#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:01:25 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180408 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/77/7207741.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_7207741
loop_
_publ_author_name
'Feng, Xun'
'Li, Shi-Hui'
'Wang, Li-Ya'
'Zhao, Jian-She'
'Shi, Zhi-Qiang'
'Lei, Peng-Peng'
_publ_section_title
;
 A series of lanthanide--organic polymers incorporating
 ethyl-4,5-imidazole-dicarboxylato and formate coligand: structures,
 luminescent and magnetic properties
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3684
_journal_paper_doi               10.1039/c2ce06151a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C29 H37 Dy3 N8 O24'
_chemical_formula_weight         1369.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.1170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.699(3)
_cell_length_b                   9.1979(8)
_cell_length_c                   13.1040(12)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.42
_cell_volume                     4058.9(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      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0189
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17331
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.42
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.567
_exptl_absorpt_correction_T_max  0.4889
_exptl_absorpt_correction_T_min  0.3608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2628
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.781
_refine_diff_density_min         -1.515
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4644
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0249
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0391P)²+21.5407P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0688
_refine_ls_wR_factor_ref         0.0696
_reflns_number_gt                4483
_reflns_number_total             4644
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06151a.txt
_cod_data_source_block           Dy
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7207741
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.611806(5) 0.074016(18) 0.120829(12) 0.01431(6) Uani 1 1 d . . .
Dy2 Dy 0.5000 0.62527(3) 0.2500 0.01813(7) Uani 1 2 d S . .
O1 O 0.57234(9) 0.2366(3) 0.2153(2) 0.0274(6) Uani 1 1 d . . .
O2 O 0.54826(10) 0.4516(3) 0.2553(2) 0.0354(8) Uani 1 1 d . . .
O3 O 0.55255(9) 0.7345(3) 0.1595(3) 0.0316(7) Uani 1 1 d . . .
O4 O 0.60494(9) 0.8251(3) 0.0813(2) 0.0271(6) Uani 1 1 d . . .
O5 O 0.7300(3) 0.1056(14) 0.5661(6) 0.059(3) Uani 0.74(2) 1 d P A 1
O5B O 0.7170(8) 0.177(4) 0.5811(18) 0.059(3) Uani 0.26(2) 1 d P A 2
O6 O 0.67470(9) -0.0177(4) 0.5786(2) 0.0317(7) Uani 1 1 d . . .
O7 O 0.60867(9) -0.0717(3) 0.4439(2) 0.0238(6) Uani 1 1 d . . .
O8 O 0.60085(9) -0.0395(3) 0.2776(2) 0.0228(6) Uani 1 1 d . . .
O9 O 0.54278(10) 0.0389(4) 0.0710(4) 0.0521(11) Uani 1 1 d . . .
H9A H 0.5256 0.0318 0.1133 0.078 Uiso 0.50 1 d PR B 1
H9B H 0.5361 -0.0236 0.0293 0.078 Uiso 0.50 1 d PR B 1
H9C H 0.5382 -0.0367 0.1012 0.078 Uiso 0.50 1 d PR B 2
H9D H 0.5247 0.0971 0.0778 0.078 Uiso 0.50 1 d PR B 2
O10 O 0.46753(11) 0.8130(4) 0.1537(3) 0.0447(9) Uani 1 1 d . . .
H10A H 0.4501 0.8560 0.1834 0.067 Uiso 1 1 d R . .
H10B H 0.4618 0.8086 0.0925 0.067 Uiso 1 1 d R . .
O11 O 0.52636(13) 0.1778(6) 0.3957(4) 0.0711(14) Uani 1 1 d . . .
H11A H 0.5434 0.2126 0.3601 0.107 Uiso 1 1 d R . .
H11B H 0.5079 0.1487 0.3585 0.107 Uiso 0.50 1 d PR C 1
H11C H 0.5138 0.2434 0.4217 0.107 Uiso 0.50 1 d PR D 2
O12 O 0.5033(3) 0.5055(9) 0.4165(7) 0.0295(18) Uani 0.50 1 d PU . .
