#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/95/2229530.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2229530
loop_
_publ_author_name
'Xu, Lili'
'Li, Hong-Feng'
'Chen, Peng'
'Yan, Peng-Fei'
_publ_section_title
;
 {μ-6,6'-Dimethoxy-2,2-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}trinitratocopper(II)dysprosium(III)
 methanol monosolvate
;
_journal_coeditor_code           VM2074
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m367
_journal_paper_doi               10.1107/S1600536811005253
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu Dy (C19 H20 N2 O4) (N O3)3], C H4 O'
_chemical_formula_moiety         'C19 H20 Cu Dy N5 O13, C H4 O'
_chemical_formula_sum            'C20 H24 Cu Dy N5 O14'
_chemical_formula_weight         784.49
_chemical_name_systematic
;
{μ-6,6'-Dimethoxy-2,2-[propane-1,3-
diylbis(nitrilomethanylylidene)]diphenolate}trinitratocopper(II)dysprosium(III)
methanol monosolvate
;
_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
_cell_angle_alpha                91.64(3)
_cell_angle_beta                 106.85(3)
_cell_angle_gamma                99.52(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3572(17)
_cell_length_b                   12.130(2)
_cell_length_c                   13.891(3)
_cell_measurement_reflns_used    11901
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.92
_cell_measurement_theta_min      6.15
_cell_volume                     1324.8(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       ω
_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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13040
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.680
_exptl_absorpt_correction_T_max  0.667
_exptl_absorpt_correction_T_min  0.595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.372
_refine_diff_density_min         -0.878
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6008
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0390
_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)+(0.0635P)²+1.7058P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                5600
_reflns_number_total             6008
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2074.cif
_cod_data_source_block           I
_cod_original_cell_volume        1324.8(4)
_cod_database_code               2229530
_cod_database_fobs_code          2229530
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy Dy1 0.37849(2) 0.787569(14) 0.221621(13) 0.03841(9) Uani d . 1 . .
Cu Cu1 0.31877(7) 0.49734(4) 0.17449(4) 0.03874(13) Uani d . 1 . .
O O1 -0.0835(6) 0.8890(5) 0.1545(6) 0.110(2) Uani d . 1 . .
O O2 0.6579(5) 0.7776(3) 0.3469(3) 0.0593(9) Uani d . 1 . .
O O3 0.0638(5) 0.7570(3) 0.1705(3) 0.0595(9) Uani d . 1 . .
O O4 0.5635(5) 0.9497(3) 0.1845(3) 0.0552(8) Uani d . 1 . .
O O5 0.1903(5) 0.9285(3) 0.2077(3) 0.0569(8) Uani d . 1 . .
O O6 0.8516(6) 0.6889(5) 0.3236(4) 0.0776(13) Uani d . 1 . .
O O7 0.6210(5) 0.6967(3) 0.2017(3) 0.0556(8) Uani d . 1 . .
O O8 0.5279(5) 0.9712(3) 0.3301(3) 0.0610(9) Uani d . 1 . .
O O9 0.2663(5) 0.8246(3) 0.0324(2) 0.0473(7) Uani d . 1 . .
O O10 0.6882(6) 1.1015(3) 0.2812(4) 0.0751(12) Uani d . 1 . .
O O11 0.3043(4) 0.7795(2) 0.3860(2) 0.0434(7) Uani d . 1 . .
O O12 0.3359(4) 0.6077(2) 0.2818(2) 0.0394(6) Uani d . 1 . .
O O13 0.2861(4) 0.6277(2) 0.0987(2) 0.0436(7) Uani d . 1 . .
N N1 0.7158(6) 0.7207(4) 0.2913(3) 0.0514(9) Uani d . 1 . .
N N2 0.5956(5) 1.0105(3) 0.2662(3) 0.0471(9) Uani d . 1 . .
N N3 0.3609(5) 0.3818(3) 0.2707(3) 0.0459(8) Uani d . 1 . .
N N4 0.2908(6) 0.4019(3) 0.0522(3) 0.0547(10) Uani d . 1 . .
N N5 0.0505(6) 0.8594(4) 0.1763(4) 0.0601(11) Uani d . 1 . .
C C1 0.0878(7) 0.6441(5) -0.2067(3) 0.0605(14) Uani d . 1 . .
H H1A 0.0384 0.6485 -0.2754 0.073 Uiso calc R 1 . .
