#------------------------------------------------------------------------------
#$Date: 2017-06-28 05:58:49 +0300 (Wed, 28 Jun 2017) $
#$Revision: 198184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/85/7228556.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_7228556
loop_
_publ_author_name
'Yang, Jing'
'Ma, Fang'
'Deng, Xuebin'
'Sun, Hao-Ling'
'Zhang, Yiquan'
_publ_section_title
;
 Construction and magnetic study of two new dysprosium complexes with
 chain or tetranuclear structure
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE00747G
_journal_year                    2017
_chemical_formula_moiety         'C38 H34 Dy2 N12 O14, 2(C3 H7 N O)'
_chemical_formula_sum            'C44 H48 Dy2 N14 O16'
_chemical_formula_weight         1353.95
_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_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2016-09-08
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2017-04-19 deposited with the CCDC.
2017-06-27 downloaded from the CCDC.
;
_cell_angle_alpha                113.320(6)
_cell_angle_beta                 105.223(5)
_cell_angle_gamma                100.116(5)
_cell_formula_units_Z            1
_cell_length_a                   10.5498(5)
_cell_length_b                   11.5578(8)
_cell_length_c                   12.2337(8)
_cell_measurement_reflns_used    3636
_cell_measurement_temperature    298.54(10)
_cell_measurement_theta_max      26.9800
_cell_measurement_theta_min      3.8570
_cell_volume                     1254.24(17)
_computing_cell_refinement       'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.6a (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.54(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3127
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.8170
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -4.00  81.00   1.00    3.00    --   12.45  37.00   0.00   85
  2  ω     -1.00  30.00   1.00    3.00    --   12.45  37.00  90.00   31
  3  ω    -77.00  10.00   1.00    3.00    --  -11.20 -57.00  60.00   87
  4  ω      3.00  29.00   1.00    3.00    --  -11.20 -99.00-180.00   26
  5  ω    -37.00  61.00   1.00    3.00    --  -11.20  57.00-150.00   98
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0314729000
_diffrn_orient_matrix_UB_12      0.0463797000
_diffrn_orient_matrix_UB_13      -0.0170055000
_diffrn_orient_matrix_UB_21      -0.0249707000
_diffrn_orient_matrix_UB_22      0.0480798000
_diffrn_orient_matrix_UB_23      0.0377192000
_diffrn_orient_matrix_UB_31      0.0614627000
_diffrn_orient_matrix_UB_32      0.0223344000
_diffrn_orient_matrix_UB_33      0.0538365000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0586
_diffrn_reflns_av_unetI/netI     0.1084
_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       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10938
_diffrn_reflns_theta_full        26.0000
_diffrn_reflns_theta_max         29.77
_diffrn_reflns_theta_min         3.35
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.040
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.6a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.7924
_exptl_crystal_description       block
_exptl_crystal_F_000             670.1173
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.7177
_refine_diff_density_min         -2.0723
_refine_diff_density_rms         0.2862
_refine_ls_d_res_high            0.7158
_refine_ls_d_res_low             6.0787
_refine_ls_goodness_of_fit_ref   0.9946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    40
_refine_ls_number_parameters     346
_refine_ls_number_reflns         5859
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.9946
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.0027
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0116P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0761
_refine_ls_wR_factor_ref         0.0865
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              12
_reflns_limit_k_min              -14
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                4888
_reflns_number_total             5859
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c7ce00747g2.cif
_cod_data_source_block           20160822a
_cod_original_cell_volume        1254.23(16)
_cod_database_code               7228556
_chemical_oxdiff_formula         'C1 H1 N1 O1 Dy1'
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C7(H7), C5(H5), C1(H1), C3(H3), C9(H9), C2(H2), C10(H10), C14(H14),
 C13(H13), C12(H12), C20(H20)
2.b Idealised Me refined as rotating group:
 C21(H21a,H21b,H21c), C22(H22a,H22b,H22c), C19(H19a,H19b,H19c), C18(H18a,H18b,
 H18c)
;
_olex2_date_sample_data_collection 2016-08-22
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.281
_oxdiff_exptl_absorpt_empirical_full_min 0.831
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
Dy1 Dy 0.09638(2) 0.49633(2) -0.11899(2) 0.01417(8) Uani 1.000000 .