O12' O 0.4936(3) 0.4291(10) 0.5739(8) 0.037(2) Uani 0.50 1 d PU . .
C15 C 0.4979(5) 0.5272(14) 0.5095(12) 0.034(3) Uani 0.50 1 d PU . .
H15A H 0.4992 0.6258 0.5329 0.041 Uiso 0.50 1 d PR . .
N1 N 0.61733(10) 0.3394(3) 0.0673(2) 0.0192(6) Uani 1 1 d . . .
N2 N 0.62669(11) 0.5615(4) 0.0124(3) 0.0267(8) Uani 1 1 d . . .
H2A H 0.6362 0.6328 -0.0213 0.032 Uiso 1 1 calc R . .
N3 N 0.65849(10) 0.1612(4) 0.2681(2) 0.0227(7) Uani 1 1 d . . .
N4 N 0.70671(11) 0.2190(5) 0.3779(3) 0.0333(9) Uani 1 1 d . . .
H4A H 0.7278 0.2602 0.4031 0.040 Uiso 1 1 calc R . .
C1 C 0.59335(12) 0.4345(4) 0.1199(3) 0.0193(7) Uani 1 1 d . . .
C2 C 0.59858(12) 0.5731(4) 0.0855(3) 0.0216(8) Uani 1 1 d . . .
C3 C 0.63703(13) 0.4190(4) 0.0020(3) 0.0248(8) Uani 1 1 d . . .
C4 C 0.56914(12) 0.3713(4) 0.2020(3) 0.0215(8) Uani 1 1 d . . .
C5 C 0.58395(12) 0.7207(4) 0.1117(3) 0.0206(7) Uani 1 1 d . . .
C6 C 0.66571(14) 0.3669(5) -0.0733(3) 0.0315(9) Uani 1 1 d . . .
H6A H 0.6727 0.2666 -0.0586 0.038 Uiso 1 1 calc R . .
H6B H 0.6898 0.4246 -0.0674 0.038 Uiso 1 1 calc R . .
C7 C 0.64806(18) 0.3782(7) -0.1819(4) 0.0454(13) Uani 1 1 d . . .
H7A H 0.6233 0.3269 -0.1865 0.068 Uiso 1 1 calc R . .
H7B H 0.6661 0.3362 -0.2286 0.068 Uiso 1 1 calc R . .
H7C H 0.6437 0.4786 -0.1990 0.068 Uiso 1 1 calc R . .
C8 C 0.68337(12) 0.1221(5) 0.4283(3) 0.0258(8) Uani 1 1 d . A .
C9 C 0.65305(11) 0.0879(4) 0.3586(3) 0.0197(7) Uani 1 1 d . . .
C10 C 0.69132(13) 0.2391(5) 0.2827(3) 0.0293(9) Uani 1 1 d . . .
C11 C 0.69603(15) 0.0710(6) 0.5341(4) 0.0383(12) Uani 1 1 d . . .
C12 C 0.61895(11) -0.0135(4) 0.3625(3) 0.0172(7) Uani 1 1 d . . .
C13 C 0.70990(15) 0.3376(7) 0.2067(4) 0.0445(13) Uani 1 1 d . . .
H13A H 0.6915 0.3505 0.1488 0.053 Uiso 1 1 calc R . .
H13B H 0.7143 0.4321 0.2379 0.053 Uiso 1 1 calc R . .
C14 C 0.7477(2) 0.2829(10) 0.1700(7) 0.085(3) Uani 1 1 d . . .
H14A H 0.7679 0.2911 0.2234 0.102 Uiso 1 1 calc R . .
H14B H 0.7553 0.3390 0.1121 0.102 Uiso 1 1 calc R . .
H14C H 0.7448 0.1827 0.1505 0.102 Uiso 1 1 calc 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'
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
O6 Dy1 O7 76.26(10) 6 6
O6 Dy1 O8 106.88(11) 6 .