C C2 0.4169(9) 0.2780(5) 0.2452(5) 0.0690(16) Uani d . 1 . .
H H2A 0.5396 0.2931 0.2605 0.083 Uiso calc R 1 . .
H H2B 0.3880 0.2210 0.2880 0.083 Uiso calc R 1 . .
C C3 0.3479(13) 0.2916(5) 0.0603(5) 0.094(3) Uani d . 1 . .
H H3A 0.2784 0.2431 0.0013 0.113 Uiso calc R 1 . .
H H3B 0.4638 0.3036 0.0569 0.113 Uiso calc R 1 . .
C C4 0.2237(5) 0.6294(3) -0.0002(3) 0.0351(8) Uani d . 1 . .
C C5 0.2281(7) 0.5542(5) 0.5486(3) 0.0544(12) Uani d . 1 . .
H H5A 0.1989 0.5424 0.6076 0.065 Uiso calc R 1 . .
C C6 0.3444(16) 0.2349(7) 0.1431(6) 0.125(4) Uani d . 1 . .
H H6A 0.3942 0.1694 0.1365 0.150 Uiso calc R 1 . .
H H6B 0.2252 0.2072 0.1351 0.150 Uiso calc R 1 . .
C C7 0.1365(6) 0.7421(4) -0.1414(3) 0.0492(10) Uani d . 1 . .
H H7A 0.1231 0.8114 -0.1664 0.059 Uiso calc R 1 . .
C C8 0.2574(6) 0.4665(4) 0.4969(3) 0.0498(11) Uani d . 1 . .
H H8A 0.2518 0.3962 0.5220 0.060 Uiso calc R 1 . .
C C9 0.2411(6) 0.6609(4) 0.5148(3) 0.0491(10) Uani d . 1 . .
H H9A 0.2222 0.7204 0.5512 0.059 Uiso calc R 1 . .
C C10 0.3379(6) 0.3874(4) 0.3574(4) 0.0466(10) Uani d . 1 . .
H H10A 0.3491 0.3243 0.3936 0.056 Uiso calc R 1 . .
C C11 0.2961(5) 0.4819(4) 0.4057(3) 0.0395(8) Uani d . 1 . .
C C12 0.2829(5) 0.6775(4) 0.4259(3) 0.0380(8) Uani d . 1 . .
C C13 0.2253(7) 0.4274(4) -0.0364(4) 0.0516(11) Uani d . 1 . .
H H13A 0.2029 0.3709 -0.0877 0.062 Uiso calc R 1 . .
C C14 0.2046(5) 0.7339(4) -0.0394(3) 0.0389(8) Uani d . 1 . .
C C15 0.1806(5) 0.5350(4) -0.0678(3) 0.0415(9) Uani d . 1 . .
C C16 0.3044(5) 0.5882(3) 0.3686(3) 0.0356(8) Uani d . 1 . .
C C17 0.1112(7) 0.5446(5) -0.1721(3) 0.0543(12) Uani d . 1 . .
H H17A 0.0815 0.4811 -0.2171 0.065 Uiso calc R 1 . .
C C18 0.2464(9) 0.9328(4) -0.0057(4) 0.0643(15) Uani d . 1 . .
H H18A 0.1317 0.9291 -0.0477 0.097 Uiso calc R 1 . .
H H18B 0.3234 0.9528 -0.0446 0.097 Uiso calc R 1 . .
H H18C 0.2709 0.9882 0.0498 0.097 Uiso calc R 1 . .
C C19 0.2824(9) 0.8746(4) 0.4419(5) 0.0668(16) Uani d . 1 . .
H H19A 0.1704 0.8615 0.4495 0.100 Uiso calc R 1 . .
H H19B 0.2966 0.9404 0.4062 0.100 Uiso calc R 1 . .
H H19C 0.3655 0.8854 0.5073 0.100 Uiso calc R 1 . .
O O1M 0.2556(10) 0.1421(5) 0.4462(5) 0.115(2) Uani d . 1 . .
H H4M 0.3167 0.1636 0.5099 0.172 Uiso d R 1 . .
C C1M 0.0847(11) 0.1206(7) 0.4006(7) 0.105(3) Uani d . 1 . .
H H1M 0.0625 0.1120 0.3287 0.157 Uiso calc R 1 . .
H H2M 0.0358 0.1818 0.4177 0.157 Uiso calc R 1 . .