O3 O 1.0965(3) 0.4570(3) 0.0575(3) 0.0151(8) Uani 1.000000 .
O7 O -0.0130(3) 0.2639(4) -0.2098(3) 0.0203(8) Uani 1.000000 .
O1 O 0.2728(3) 0.6788(4) 0.0577(3) 0.0206(9) Uani 1.000000 .
O2 O 0.7126(3) 0.5772(4) 0.1443(3) 0.0173(8) Uani 1.000000 .
O4 O 0.0810(4) 0.7285(4) -0.1016(4) 0.0282(10) Uani 1.000000 .
O5 O 0.2117(4) 0.6428(4) -0.1955(4) 0.0281(9) Uani 1.000000 .
N3 N 0.9109(4) 0.6249(4) 0.3455(4) 0.0175(10) Uani 1.000000 .
N4 N 1.1076(4) 0.5313(4) 0.2957(4) 0.0142(9) Uani 1.000000 .
N2 N 0.8040(4) 0.6718(4) 0.3675(4) 0.0164(10) Uani 1.000000 .
N1 N 0.3664(4) 0.6920(5) 0.1634(4) 0.0190(10) Uani 1.000000 .
N5 N 0.1631(5) 0.7383(5) -0.1577(5) 0.0301(12) Uani 1.000000 .
N6 N -0.0604(5) 0.0533(5) -0.2371(5) 0.0294(12) Uani 1.000000 .
C15 C 1.1872(5) 0.4246(5) 0.1296(5) 0.0169(11) Uani 1.000000 .
C17 C -0.0295(5) 0.1817(6) -0.1688(5) 0.0229(13) Uani 1.000000 .
H17 H -0.0192(5) 0.2140(6) -0.0831(5) 0.0275(16) Uiso 1.000000 R
C4 C 0.5821(5) 0.6752(5) 0.2656(5) 0.0139(11) Uani 1.000000 .
C6 C 0.7079(5) 0.6372(5) 0.2554(5) 0.0163(11) Uani 1.000000 .
C16 C 1.1957(5) 0.4649(5) 0.2592(5) 0.0146(11) Uani 1.000000 .
O6 O 0.1954(5) 0.8336(5) -0.1769(5) 0.0603(15) Uani 1.000000 .
C8 C 1.1151(5) 0.5787(5) 0.4170(5) 0.0171(12) Uani 1.000000 .
O8 O 0.5847(5) -0.0662(5) 0.6860(4) 0.0549(14) Uani 1.000000 .
C7 C 1.0096(5) 0.6396(5) 0.4427(5) 0.0180(12) Uani 1.000000 .
H7 H 1.0133(5) 0.6871(5) 0.5257(5) 0.0216(14) Uiso 1.000000 R
C5 C 0.4779(5) 0.6531(5) 0.1555(5) 0.0194(12) Uani 1.000000 .
H5 H 0.4855(5) 0.6113(5) 0.0762(5) 0.0233(14) Uiso 1.000000 R
C1 C 0.3482(5) 0.7484(5) 0.2762(5) 0.0203(12) Uani 1.000000 .
H1 H 0.2694(5) 0.7733(5) 0.2787(5) 0.0243(15) Uiso 1.000000 R
C3 C 0.5653(5) 0.7347(6) 0.3830(5) 0.0218(13) Uani 1.000000 .
H3 H 0.6336(5) 0.7514(6) 0.4581(5) 0.0262(15) Uiso 1.000000 R
C9 C 1.2115(5) 0.5612(5) 0.5077(5) 0.0187(12) Uani 1.000000 .
H9 H 1.2193(5) 0.6002(5) 0.5929(5) 0.0224(14) Uiso 1.000000 R
C2 C 0.4464(5) 0.7686(5) 0.3867(5) 0.0191(12) Uani 1.000000 .
H2 H 0.4331(5) 0.8051(5) 0.4640(5) 0.0230(14) Uiso 1.000000 R
C10 C 1.2933(5) 0.4872(6) 0.4707(5) 0.0205(12) Uani 1.000000 .
H10 H 1.3528(5) 0.4704(6) 0.5295(5) 0.0246(15) Uiso 1.000000 R
C14 C 1.2738(5) 0.3536(6) 0.0894(5) 0.0232(13) Uani 1.000000 .