O7 Dy1 O8 150.38(10) 6 .
O6 Dy1 O4 79.03(11) 6 1_545
O7 Dy1 O4 76.75(10) 6 1_545
O8 Dy1 O4 75.07(10) . 1_545
O6 Dy1 O1 144.63(11) 6 .
O7 Dy1 O1 121.38(10) 6 .
O8 Dy1 O1 73.45(10) . .
O4 Dy1 O1 132.27(10) 1_545 .
O6 Dy1 O9 143.36(12) 6 .
O7 Dy1 O9 73.76(13) 6 .
O8 Dy1 O9 89.77(14) . .
O4 Dy1 O9 74.04(12) 1_545 .
O1 Dy1 O9 70.91(12) . .
O6 Dy1 N1 94.20(12) 6 .
O7 Dy1 N1 74.61(10) 6 .
O8 Dy1 N1 133.07(10) . .
O4 Dy1 N1 151.36(10) 1_545 .
O1 Dy1 N1 65.74(10) . .
O9 Dy1 N1 97.65(13) . .
O6 Dy1 N3 72.76(11) 6 .
O7 Dy1 N3 139.24(10) 6 .
O8 Dy1 N3 66.02(10) . .
O4 Dy1 N3 121.33(11) 1_545 .
O1 Dy1 N3 75.63(11) . .
O9 Dy1 N3 143.21(13) . .
N1 Dy1 N3 81.88(11) . .
O2 Dy2 O2 90.99(19) 2_655 .
O2 Dy2 O12' 85.5(3) 2_655 5_666
O2 Dy2 O12' 77.5(3) . 5_666
O2 Dy2 O12' 77.5(3) 2_655 6_565
O2 Dy2 O12' 85.5(3) . 6_565
O12' Dy2 O12' 155.6(4) 5_666 6_565
O2 Dy2 O10 146.93(11) 2_655 2_655
O2 Dy2 O10 100.29(14) . 2_655
O12' Dy2 O10 67.2(3) 5_666 2_655
O12' Dy2 O10 134.0(2) 6_565 2_655
O2 Dy2 O10 100.29(14) 2_655 .
O2 Dy2 O10 146.93(11) . .
O12' Dy2 O10 134.0(2) 5_666 .
O12' Dy2 O10 67.2(3) 6_565 .
O10 Dy2 O10 87.0(2) 2_655 .
O2 Dy2 O3 76.62(11) 2_655 2_655
O2 Dy2 O3 145.15(11) . 2_655
O12' Dy2 O3 69.3(3) 5_666 2_655
O12' Dy2 O3 122.1(3) 6_565 2_655
O10 Dy2 O3 76.49(12) 2_655 2_655
O10 Dy2 O3 67.90(11) . 2_655
O2 Dy2 O3 145.15(11) 2_655 .
O2 Dy2 O3 76.62(11) . .
O12' Dy2 O3 122.1(3) 5_666 .
O12' Dy2 O3 69.3(3) 6_565 .
O10 Dy2 O3 67.90(11) 2_655 .
O10 Dy2 O3 76.49(12) . .
O3 Dy2 O3 130.28(14) 2_655 .
O2 Dy2 O12 69.4(2) 2_655 2_655
O2 Dy2 O12 73.7(2) . 2_655
O12' Dy2 O12 140.9(4) 5_666 2_655
O12' Dy2 O12 14.8(2) 6_565 2_655
O10 Dy2 O12 143.6(2) 2_655 2_655
O10 Dy2 O12 81.3(2) . 2_655
O3 Dy2 O12 128.6(3) 2_655 2_655
O3 Dy2 O12 75.9(2) . 2_655
O2 Dy2 O12 73.7(2) 2_655 .
O2 Dy2 O12 69.4(2) . .
O12' Dy2 O12 14.8(2) 5_666 .
O12' Dy2 O12 140.9(4) 6_565 .
O10 Dy2 O12 81.3(2) 2_655 .