H H3M 0.0353 0.0528 0.4231 0.157 Uiso calc R 1 . .
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'
Cu Cu 0.3201 1.2651 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O12 Dy1 O13 . . 62.51(10) ?
O12 Dy1 O4 . . 151.34(13) ?
O13 Dy1 O4 . . 116.69(12) ?
O12 Dy1 O3 . . 83.06(12) ?
O13 Dy1 O3 . . 74.94(13) ?
O4 Dy1 O3 . . 125.32(13) ?
O12 Dy1 O5 . . 126.44(12) ?
O13 Dy1 O5 . . 117.91(12) ?
O4 Dy1 O5 . . 80.64(13) ?
O3 Dy1 O5 . . 51.28(13) ?
O12 Dy1 O2 . . 75.83(13) ?
O13 Dy1 O2 . . 111.10(12) ?
O4 Dy1 O2 . . 78.57(13) ?
O3 Dy1 O2 . . 151.06(14) ?
O5 Dy1 O2 . . 130.98(13) ?
O12 Dy1 O11 . . 63.88(10) ?
O13 Dy1 O11 . . 120.64(10) ?
O4 Dy1 O11 . . 122.51(11) ?
O3 Dy1 O11 . . 75.22(13) ?
O5 Dy1 O11 . . 77.04(12) ?
O2 Dy1 O11 . . 77.78(12) ?
O12 Dy1 O7 . . 74.46(12) ?
O13 Dy1 O7 . . 66.68(12) ?
O4 Dy1 O7 . . 79.32(13) ?
O3 Dy1 O7 . . 141.16(13) ?
O5 Dy1 O7 . . 158.96(13) ?
O2 Dy1 O7 . . 50.09(12) ?
O11 Dy1 O7 . . 119.63(11) ?
O12 Dy1 O8 . . 125.97(12) ?
O13 Dy1 O8 . . 166.55(12) ?
O4 Dy1 O8 . . 50.43(12) ?
O3 Dy1 O8 . . 114.80(13) ?
O5 Dy1 O8 . . 67.16(13) ?
O2 Dy1 O8 . . 65.33(14) ?
O11 Dy1 O8 . . 72.08(11) ?
O7 Dy1 O8 . . 104.04(13) ?
O12 Dy1 O9 . . 123.21(10) ?
O13 Dy1 O9 . . 62.27(10) ?
O4 Dy1 O9 . . 70.15(12) ?
O3 Dy1 O9 . . 71.10(13) ?
O5 Dy1 O9 . . 71.82(12) ?
O2 Dy1 O9 . . 137.45(12) ?
O11 Dy1 O9 . . 143.81(11) ?
O7 Dy1 O9 . . 95.24(12) ?
O8 Dy1 O9 . . 110.78(12) ?
O12 Dy1 N5 . . 105.58(13) ?
O13 Dy1 N5 . . 96.16(14) ?
O4 Dy1 N5 . . 102.99(14) ?
O3 Dy1 N5 . . 25.60(13) ?
O5 Dy1 N5 . . 25.70(13) ?
O2 Dy1 N5 . . 148.84(13) ?
O11 Dy1 N5 . . 75.38(13) ?
O7 Dy1 N5 . . 161.04(14) ?
O8 Dy1 N5 . . 91.33(15) ?
O9 Dy1 N5 . . 68.55(13) ?
O12 Dy1 Cu1 . . 31.77(7) ?
O13 Dy1 Cu1 . . 32.27(7) ?
O4 Dy1 Cu1 . . 135.29(9) ?
O3 Dy1 Cu1 . . 84.41(9) ?
O5 Dy1 Cu1 . . 135.66(9) ?
O2 Dy1 Cu1 . . 87.77(10) ?
O11 Dy1 Cu1 . . 95.00(7) ?
O7 Dy1 Cu1 . . 59.94(9) ?
O8 Dy1 Cu1 . . 151.81(10) ?
O9 Dy1 Cu1 . . 94.54(8) ?
N5 Dy1 Cu1 . . 109.96(11) ?
O12 Cu1 O13 . . 79.77(12) ?
O12 Cu1 N4 . . 171.66(15) ?
O13 Cu1 N4 . . 91.99(15) ?
O12 Cu1 N3 . . 91.17(14) ?
O13 Cu1 N3 . . 170.84(14) ?
N4 Cu1 N3 . . 97.10(17) ?
O12 Cu1 Dy1 . . 40.19(8) ?
