) Uani 1 1 d .
C28 C 0.6037(13) 0.5509(3) 0.1833(5) 0.048(2) Uani 1 1 d .
C94 C 0.5598(13) 0.5996(3) 0.3163(5) 0.0458(19) Uani 1 1 d .
H94 H 0.547227 0.615697 0.361885 0.055 Uiso 1 1 calc R
C7 C 0.5023(14) 0.2515(3) 0.5045(5) 0.048(2) Uani 1 1 d .
H7 H 0.367579 0.249929 0.496821 0.058 Uiso 1 1 calc R
C8 C 0.4706(14) 0.3442(3) 0.4803(5) 0.050(2) Uani 1 1 d .
C30 C 0.1478(12) 0.5077(3) 0.1459(5) 0.0466(19) Uani 1 1 d .
C32 C 0.5217(13) 0.5176(3) 0.3838(5) 0.049(2) Uani 1 1 d .
C15 C 0.0509(13) 0.6189(3) 0.3114(5) 0.048(2) Uani 1 1 d .
H15 H 0.033393 0.642612 0.348590 0.058 Uiso 1 1 calc R
C11 C 0.0807(13) 0.5326(3) 0.2731(5) 0.0450(19) Uani 1 1 d .
H11 H 0.082303 0.498152 0.284942 0.054 Uiso 1 1 calc R
C26 C 0.5824(13) 0.6291(3) 0.2534(5) 0.0476(19) Uani 1 1 d .
C31 C 0.5553(13) 0.5473(3) 0.3133(5) 0.0471(19) Uani 1 1 d .
C6 C 0.5955(14) 0.2981(3) 0.4999(5) 0.051(2) Uani 1 1 d .
C13 C 0.1029(14) 0.5994(4) 0.1835(5) 0.053(2) Uani 1 1 d .
H13 H 0.119770 0.609904 0.134882 0.063 Uiso 1 1 calc R
C12 C 0.1058(13) 0.5470(3) 0.2010(5) 0.048(2) Uani 1 1 d .
C27 C 0.6068(13) 0.6043(3) 0.1860(5) 0.048(2) Uani 1 1 d .
H27 H 0.625030 0.623053 0.143205 0.057 Uiso 1 1 calc R
C24 C 0.6547(15) 0.7100(4) 0.3259(6) 0.057(2) Uani 1 1 d .
H24 H 0.698648 0.691060 0.368968 0.068 Uiso 1 1 calc R
C33 C 0.6232(12) 0.5258(3) 0.1087(5) 0.0444(19) Uani 1 1 d .
C14 C 0.0751(14) 0.6354(4) 0.2380(5) 0.051(2) Uani 1 1 d .
C23 C 0.5877(14) 0.6856(4) 0.2578(5) 0.050(2) Uani 1 1 d .
C22 C 0.5256(18) 0.7155(4) 0.1975(6) 0.064(3) Uani 1 1 d .
H22 H 0.478966 0.700799 0.151037 0.077 Uiso 1 1 calc R
C3 C 0.8100(17) 0.2113(4) 0.5330(7) 0.066(3) Uani 1 1 d .
H3 H 0.884076 0.182170 0.544146 0.079 Uiso 1 1 calc R
C16 C 0.0639(15) 0.6904(4) 0.2199(6) 0.059(2) Uani 1 1 d .
C5 C 0.7918(16) 0.3016(4) 0.5123(6) 0.062(3) Uani 1 1 d .
H5 H 0.852437 0.332872 0.509561 0.074 Uiso 1 1 calc R
C17 C -0.0173(16) 0.7088(4) 0.1491(6) 0.065(3) Uani 1 1 d .
H17 H -0.061459 0.686657 0.109825 0.078 Uiso 1 1 calc R
C4 C 0.9011(16) 0.2579(4) 0.5291(7) 0.066(3) Uani 1 1 d .
H4 H 1.035671 0.259874 0.537850 0.079 Uiso 1 1 calc R
C20 C 0.1258(17) 0.7273(4) 0.2753(7) 0.065(3) Uani 1 1 d .
H20 H 0.182945 0.717566 0.323504 0.078 Uiso 1 1 calc R
N1 N 0.0197(19) 0.7958(4) 0.1899(7) 0.091(3) Uani 1 1 d .