O10 Dy2 O12 143.6(2) . .
O3 Dy2 O12 75.9(2) 2_655 .
O3 Dy2 O12 128.6(3) . .
O12 Dy2 O12 126.4(4) 2_655 .
C4 O1 Dy1 126.5(3) . .
C4 O2 Dy2 144.3(3) . .
C5 O3 Dy2 149.2(3) . .
C5 O4 Dy1 136.0(2) . 1_565
C11 O6 Dy1 145.4(3) . 6_556
C12 O7 Dy1 148.3(2) . 6_556
C12 O8 Dy1 126.6(2) . .
Dy1 O9 H9A 121.7 . .
Dy1 O9 H9B 120.7 . .
H9A O9 H9B 102.3 . .
Dy1 O9 H9C 100.4 . .
H9A O9 H9C 56.8 . .
H9B O9 H9C 70.9 . .
Dy1 O9 H9D 126.7 . .
H9A O9 H9D 55.3 . .
H9B O9 H9D 110.2 . .
H9C O9 H9D 110.4 . .
Dy2 O10 H10A 114.9 . .
Dy2 O10 H10B 124.8 . .
H10A O10 H10B 110.0 . .
H11A O11 H11B 108.7 . .
H11A O11 H11C 109.5 . .
H11B O11 H11C 95.5 . .
O12' O12 C15 96(2) 5_666 5_666
O12' O12 C15 71.3(17) 5_666 .
C15 O12 C15 27.0(12) 5_666 .
O12' O12 Dy2 75.3(17) 5_666 .
C15 O12 Dy2 169.2(9) 5_666 .
C15 O12 Dy2 142.4(9) . .
O12 O12' C15 79.5(17) 5_666 5_666
O12 O12' C15 54.2(15) 5_666 .
C15 O12' C15 27.2(8) 5_666 .
O12 O12' Dy2 89.9(18) 5_666 5_666
C15 O12' Dy2 159.6(11) 5_666 5_666
C15 O12' Dy2 143.6(9) . 5_666
C15 C15 O12 100(4) 5_666 5_666
C15 C15 O12' 80(3) 5_666 5_666
O12 C15 O12' 168(2) 5_666 5_666
C15 C15 O12' 73(3) 5_666 .
O12 C15 O12' 29.8(8) 5_666 .
O12' C15 O12' 152.8(8) 5_666 .
C15 C15 O12 53(3) 5_666 .
O12 C15 O12 153.0(12) 5_666 .
O12' C15 O12 29.3(5) 5_666 .
O12' C15 O12 124.5(9) . .
C15 C15 H15A 161.6 5_666 .
O12 C15 H15A 88.7 5_666 .
O12' C15 H15A 88.0 5_666 .
O12' C15 H15A 118.2 . .
O12 C15 H15A 117.1 . .
C3 N1 C1 106.6(3) . .
C3 N1 Dy1 138.7(3) . .
C1 N1 Dy1 114.6(2) . .
C3 N2 C2 109.2(3) . .
C3 N2 H2A 125.4 . .
C2 N2 H2A 125.4 . .
C10 N3 C9 106.0(3) . .
C10 N3 Dy1 139.5(3) . .
C9 N3 Dy1 113.2(2) . .
C10 N4 C8 109.1(3) . .
C10 N4 H4A 125.5 . .
C8 N4 H4A 125.5 . .
C2 C1 N1 109.8(3) . .
C2 C1 C4 133.0(3) . .
N1 C1 C4 117.1(3) . .
C1 C2 N2 105.0(3) . .
C1 C2 C5 136.6(4) . .
N2 C2 C5 118.3(3) . .
N1 C3 N2 109.3(4) . .
N1 C3 C6 127.2(4) . .
N2 C3 C6 123.5(4) . .
O2 C4 O1 123.5(4) . .
O2 C4 C1 120.4(4) . .
O1 C4 C1 116.0(3) . .
O3 C5 O4 124.8(4) . .