H14 H 1.2721(5) 0.3260(6) 0.0065(5) 0.0278(15) Uiso 1.000000 R
C11 C 1.2885(5) 0.4351(5) 0.3431(5) 0.0185(12) Uani 1.000000 .
N7 N 0.4537(6) 0.0234(5) 0.7961(5) 0.0381(14) Uani 1.000000 .
C13 C 1.3640(5) 0.3230(6) 0.1734(5) 0.0233(13) Uani 1.000000 .
H13 H 1.4212(5) 0.2759(6) 0.1440(5) 0.0279(15) Uiso 1.000000 R
C12 C 1.3715(5) 0.3592(6) 0.2955(5) 0.0237(13) Uani 1.000000 .
H12 H 1.4302(5) 0.3345(6) 0.3472(5) 0.0285(16) Uiso 1.000000 R
C20 C 0.5690(8) -0.0023(7) 0.7857(7) 0.0441(18) Uani 1.000000 .
H20 H 0.6449(8) 0.0315(7) 0.8613(7) 0.053(2) Uiso 1.000000 R
C21 C 0.4467(7) 0.1013(7) 0.9207(6) 0.049(2) Uani 1.000000 .
H21a H 0.385(4) 0.0456(12) 0.938(2) 0.073(3) Uiso 1.000000 GR
H21b H 0.5373(12) 0.136(4) 0.9859(8) 0.073(3) Uiso 1.000000 GR
H21c H 0.413(4) 0.173(3) 0.9198(14) 0.073(3) Uiso 1.000000 GR
C22 C 0.3315(7) -0.0271(7) 0.6807(6) 0.0497(19) Uani 1.000000 .
H22a H 0.3589(8) -0.020(4) 0.6142(15) 0.075(3) Uiso 1.000000 GR
H22b H 0.285(3) -0.1186(15) 0.653(3) 0.075(3) Uiso 1.000000 GR
H22c H 0.270(2) 0.024(3) 0.6984(14) 0.075(3) Uiso 1.000000 GR
C19 C -0.0850(7) -0.0366(7) -0.1840(7) 0.053(2) Uani 1.000000 .
H19a H -0.066(5) 0.0137(7) -0.0943(13) 0.079(3) Uiso 1.000000 GR
H19b H -0.1799(14) -0.092(3) -0.227(3) 0.079(3) Uiso 1.000000 GR
H19c H -0.026(3) -0.091(3) -0.196(4) 0.079(3) Uiso 1.000000 GR
C18 C -0.0798(10) -0.0020(8) -0.3713(7) 0.081(3) Uani 1.000000 .
H18a H -0.1745(18) -0.020(6) -0.4210(9) 0.122(5) Uiso 1.000000 GR
H18b H -0.021(5) 0.060(3) -0.3846(12) 0.122(5) Uiso 1.000000 GR
H18c H -0.057(6) -0.083(3) -0.3974(15) 0.122(5) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Dy -0.09334 4.42894 26.50700 17.63830 14.55960 2.96577 2.18020 0.20217 12.18990
111.87400 4.29727983475
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
O7 Dy1 O3 91.15(12) . 2_665
O7 Dy1 O3 74.83(12) . 1_455
O1 Dy1 O3 97.59(12) . 2_665
O1 Dy1 O3 75.54(12) . 1_455
O1 Dy1 O7 143.64(12) . .
O2 Dy1 O3 96.04(11) 2_665 1_455
O2 Dy1 O3 164.80(11) 2_665 2_665
O2 Dy1 O7 81.10(12) 2_665 .
O2 Dy1 O1 81.56(12) 2_665 .
O4 Dy1 O3 69.80(11) . 2_665
O4 Dy1 O3 117.87(12) . 1_455
O4 Dy1 O7 148.59(11) . .
O4 Dy1 O1 66.03(12) . .
O4 Dy1 O2 122.60(11) . 2_665
O5 Dy1 O3 117.54(13) . 2_665
O5 Dy1 O3 146.57(11) . 1_455
O5 Dy1 O7 134.13(12) . .
O5 Dy1 O1 71.14(12) . .
O5 Dy1 O2 76.69(13) . 2_665
O5 Dy1 O4 49.07(13) . .
N3 Dy1 O3 139.96(13) 2_665 1_455
N3 Dy1 O3 126.30(12) 2_665 2_665
N3 Dy1 O7 68.75(13) 2_665 .