C19 C 0.100(2) 0.7784(5) 0.2569(8) 0.082(4) Uani 1 1 d .
H19 H 0.142165 0.802177 0.294250 0.099 Uiso 1 1 calc R
C18 C -0.031(2) 0.7615(4) 0.1386(7) 0.077(3) Uani 1 1 d .
H18 H -0.080464 0.772994 0.090464 0.093 Uiso 1 1 calc R
O3 O 0.5789(10) 0.4794(2) 0.1011(3) 0.0516(15) Uani 1 1 d .
O7 O 0.0615(12) 0.5032(2) 0.4224(4) 0.0647(19) Uani 1 1 d .
O10 O -0.0172(10) 0.4164(3) 0.0212(4) 0.0560(15) Uani 1 1 d .
H10A H -0.040467 0.384193 0.013022 0.084 Uiso 1 1 d GR
H10B H -0.050306 0.432771 -0.021222 0.084 Uiso 1 1 d GR
O9 O 0.4500(11) 0.3890(3) 0.1841(4) 0.0641(18) Uani 1 1 d .
H9A H 0.581102 0.387071 0.189654 0.096 Uiso 1 1 d GR
H9B H 0.405956 0.356749 0.186752 0.096 Uiso 1 1 d GR
O11 O 0.2306(11) 0.3917(3) 0.3262(4) 0.0638(18) Uani 1 1 d .
H11A H 0.281360 0.412193 0.293213 0.096 Uiso 1 1 d GR
H11B H 0.108674 0.384107 0.304929 0.096 Uiso 1 1 d DGR
O12 O -0.0905(12) 0.3987(4) 0.3959(4) 0.078(2) Uani 1 1 d .
H12A H -0.077034 0.375569 0.363069 0.117 Uiso 1 1 d GR
H12B H -0.159068 0.423028 0.374097 0.117 Uiso 1 1 d GR
O17 O 0.8360(15) 0.4071(4) 0.2249(6) 0.092(3) Uani 1 1 d D
H17A H 0.85(2) 0.403(5) 0.179(3) 0.138 Uiso 1 1 d DR
H17B H 0.892(13) 0.4344(15) 0.241(6) 0.138 Uiso 1 1 d DR
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'
Dy Dy -0.1892 4.4098 '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'
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
C1 O16 Dy1 91.0(6) . 4_566
C1 O15 Dy1 94.5(5) . 4_566
O16 C1 C2 119.2(9) . .
O16 C1 Dy1 62.2(5) . 4_566
O15 C1 O16 120.9(9) . .
O15 C1 C2 119.9(8) . .
O15 C1 Dy1 59.0(5) . 4_566
C2 C1 Dy1 171.6(6) . 4_566
C9 O8 Dy2 132.2(6) . 3_566
O8 C9 C10 117.8(8) . .
O8 C9 O7 125.9(8) . .
O7 C9 C10 116.2(7) . .
C32 O1 Dy2 162.7(7) . 3_666
N2 C25 H25 118.0 . .
N2 C25 C24 124.0(10) . .
C24 C25 H25 118.0 . .
C21 N2 C25 116.2(9) . .
N2 C21 H21 118.5 . .
N2 C21 C22 123.1(10) . .
C22 C21 H21 118.5 . .
C33 O4 Dy1 147.0(6) . 3_665
C7 C2 C1 120.0(9) . .
C7 C2 C3 118.6(9) . .
C3 C2 C1 121.2(8) . .
O16 Dy1 C1 26.7(3) 4_565 4_565
O16 Dy1 O5 144.3(2) 4_565 .
O15 Dy1 O16 53.2(2) 4_565 4_565
O15 Dy1 C1 26.5(2) 4_565 4_565
O15 Dy1 O5 158.5(2) 4_565 .
O15 Dy1 O6 125.0(2) 4_565 .
O15 Dy1 O9 78.6(2) 4_565 .
O4 Dy1 O16 81.0(3) 3_665 4_565
O4 Dy1 O15 85.5(2) 3_665 4_565
O4 Dy1 C1 84.1(2) 3_665 4_565
O4 Dy1 O5 86.3(2) 3_665 .