O3 C5 C2 119.9(4) . .
O4 C5 C2 115.2(3) . .
C3 C6 C7 110.9(4) . .
C3 C6 H6A 109.5 . .
C7 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 108.0 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N4 C8 C9 104.6(3) . .
N4 C8 C11 119.7(4) . .
C9 C8 C11 135.4(4) . .
C8 C9 N3 109.7(3) . .
C8 C9 C12 132.5(4) . .
N3 C9 C12 117.7(3) . .
N3 C10 N4 110.5(4) . .
N3 C10 C13 126.6(4) . .
N4 C10 C13 122.8(4) . .
O6 C11 O5 123.3(5) . .
O6 C11 O5B 124.4(11) . .
O5 C11 O5B 36.6(11) . .
O6 C11 C8 119.0(4) . .
O5 C11 C8 117.0(5) . .
O5B C11 C8 108.8(10) . .
O7 C12 O8 121.7(3) . .
O7 C12 C9 122.5(3) . .
O8 C12 C9 115.8(3) . .
C14 C13 C10 113.5(5) . .
C14 C13 H13A 108.9 . .
C10 C13 H13A 108.9 . .
C14 C13 H13B 108.9 . .
C10 C13 H13B 108.9 . .
H13A C13 H13B 107.7 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O6 2.270(3) 6
Dy1 O7 2.318(3) 6
Dy1 O8 2.346(3) .
Dy1 O4 2.357(3) 1_545
Dy1 O1 2.378(3) .
Dy1 O9 2.414(3) .
Dy1 N1 2.548(3) .
Dy1 N3 2.573(3) .
Dy2 O2 2.279(3) 2_655
Dy2 O2 2.279(3) .
Dy2 O12' 2.363(11) 5_666
Dy2 O12' 2.363(11) 6_565
Dy2 O10 2.382(3) 2_655
Dy2 O10 2.382(3) .
Dy2 O3 2.389(3) 2_655
Dy2 O3 2.389(3) .
Dy2 O12 2.443(9) 2_655
Dy2 O12 2.443(9) .
O1 C4 1.256(5) .
O2 C4 1.251(5) .
O3 C5 1.255(5) .
O4 C5 1.265(5) .
O4 Dy1 2.357(3) 1_565
O5 C11 1.246(8) .
O5B C11 1.34(2) .
O6 C11 1.246(6) .
O6 Dy1 2.270(3) 6_556
O7 C12 1.253(4) .
O7 Dy1 2.318(3) 6_556
O8 C12 1.272(4) .
O9 H9A 0.8183 .
O9 H9B 0.8187 .
O9 H9C 0.8181 .
O9 H9D 0.8191 .
O10 H10A 0.8185 .
O10 H10B 0.8188 .
O11 H11A 0.8187 .
O11 H11B 0.8201 .
O11 H11C 0.8184 .
O12 O12' 0.623(9) 5_666
O12 C15 1.017(18) 5_666
O12 C15 1.254(19) .
O12' O12 0.623(9) 5_666
O12' C15 1.208(19) 5_666
O12' C15 1.25(2) .
O12' Dy2 2.363(11) 5_666
C15 C15 0.578(16) 5_666
C15 O12 1.017(18) 5_666
C15 O12' 1.208(19) 5_666
C15 H15A 0.9579 .
N1 C3 1.324(5) .
N1 C1 1.391(5) .
N2 C3 1.364(5) .
N2 C2 1.375(5) .
N2 H2A 0.8600 .
N3 C10 1.326(5) .
N3 C9 1.383(5) .
N4 C10 1.345(5) .
N4 C8 1.374(5) .
N4 H4A 0.8600 .
C1 C2 1.366(5) .
C1 C4 1.492(5) .
C2 C5 1.489(5) .
C3 C6 1.486(6) .
C6 C7 1.526(7) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.381(5) .
C8 C11 1.511(6) .
C9 C12 1.482(5) .