N3 Dy1 O1 128.45(12) 2_665 .
N3 Dy1 O2 62.88(12) 2_665 2_665
N3 Dy1 O4 101.98(13) 2_665 .
N3 Dy1 O5 65.43(13) 2_665 .
N4 Dy1 O3 127.46(11) 2_665 1_455
N4 Dy1 O3 65.47(12) 2_665 2_665
N4 Dy1 O7 80.84(13) 2_665 .
N4 Dy1 O1 134.71(13) 2_665 .
N4 Dy1 O2 125.35(13) 2_665 2_665
N4 Dy1 O4 68.68(12) 2_665 .
N4 Dy1 O5 80.22(12) 2_665 .
N4 Dy1 N3 62.49(13) 2_665 2_665
N5 Dy1 O3 93.70(13) . 2_665
N5 Dy1 O3 135.57(13) . 1_455
N5 Dy1 O7 148.55(12) . .
N5 Dy1 O1 66.22(12) . .
N5 Dy1 O2 99.73(13) . 2_665
N5 Dy1 O4 24.52(13) . .
N5 Dy1 O5 24.55(13) . .
N5 Dy1 N3 83.54(14) . 2_665
N5 Dy1 N4 73.09(13) . 2_665
C15 O3 Dy1 117.8(3) . 2_665
C15 O3 Dy1 131.2(3) . 1_655
C17 O7 Dy1 136.2(4) . .
N1 O1 Dy1 133.0(3) . .
C6 O2 Dy1 120.7(3) . 2_665
N5 O4 Dy1 94.4(3) . .
N5 O5 Dy1 100.0(3) . .
N2 N3 Dy1 120.3(3) . 2_665
C7 N3 Dy1 122.0(4) . 2_665
C7 N3 N2 117.7(4) . .
C16 N4 Dy1 115.7(3) . 2_665
C8 N4 Dy1 122.8(3) . 2_665
C8 N4 C16 119.5(4) . .
C6 N2 N3 108.5(4) . .
C5 N1 O1 119.2(4) . .
C1 N1 O1 118.9(4) . .
C1 N1 C5 121.9(4) . .
O4 N5 Dy1 61.1(3) . .
O5 N5 Dy1 55.5(3) . .
O5 N5 O4 116.5(5) . .
O6 N5 Dy1 176.2(5) . .
O6 N5 O4 122.7(6) . .
O6 N5 O5 120.7(5) . .
C19 N6 C17 121.6(6) . .
C18 N6 C17 119.6(6) . .
C18 N6 C19 118.6(6) . .
C16 C15 O3 117.7(5) . .
C14 C15 O3 125.4(5) . .
C14 C15 C16 117.0(5) . .
N6 C17 O7 124.9(5) . .
H17 C17 O7 117.5(3) . .
H17 C17 N6 117.5(3) . .
C5 C4 C6 119.4(4) . .
C3 C4 C6 122.3(4) . .
C3 C4 C5 118.3(5) . .
N2 C6 O2 127.6(5) . .
C4 C6 O2 118.6(4) . .
C4 C6 N2 113.8(4) . .
C15 C16 N4 116.1(4) . .
C11 C16 N4 122.0(4) . .
C11 C16 C15 121.9(5) . .
C7 C8 N4 114.5(4) . .
C9 C8 N4 121.5(5) . .
C9 C8 C7 123.8(5) . .
C8 C7 N3 117.1(5) . .
H7 C7 N3 121.5(3) . .
H7 C7 C8 121.5(3) . .
C4 C5 N1 120.3(5) . .
H5 C5 N1 119.8(3) . .
H5 C5 C4 119.8(3) . .
H1 C1 N1 120.1(3) . .
C2 C1 N1 119.8(5) . .
C2 C1 H1 120.1(3) . .
H3 C3 C4 120.1(3) . .
C2 C3 C4 119.7(5) . .
C2 C3 H3 120.1(3) . .
H9 C9 C8 120.2(3) . .
C10 C9 C8 119.6(5) . .
C10 C9 H9 120.2(3) . .
C3 C2 C1 119.8(5) . .
H2 C2 C1 120.1(3) . .
H2 C2 C3 120.1(3) . .
H10 C10 C9 119.8(3) . .
C11 C10 C9 120.4(5) . .
C11 C10 H10 119.8(3) . .