O4 Dy1 O6 135.1(2) 3_665 .
O4 Dy1 O10 78.7(2) 3_665 .
O4 Dy1 O9 154.4(3) 3_665 .
O5 Dy1 C1 168.3(2) . 4_565
O6 Dy1 O16 142.7(2) . 4_565
O6 Dy1 C1 138.4(2) . 4_565
O6 Dy1 O5 52.8(2) . .
O6 Dy1 O9 70.2(2) . .
O3 Dy1 O16 72.8(2) . 4_565
O3 Dy1 O15 125.4(2) . 4_565
O3 Dy1 C1 99.0(3) . 4_565
O3 Dy1 O4 93.6(2) . 3_665
O3 Dy1 O5 74.9(2) . .
O3 Dy1 O6 92.5(2) . .
O3 Dy1 O10 153.3(2) . .
O3 Dy1 O9 79.8(2) . .
O10 Dy1 O16 129.8(2) . 4_565
O10 Dy1 O15 79.8(2) . 4_565
O10 Dy1 C1 105.5(3) . 4_565
O10 Dy1 O5 79.1(2) . .
O10 Dy1 O6 76.2(2) . .
O10 Dy1 O9 117.4(2) . .
O9 Dy1 O16 73.5(3) . 4_565
O9 Dy1 C1 72.7(2) . 4_565
O9 Dy1 O5 115.2(2) . .
O8 Dy2 O14 77.2(2) 3_566 .
O8 Dy2 O13 118.0(2) 3_566 .
O8 Dy2 O11 132.7(2) 3_566 .
O8 Dy2 O12 71.0(2) 3_566 .
O1 Dy2 O8 76.1(3) 3_666 3_566
O1 Dy2 O2 88.4(2) 3_666 .
O1 Dy2 O14 94.4(2) 3_666 .
O1 Dy2 O13 74.4(3) 3_666 .
O1 Dy2 O7 96.8(3) 3_666 .
O1 Dy2 O11 145.9(3) 3_666 .
O1 Dy2 O12 146.8(3) 3_666 .
O2 Dy2 O8 156.6(2) . 3_566
O2 Dy2 O14 122.1(2) . .
O2 Dy2 O13 73.1(2) . .
O2 Dy2 O11 68.6(2) . .
O2 Dy2 O12 121.0(2) . .
O14 Dy2 O13 52.6(2) . .
O14 Dy2 O11 78.6(2) . .
O14 Dy2 O12 83.1(3) . .
O13 Dy2 O12 125.9(3) . .
O7 Dy2 O8 86.1(2) . 3_566
O7 Dy2 O2 78.3(2) . .
O7 Dy2 O14 157.0(3) . .
O7 Dy2 O13 150.3(2) . .
O7 Dy2 O11 102.3(3) . .
O7 Dy2 O12 76.6(3) . .
O11 Dy2 O13 75.0(2) . .
O11 Dy2 O12 66.2(3) . .
C32 O2 Dy2 132.7(6) . .
C8 O14 Dy2 95.9(5) . .
C30 O5 Dy1 91.4(5) . .
C30 O6 Dy1 95.3(5) . .
C8 O13 Dy2 91.0(6) . .
C28 C29 H29 119.4 . .
C28 C29 C31 121.2(9) . .
C31 C29 H29 119.4 . .
C15 C10 C9 120.4(7) . .
C11 C10 C9 120.4(7) . .
C11 C10 C15 119.2(8) . .
C29 C28 C27 120.0(8) . .
C29 C28 C33 122.1(8) . .
C27 C28 C33 117.8(8) . .
C26 C94 H94 118.9 . .
C31 C94 H94 118.9 . .
C31 C94 C26 122.2(8) . .
C2 C7 H7 119.8 . .
C2 C7 C6 120.3(9) . .
C6 C7 H7 119.8 . .
O14 C8 O13 120.5(9) . .
O14 C8 C6 121.3(8) . .
O13 C8 C6 118.2(9) . .
O5 C30 O6 118.7(8) . .
O5 C30 C12 123.7(8) . .
O6 C30 C12 117.6(8) . .