C10 C13 1.500(6) .
C13 C14 1.468(9) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H9B O11 0.82 2.27 3.077(6) 169.4 6
O9 H9D O11 0.82 1.92 2.707(5) 161.8 2_655
O9 H9C O3 0.82 2.28 3.044(5) 154.7 1_545
O9 H9D O11 0.82 1.92 2.707(5) 161.8 2_655
O10 H10A O8 0.82 2.05 2.848(4) 165.4 2_665
O10 H10B O9 0.82 2.56 3.251(6) 142.9 5_665
O11 H11A O1 0.82 2.18 2.925(5) 152.0 .
O11 H11A O2 0.82 2.60 3.220(5) 133.6 .
O11 H11B O9 0.82 2.22 2.707(5) 118.7 2_655
O11 H11C O12 0.82 2.44 3.127(10) 142.6 .
N4 H4A O5B 0.86 1.95 2.78(2) 160.3 7_656
N4 H4A O5 0.86 1.92 2.752(7) 164.0 7_656
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
_geom_torsion_site_symmetry_4
O6 Dy1 O1 C4 62.1(4) 6 .
O7 Dy1 O1 C4 -50.1(4) 6 .
O8 Dy1 O1 C4 158.1(4) . .
O4 Dy1 O1 C4 -151.2(3) 1_545 .
O9 Dy1 O1 C4 -106.2(4) . .
N1 Dy1 O1 C4 1.9(3) . .
N3 Dy1 O1 C4 89.3(4) . .
O2 Dy2 O2 C4 87.1(5) 2_655 .
O12' Dy2 O2 C4 172.2(6) 5_666 .
O12' Dy2 O2 C4 9.8(6) 6_565 .
O10 Dy2 O2 C4 -124.2(5) 2_655 .
O10 Dy2 O2 C4 -23.6(7) . .
O3 Dy2 O2 C4 154.8(5) 2_655 .
O3 Dy2 O2 C4 -60.0(5) . .
O12 Dy2 O2 C4 18.9(6) 2_655 .
O12 Dy2 O2 C4 159.3(6) . .
O2 Dy2 O3 C5 -52.7(7) 2_655 .
O2 Dy2 O3 C5 19.2(6) . .
O12' Dy2 O3 C5 84.8(6) 5_666 .
O12' Dy2 O3 C5 -71.0(6) 6_565 .
O10 Dy2 O3 C5 126.3(6) 2_655 .
O10 Dy2 O3 C5 -141.4(6) . .
O3 Dy2 O3 C5 173.9(6) 2_655 .
O12 Dy2 O3 C5 -57.1(6) 2_655 .
O12 Dy2 O3 C5 68.5(6) . .
O6 Dy1 O8 C12 63.8(3) 6 .
O7 Dy1 O8 C12 155.6(3) 6 .
O4 Dy1 O8 C12 137.2(3) 1_545 .
O1 Dy1 O8 C12 -79.2(3) . .
O9 Dy1 O8 C12 -149.3(3) . .
N1 Dy1 O8 C12 -49.0(4) . .
N3 Dy1 O8 C12 2.1(3) . .
O2 Dy2 O12 O12' -141.5(18) 2_655 5_666
O2 Dy2 O12 O12' 121.0(18) . 5_666
O12' Dy2 O12 O12' 174.4(11) 6_565 5_666
O10 Dy2 O12 O12' 16.5(18) 2_655 5_666
O10 Dy2 O12 O12' -56(2) . 5_666
O3 Dy2 O12 O12' -61.6(18) 2_655 5_666
O3 Dy2 O12 O12' 69.1(18) . 5_666
O12 Dy2 O12 O12' 170.6(19) 2_655 5_666
O2 Dy2 O12 C15 -104(7) 2_655 5_666
O2 Dy2 O12 C15 158(7) . 5_666
O12' Dy2 O12 C15 37(6) 5_666 5_666
O12' Dy2 O12 C15 -148(7) 6_565 5_666
O10 Dy2 O12 C15 54(7) 2_655 5_666
O10 Dy2 O12 C15 -19(7) . 5_666
O3 Dy2 O12 C15 -24(7) 2_655 5_666
O3 Dy2 O12 C15 106(7) . 5_666
O12 Dy2 O12 C15 -152(7) 2_655 5_666
O2 Dy2 O12 C15 -113.8(18) 2_655 .