O13 Cu1 Dy1 . . 41.67(9) ?
N4 Cu1 Dy1 . . 132.12(12) ?
N3 Cu1 Dy1 . . 129.23(11) ?
N1 O2 Dy1 . . 98.3(3) ?
N5 O3 Dy1 . . 96.8(3) ?
N2 O4 Dy1 . . 98.9(3) ?
N5 O5 Dy1 . . 96.5(3) ?
N1 O7 Dy1 . . 96.5(3) ?
N2 O8 Dy1 . . 94.2(3) ?
C14 O9 C18 . . 115.2(4) ?
C14 O9 Dy1 . . 118.9(2) ?
C18 O9 Dy1 . . 125.6(3) ?
C12 O11 C19 . . 116.7(3) ?
C12 O11 Dy1 . . 118.6(2) ?
C19 O11 Dy1 . . 124.8(3) ?
C16 O12 Cu1 . . 126.8(3) ?
C16 O12 Dy1 . . 124.4(2) ?
Cu1 O12 Dy1 . . 108.04(12) ?
C4 O13 Cu1 . . 127.3(3) ?
C4 O13 Dy1 . . 126.6(3) ?
Cu1 O13 Dy1 . . 106.06(12) ?
O6 N1 O7 . . 122.9(5) ?
O6 N1 O2 . . 121.9(5) ?
O7 N1 O2 . . 115.1(4) ?
O10 N2 O8 . . 122.1(4) ?
O10 N2 O4 . . 121.5(4) ?
O8 N2 O4 . . 116.5(4) ?
C10 N3 C2 . . 114.6(4) ?
C10 N3 Cu1 . . 123.8(3) ?
C2 N3 Cu1 . . 121.6(3) ?
C13 N4 C3 . . 115.8(4) ?
C13 N4 Cu1 . . 124.1(3) ?
C3 N4 Cu1 . . 120.1(4) ?
O1 N5 O3 . . 122.4(6) ?
O1 N5 O5 . . 122.2(6) ?
O3 N5 O5 . . 115.4(4) ?
O1 N5 Dy1 . . 177.9(5) ?
O3 N5 Dy1 . . 57.6(2) ?
O5 N5 Dy1 . . 57.8(2) ?
C17 C1 C7 . . 121.2(4) ?
C17 C1 H1A . . 119.4 ?
C7 C1 H1A . . 119.4 ?
C6 C2 N3 . . 114.3(5) ?
C6 C2 H2A . . 108.7 ?
N3 C2 H2A . . 108.7 ?
C6 C2 H2B . . 108.7 ?
N3 C2 H2B . . 108.7 ?
H2A C2 H2B . . 107.6 ?
C6 C3 N4 . . 118.6(6) ?
C6 C3 H3A . . 107.7 ?
N4 C3 H3A . . 107.7 ?
C6 C3 H3B . . 107.7 ?
N4 C3 H3B . . 107.7 ?
H3A C3 H3B . . 107.1 ?
O13 C4 C15 . . 124.0(4) ?
O13 C4 C14 . . 117.9(4) ?
C15 C4 C14 . . 118.1(4) ?
C8 C5 C9 . . 121.2(4) ?
C8 C5 H5A . . 119.4 ?
C9 C5 H5A . . 119.4 ?
C3 C6 C2 . . 126.5(9) ?
C3 C6 H6A . . 105.7 ?
C2 C6 H6A . . 105.7 ?
C3 C6 H6B . . 105.7 ?
C2 C6 H6B . . 105.7 ?
H6A C6 H6B . . 106.1 ?
C14 C7 C1 . . 118.8(5) ?
C14 C7 H7A . . 120.6 ?
C1 C7 H7A . . 120.6 ?
C5 C8 C11 . . 120.2(4) ?
C5 C8 H8A . . 119.9 ?
C11 C8 H8A . . 119.9 ?
C5 C9 C12 . . 119.0(4) ?
C5 C9 H9A . . 120.5 ?
C12 C9 H9A . . 120.5 ?
N3 C10 C11 . . 126.9(4) ?
N3 C10 H10A . . 116.5 ?
C11 C10 H10A . . 116.5 ?
C16 C11 C8 . . 119.4(4) ?
C16 C11 C10 . . 122.6(4) ?
C8 C11 C10 . . 117.8(4) ?
O11 C12 C9 . . 124.6(4) ?