O1 C32 O2 124.2(8) . .
O1 C32 C31 117.2(8) . .
O2 C32 C31 118.5(8) . .
C10 C15 H15 119.9 . .
C10 C15 C14 120.2(8) . .
C14 C15 H15 119.9 . .
C10 C11 H11 118.8 . .
C10 C11 C12 122.5(8) . .
C12 C11 H11 118.8 . .
C94 C26 C27 118.2(8) . .
C94 C26 C23 121.4(8) . .
C27 C26 C23 120.4(8) . .
C29 C31 C94 118.8(8) . .
C29 C31 C32 122.0(8) . .
C94 C31 C32 119.1(8) . .
C7 C6 C8 117.6(9) . .
C5 C6 C7 121.0(9) . .
C5 C6 C8 121.4(9) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C14 C13 C12 120.6(8) . .
C11 C12 C30 119.3(8) . .
C11 C12 C13 118.5(8) . .
C13 C12 C30 122.1(8) . .
C28 C27 H27 120.3 . .
C26 C27 C28 119.5(8) . .
C26 C27 H27 120.3 . .
C25 C24 H24 120.2 . .
C25 C24 C23 119.6(10) . .
C23 C24 H24 120.2 . .
O4 C33 C28 118.4(8) . .
O4 C33 O3 123.5(8) . .
O3 C33 C28 118.0(8) . .
C15 C14 C16 119.5(8) . .
C13 C14 C15 119.0(8) . .
C13 C14 C16 121.4(8) . .
C24 C23 C26 120.6(8) . .
C22 C23 C26 122.4(9) . .
C22 C23 C24 117.0(9) . .
C21 C22 H22 119.9 . .
C23 C22 C21 120.1(10) . .
C23 C22 H22 119.9 . .
C2 C3 H3 119.7 . .
C4 C3 C2 120.6(9) . .
C4 C3 H3 119.7 . .
C17 C16 C14 122.5(10) . .
C17 C16 C20 116.2(10) . .
C20 C16 C14 121.2(10) . .
C6 C5 H5 120.3 . .
C6 C5 C4 119.3(10) . .
C4 C5 H5 120.3 . .
C16 C17 H17 120.8 . .
C16 C17 C18 118.4(11) . .
C18 C17 H17 120.8 . .
C3 C4 C5 120.1(10) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
C16 C20 H20 120.5 . .
C19 C20 C16 118.9(12) . .
C19 C20 H20 120.5 . .
C18 N1 C19 115.7(11) . .
C20 C19 H19 117.6 . .
N1 C19 C20 124.7(13) . .
N1 C19 H19 117.6 . .
C17 C18 H18 117.0 . .
N1 C18 C17 126.0(12) . .
N1 C18 H18 117.0 . .
C33 O3 Dy1 139.9(6) . .
C9 O7 Dy2 159.6(7) . .
Dy1 O10 H10A 110.6 . .
Dy1 O10 H10B 110.3 . .
H10A O10 H10B 108.3 . .
Dy1 O9 H9A 112.1 . .
Dy1 O9 H9B 111.8 . .
H9A O9 H9B 106.6 . .
Dy2 O11 H11A 111.9 . .
Dy2 O11 H11B 111.9 . .
H11A O11 H11B 106.8 . .
Dy2 O12 H12A 109.5 . .
Dy2 O12 H12B 109.7 . .
H12A O12 H12B 109.1 . .
H17A O17 H17B 109.4(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O16 C1 1.257(11) .
O16 Dy1 2.472(7) 4_566
O15 C1 1.252(12) .
O15 Dy1 2.400(6) 4_566
C1 C2 1.502(13) .
C1 Dy1 2.793(9) 4_566
O8 C9 1.247(11) .
O8 Dy2 2.367(6) 3_566
C9 C10 1.532(11) .
C9 O7 1.250(11) .
O1 Dy2 2.247(7) 3_666
O1 C32 1.240(11) .
C25 H25 0.9300 .
C25 N2 1.335(13) .
C25 C24 1.355(14) .
N2 C21 1.330(14) .
C21 H21 0.9300 .
C21 C22 1.385(14) .
O4 Dy1 2.274(6) 3_665
O4 C33 1.259(10) .