O2 Dy2 O12 C15 148.8(18) . .
O12' Dy2 O12 C15 27.8(17) 5_666 .
O12' Dy2 O12 C15 -157.9(16) 6_565 .
O10 Dy2 O12 C15 44.3(18) 2_655 .
O10 Dy2 O12 C15 -28(2) . .
O3 Dy2 O12 C15 -33.8(18) 2_655 .
O3 Dy2 O12 C15 96.8(18) . .
O12 Dy2 O12 C15 -161.7(19) 2_655 .
O12 O12' C15 C15 156(4) 5_666 5_666
Dy2 O12' C15 C15 145(3) 5_666 5_666
C15 O12' C15 O12 -156(4) 5_666 5_666
Dy2 O12' C15 O12 -11.1(18) 5_666 5_666
O12 O12' C15 O12' 156(4) 5_666 5_666
C15 O12' C15 O12' 0.000(13) 5_666 5_666
Dy2 O12' C15 O12' 145(3) 5_666 5_666
O12 O12' C15 O12 167(2) 5_666 .
C15 O12' C15 O12 12(2) 5_666 .
Dy2 O12' C15 O12 156.4(9) 5_666 .
O12' O12 C15 C15 -155(4) 5_666 5_666
Dy2 O12 C15 C15 176(3) . 5_666
O12' O12 C15 O12 -155(4) 5_666 5_666
C15 O12 C15 O12 0.000(13) 5_666 5_666
Dy2 O12 C15 O12 176(3) . 5_666
C15 O12 C15 O12' 155(4) 5_666 5_666
Dy2 O12 C15 O12' -28.4(17) . 5_666
O12' O12 C15 O12' -169.3(19) 5_666 .
C15 O12 C15 O12' -14(3) 5_666 .
Dy2 O12 C15 O12' 162.3(8) . .
O6 Dy1 N1 C3 27.9(4) 6 .
O7 Dy1 N1 C3 -46.6(4) 6 .
O8 Dy1 N1 C3 145.8(4) . .
O4 Dy1 N1 C3 -46.8(5) 1_545 .
O1 Dy1 N1 C3 177.7(5) . .
O9 Dy1 N1 C3 -117.3(4) . .
N3 Dy1 N1 C3 99.8(4) . .
O6 Dy1 N1 C1 -151.8(3) 6 .
O7 Dy1 N1 C1 133.7(3) 6 .
O8 Dy1 N1 C1 -33.9(3) . .
O4 Dy1 N1 C1 133.5(3) 1_545 .
O1 Dy1 N1 C1 -2.0(3) . .
O9 Dy1 N1 C1 63.0(3) . .
N3 Dy1 N1 C1 -79.9(3) . .
O6 Dy1 N3 C10 50.1(5) 6 .
O7 Dy1 N3 C10 8.0(5) 6 .
O8 Dy1 N3 C10 168.2(5) . .
O4 Dy1 N3 C10 115.2(5) 1_545 .
O1 Dy1 N3 C10 -113.8(5) . .
O9 Dy1 N3 C10 -138.8(4) . .
N1 Dy1 N3 C10 -46.8(5) . .
O6 Dy1 N3 C9 -114.9(3) 6 .
O7 Dy1 N3 C9 -157.1(2) 6 .
O8 Dy1 N3 C9 3.2(3) . .
O4 Dy1 N3 C9 -49.9(3) 1_545 .
O1 Dy1 N3 C9 81.2(3) . .
O9 Dy1 N3 C9 56.2(4) . .
N1 Dy1 N3 C9 148.1(3) . .