H14 C14 C15 119.8(3) . .
C13 C14 C15 120.4(5) . .
C13 C14 H14 119.8(3) . .
C10 C11 C16 116.6(5) . .
C12 C11 C16 118.5(5) . .
C12 C11 C10 124.9(5) . .
C21 N7 C20 121.4(6) . .
C22 N7 C20 119.3(6) . .
C22 N7 C21 119.3(6) . .
H13 C13 C14 118.5(3) . .
C12 C13 C14 123.0(5) . .
C12 C13 H13 118.5(3) . .
C13 C12 C11 119.1(5) . .
H12 C12 C11 120.5(3) . .
H12 C12 C13 120.5(3) . .
N7 C20 O8 126.1(6) . .
H20 C20 O8 116.9(4) . .
H20 C20 N7 116.9(4) . .
H21a C21 N7 109.5 . .
H21b C21 N7 109.5 . .
H21b C21 H21a 109.5 . .
H21c C21 N7 109.5 . .
H21c C21 H21a 109.5 . .
H21c C21 H21b 109.5 . .
H22a C22 N7 109.5 . .
H22b C22 N7 109.5 . .
H22b C22 H22a 109.5 . .
H22c C22 N7 109.5 . .
H22c C22 H22a 109.5 . .
H22c C22 H22b 109.5 . .
H19a C19 N6 109.5 . .
H19b C19 N6 109.5 . .
H19b C19 H19a 109.5 . .
H19c C19 N6 109.5 . .
H19c C19 H19a 109.5 . .
H19c C19 H19b 109.5 . .
H18a C18 N6 109.5 . .
H18b C18 N6 109.5 . .
H18b C18 H18a 109.5 . .
H18c C18 N6 109.5 . .
H18c C18 H18a 109.5 . .
H18c C18 H18b 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O3 2.376(3) 1_455
Dy1 O3 2.421(3) 2_665
Dy1 O7 2.379(4) .
Dy1 O1 2.341(3) .
Dy1 O2 2.366(3) 2_665
Dy1 O4 2.644(4) .
Dy1 O5 2.520(4) .
Dy1 N3 2.535(4) 2_665
Dy1 N4 2.485(4) 2_665
Dy1 N5 3.012(5) .
O3 C15 1.334(6) .
O7 C17 1.245(6) .
O1 N1 1.339(5) .
O2 C6 1.278(6) .
O4 N5 1.254(6) .
O5 N5 1.271(6) .
N3 N2 1.377(6) .
N3 C7 1.286(6) .
N4 C16 1.360(6) .
N4 C8 1.338(6) .
N2 C6 1.327(6) .
N1 C5 1.344(7) .
N1 C1 1.356(6) .
N5 O6 1.225(6) .
N6 C17 1.308(7) .
N6 C19 1.447(7) .
N6 C18 1.448(8) .
C15 C16 1.436(7) .
C15 C14 1.389(7) .
C17 H17 0.9300 .
C4 C6 1.489(7) .
C4 C5 1.392(6) .
C4 C3 1.400(7) .
C16 C11 1.414(7) .
C8 C7 1.455(7) .
C8 C9 1.401(7) .
O8 C20 1.223(8) .
C7 H7 0.9300 .
C5 H5 0.9300 .
C1 H1 0.9300 .
C1 C2 1.373(7) .
C3 H3 0.9300 .
C3 C2 1.385(7) .
C9 H9 0.9300 .
C9 C10 1.356(8) .
C2 H2 0.9300 .
C10 H10 0.9300 .
C10 C11 1.417(7) .
C14 H14 0.9300 .
C14 C13 1.406(7) .
C11 C12 1.417(8) .
N7 C20 1.327(9) .
N7 C21 1.462(8) .
N7 C22 1.457(8) .
C13 H13 0.9300 .
C13 C12 1.357(7) .
C12 H12 0.9300 .
C20 H20 0.9300 .
C21 H21a 0.9600 .
C21 H21b 0.9600 .
C21 H21c 0.9600 .
C22 H22a 0.9600 .
C22 H22b 0.9600 .
C22 H22c 0.9600 .
C19 H19a 0.9600 .
C19 H19b 0.9600 .
C19 H19c 0.9600 .
C18 H18a 0.9600 .
C18 H18b 0.9600 .
C18 H18c 0.9600 .