C2 C7 1.375(13) .
C2 C3 1.392(15) .
Dy1 O5 2.513(6) .
Dy1 O6 2.411(6) .
Dy1 O3 2.250(6) .
Dy1 O10 2.388(7) .
Dy1 O9 2.426(7) .
Dy2 O2 2.351(6) .
Dy2 O14 2.416(6) .
Dy2 O13 2.505(7) .
Dy2 O7 2.260(7) .
Dy2 O11 2.451(7) .
Dy2 O12 2.508(8) .
O2 C32 1.257(11) .
O14 C8 1.242(11) .
O5 C30 1.257(10) .
O6 C30 1.291(10) .
O13 C8 1.270(11) .
C29 H29 0.9300 .
C29 C28 1.365(12) .
C29 C31 1.374(12) .
C10 C15 1.396(12) .
C10 C11 1.371(11) .
C28 C27 1.407(13) .
C28 C33 1.505(11) .
C94 H94 0.9300 .
C94 C26 1.388(12) .
C94 C31 1.376(13) .
C7 H7 0.9300 .
C7 C6 1.395(13) .
C8 C6 1.505(13) .
C30 C12 1.482(12) .
C32 C31 1.522(12) .
C15 H15 0.9300 .
C15 C14 1.407(12) .
C11 H11 0.9300 .
C11 C12 1.372(12) .
C26 C27 1.396(12) .
C26 C23 1.487(12) .
C6 C5 1.357(14) .
C13 H13 0.9300 .
C13 C12 1.413(13) .
C13 C14 1.388(13) .
C27 H27 0.9300 .
C24 H24 0.9300 .
C24 C23 1.394(13) .
C33 O3 1.261(10) .
C14 C16 1.483(13) .
C23 C22 1.353(13) .
C22 H22 0.9300 .
C3 H3 0.9300 .
C3 C4 1.385(15) .
C16 C17 1.396(14) .
C16 C20 1.408(15) .
C5 H5 0.9300 .
C5 C4 1.388(15) .
C17 H17 0.9300 .
C17 C18 1.399(15) .
C4 H4 0.9300 .
C20 H20 0.9300 .
C20 C19 1.390(16) .
N1 C19 1.327(17) .
N1 C18 1.296(16) .
C19 H19 0.9300 .
C18 H18 0.9300 .
O10 H10A 0.8721 .
O10 H10B 0.8718 .
O9 H9A 0.9059 .
O9 H9B 0.9049 .
O11 H11A 0.9032 .
O11 H11B 0.9034 .
O12 H12A 0.8575 .
O12 H12B 0.8580 .
O17 H17A 0.851(10) .
O17 H17B 0.851(11) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O16 C1 C2 C7 177.0(9) .
O16 C1 C2 C3 -7.3(14) .
O15 C1 C2 C7 -5.8(13) .
O15 C1 C2 C3 170.0(10) .
C1 C2 C7 C6 177.2(8) .
C1 C2 C3 C4 -176.4(10) .
O8 C9 C10 C15 16.5(14) .
O8 C9 C10 C11 -163.1(9) .
O8 C9 O7 Dy2 -110.2(17) .
C9 C10 C15 C14 -179.1(9) .
C9 C10 C11 C12 179.4(9) .
O1 C32 C31 C29 154.2(9) .
O1 C32 C31 C94 -28.5(13) .
C25 N2 C21 C22 -0.2(18) .
C25 C24 C23 C26 -179.0(10) .
C25 C24 C23 C22 -0.2(15) .
N2 C25 C24 C23 -0.3(17) .
N2 C21 C22 C23 -0.2(19) .
O4 C33 O3 Dy1 -97.1(11) .
C2 C7 C6 C8 178.3(8) .
C2 C7 C6 C5 -1.3(14) .
C2 C3 C4 C5 -0.1(18) .
Dy1 O16 C1 O15 -6.6(9) 4_566
Dy1 O16 C1 C2 170.6(7) 4_566
Dy1 O15 C1 O16 6.8(9) 4_566
Dy1 O15 C1 C2 -170.4(7) 4_566
Dy1 O4 C33 C28 -141.8(9) 3_665
Dy1 O4 C33 O3 42.4(17) 3_665
Dy1 O5 C30 O6 -13.0(8) .