C3 N1 C1 C2 0.2(5) . .
Dy1 N1 C1 C2 180.0(3) . .
C3 N1 C1 C4 -177.5(4) . .
Dy1 N1 C1 C4 2.3(4) . .
N1 C1 C2 N2 -1.1(5) . .
C4 C1 C2 N2 176.1(4) . .
N1 C1 C2 C5 -176.5(5) . .
C4 C1 C2 C5 0.7(9) . .
C3 N2 C2 C1 1.6(5) . .
C3 N2 C2 C5 178.0(4) . .
C1 N1 C3 N2 0.8(5) . .
Dy1 N1 C3 N2 -178.9(3) . .
C1 N1 C3 C6 -178.4(4) . .
Dy1 N1 C3 C6 1.9(7) . .
C2 N2 C3 N1 -1.5(5) . .
C2 N2 C3 C6 177.7(4) . .
Dy2 O2 C4 O1 -128.8(5) . .
Dy2 O2 C4 C1 53.7(7) . .
Dy1 O1 C4 O2 -178.9(3) . .
Dy1 O1 C4 C1 -1.3(5) . .
C2 C1 C4 O2 -0.2(7) . .
N1 C1 C4 O2 176.8(4) . .
C2 C1 C4 O1 -177.9(5) . .
N1 C1 C4 O1 -0.8(6) . .
Dy2 O3 C5 O4 -173.5(4) . .
Dy2 O3 C5 C2 7.5(8) . .
Dy1 O4 C5 O3 18.4(7) 1_565 .
Dy1 O4 C5 C2 -162.6(3) 1_565 .
C1 C2 C5 O3 -21.2(8) . .
N2 C2 C5 O3 163.9(4) . .
C1 C2 C5 O4 159.8(5) . .
N2 C2 C5 O4 -15.2(6) . .
N1 C3 C6 C7 108.6(5) . .
N2 C3 C6 C7 -70.5(6) . .
C10 N4 C8 C9 -1.0(5) . .
C10 N4 C8 C11 175.0(5) . .
N4 C8 C9 N3 0.8(5) . .
C11 C8 C9 N3 -174.1(5) . .
N4 C8 C9 C12 177.4(4) . .
C11 C8 C9 C12 2.4(9) . .
C10 N3 C9 C8 -0.4(5) . .
Dy1 N3 C9 C8 169.6(3) . .
C10 N3 C9 C12 -177.5(4) . .
Dy1 N3 C9 C12 -7.6(4) . .
C9 N3 C10 N4 -0.2(5) . .
Dy1 N3 C10 N4 -165.9(3) . .
C9 N3 C10 C13 179.9(5) . .
Dy1 N3 C10 C13 14.2(8) . .
C8 N4 C10 N3 0.8(6) . .
C8 N4 C10 C13 -179.3(5) . .
Dy1 O6 C11 O5 143.0(9) 6_556 .
Dy1 O6 C11 O5B 98.7(19) 6_556 .
Dy1 O6 C11 C8 -46.9(9) 6_556 .
N4 C8 C11 O6 -179.5(5) . .
C9 C8 C11 O6 -5.1(9) . .
N4 C8 C11 O5 -8.8(11) . .
C9 C8 C11 O5 165.6(9) . .
N4 C8 C11 O5B 30.0(17) . .
C9 C8 C11 O5B -155.6(17) . .
Dy1 O7 C12 O8 -164.1(3) 6_556 .
Dy1 O7 C12 C9 16.7(7) 6_556 .
Dy1 O8 C12 O7 174.0(3) . .
Dy1 O8 C12 C9 -6.8(5) . .
C8 C9 C12 O7 12.4(7) . .
N3 C9 C12 O7 -171.3(4) . .
C8 C9 C12 O8 -166.9(4) . .
N3 C9 C12 O8 9.5(5) . .
N3 C10 C13 C14 -110.6(7) . .
N4 C10 C13 C14 69.5(8) . .