O11 C12 C16 . . 114.4(3) ?
C9 C12 C16 . . 121.0(4) ?
N4 C13 C15 . . 127.7(4) ?
N4 C13 H13A . . 116.2 ?
C15 C13 H13A . . 116.2 ?
C7 C14 O9 . . 124.6(4) ?
C7 C14 C4 . . 121.3(4) ?
O9 C14 C4 . . 114.1(3) ?
C4 C15 C17 . . 119.9(4) ?
C4 C15 C13 . . 121.8(4) ?
C17 C15 C13 . . 117.7(4) ?
O12 C16 C12 . . 118.6(4) ?
O12 C16 C11 . . 122.4(4) ?
C12 C16 C11 . . 119.0(4) ?
C1 C17 C15 . . 120.6(5) ?
C1 C17 H17A . . 119.7 ?
C15 C17 H17A . . 119.7 ?
O9 C18 H18A . . 109.5 ?
O9 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
O9 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
O11 C19 H19A . . 109.5 ?
O11 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
O11 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C1M O1M H4M . . 131.5 ?
O1M C1M H1M . . 109.5 ?
O1M C1M H2M . . 109.5 ?
H1M C1M H2M . . 109.5 ?
O1M C1M H3M . . 109.5 ?
H1M C1M H3M . . 109.5 ?
H2M C1M H3M . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Dy1 O12 . 2.368(3) ?
Dy1 O13 . 2.414(3) ?
Dy1 O4 . 2.458(3) ?
Dy1 O3 . 2.477(4) ?
Dy1 O5 . 2.483(3) ?
Dy1 O2 . 2.499(4) ?
Dy1 O11 . 2.534(3) ?
Dy1 O7 . 2.539(4) ?
Dy1 O8 . 2.567(4) ?
Dy1 O9 . 2.601(3) ?
Dy1 N5 . 2.914(5) ?
Dy1 Cu1 . 3.4884(9) ?
Cu1 O12 . 1.931(3) ?
Cu1 O13 . 1.938(3) ?
Cu1 N4 . 1.961(4) ?
Cu1 N3 . 1.968(4) ?
O1 N5 . 1.190(7) ?
O2 N1 . 1.266(6) ?
O3 N5 . 1.268(6) ?
O4 N2 . 1.270(5) ?
O5 N5 . 1.272(6) ?
O6 N1 . 1.224(6) ?
O7 N1 . 1.261(6) ?
O8 N2 . 1.250(5) ?
O9 C14 . 1.387(5) ?
O9 C18 . 1.446(5) ?
O10 N2 . 1.213(5) ?
O11 C12 . 1.376(5) ?
O11 C19 . 1.438(5) ?
O12 C16 . 1.327(5) ?
O13 C4 . 1.322(5) ?
N3 C10 . 1.275(6) ?
N3 C2 . 1.481(6) ?
N4 C13 . 1.264(7) ?
N4 C3 . 1.490(7) ?
C1 C17 . 1.335(8) ?
C1 C7 . 1.402(8) ?
C1 H1A . 0.9300 ?
C2 C6 . 1.417(9) ?
C2 H2A . 0.9700 ?
C2 H2B . 0.9700 ?
C3 C6 . 1.361(11) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C4 C15 . 1.389(6) ?
C4 C14 . 1.410(6) ?
C5 C8 . 1.360(7) ?
C5 C9 . 1.387(7) ?
C5 H5A . 0.9300 ?
C6 H6A . 0.9700 ?
C6 H6B . 0.9700 ?
C7 C14 . 1.378(6) ?
C7 H7A . 0.9300 ?
C8 C11 . 1.405(6) ?
C8 H8A . 0.9300 ?
C9 C12 . 1.389(6) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.452(6) ?
C10 H10A . 0.9300 ?
C11 C16 . 1.401(6) ?
C12 C16 . 1.392(6) ?
C13 C15 . 1.460(7) ?
C13 H13A . 0.9300 ?
C15 C17 . 1.413(6) ?
C17 H17A . 0.9300 ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
C19 H19A . 0.9600 ?
C19 H19B . 0.9600 ?
C19 H19C . 0.9600 ?
O1M C1M . 1.361(10) ?
O1M H4M . 0.8898 ?
C1M H1M . 0.9600 ?
C1M H2M . 0.9600 ?
C1M H3M . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1M H4M O2 2_666 0.89 2.03 2.852(8) 152