Dy1 O5 C30 C12 164.3(8) .
Dy1 O6 C30 O5 13.7(9) .
Dy1 O6 C30 C12 -163.8(7) .
Dy2 O8 C9 C10 150.9(7) 3_566
Dy2 O8 C9 O7 -24.3(15) 3_566
Dy2 O1 C32 O2 113(2) 3_666
Dy2 O1 C32 C31 -71(2) 3_666
Dy2 O2 C32 O1 24.7(14) .
Dy2 O2 C32 C31 -151.6(6) .
Dy2 O14 C8 O13 -2.4(9) .
Dy2 O14 C8 C6 176.9(7) .
Dy2 O13 C8 O14 2.3(9) .
Dy2 O13 C8 C6 -177.0(7) .
O2 C32 C31 C29 -29.3(13) .
O2 C32 C31 C94 148.0(9) .
O14 C8 C6 C7 16.9(13) .
O14 C8 C6 C5 -163.5(9) .
O5 C30 C12 C11 -175.8(9) .
O5 C30 C12 C13 0.1(14) .
O6 C30 C12 C11 1.6(12) .
O6 C30 C12 C13 177.4(9) .
O13 C8 C6 C7 -163.8(9) .
O13 C8 C6 C5 15.8(14) .
C29 C28 C27 C26 1.2(14) .
C29 C28 C33 O4 -164.4(9) .
C29 C28 C33 O3 11.7(13) .
C10 C9 O7 Dy2 75(2) .
C10 C15 C14 C13 -0.6(14) .
C10 C15 C14 C16 177.4(9) .
C10 C11 C12 C30 175.9(8) .
C10 C11 C12 C13 -0.1(14) .
C28 C29 C31 C94 2.8(14) .
C28 C29 C31 C32 -179.9(9) .
C28 C33 O3 Dy1 87.1(11) .
C94 C26 C27 C28 1.3(13) .
C94 C26 C23 C24 28.5(14) .
C94 C26 C23 C22 -150.3(10) .
C7 C2 C3 C4 -0.6(16) .
C7 C6 C5 C4 0.6(16) .
C8 C6 C5 C4 -179.1(9) .
C15 C10 C11 C12 -0.1(14) .
C15 C14 C16 C17 -144.1(10) .
C15 C14 C16 C20 32.2(15) .
C11 C10 C15 C14 0.5(14) .
C26 C94 C31 C29 -0.2(14) .
C26 C94 C31 C32 -177.5(8) .
C26 C23 C22 C21 179.2(10) .
C31 C29 C28 C27 -3.3(14) .
C31 C29 C28 C33 -179.8(8) .
C31 C94 C26 C27 -1.9(14) .
C31 C94 C26 C23 -179.7(9) .
C6 C5 C4 C3 0.2(17) .
C13 C14 C16 C17 33.9(16) .
C13 C14 C16 C20 -149.8(10) .
C12 C13 C14 C15 0.4(15) .
C12 C13 C14 C16 -177.6(9) .
C27 C28 C33 O4 19.1(13) .
C27 C28 C33 O3 -164.8(8) .
C27 C26 C23 C24 -149.4(9) .
C27 C26 C23 C22 31.9(15) .
C24 C25 N2 C21 0.4(17) .
C24 C23 C22 C21 0.4(16) .
C33 C28 C27 C26 177.8(8) .
C14 C13 C12 C30 -176.0(9) .
C14 C13 C12 C11 0.0(14) .
C14 C16 C17 C18 176.6(10) .
C14 C16 C20 C19 -175.6(10) .
C23 C26 C27 C28 179.2(9) .
C3 C2 C7 C6 1.3(14) .
C16 C17 C18 N1 -3(2) .
C16 C20 C19 N1 0(2) .
C17 C16 C20 C19 0.9(15) .
C20 C16 C17 C18 0.1(16) .
C19 N1 C18 C17 4(2) .
C18 N1 C19 C20 -2(2) .
O7 C9 C10 C15 -167.9(9) .
O7 C9 C10 C11 12.5(13) .
