#------------------------------------------------------------------------------
#$Date: 2012-02-24 17:13:23 +0000 (Fri, 24 Feb 2012) $
#$Revision: 34330 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/86/4308698.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_4308698
loop_
_publ_author_name
'Timothy J. Boyle'
'Scott D. Bunge'
'Paul G. Clem'
'Jacob Richardson'
'Jeffrey T. Dawley'
'Leigh Anna M. Ottley'
'Mark A. Rodriguez'
'Bruce A. Tuttle'
'Gabriel R. Avilucea'
'Ralph G. Tissot'
_publ_section_title
;
Synthesis and Characterization of a Family of Structurally Characterized
Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of
PDyZT Thin Films
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1588
_journal_page_last               1600
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H66 Dy N O3'
_chemical_formula_weight         795.46
_chemical_name_common            '(15) Dy(DBP)3(NH3)'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 105.696(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5879(12)
_cell_length_b                   14.6871(14)
_cell_length_c                   22.870(2)
_cell_measurement_temperature    168(2)
_cell_volume                     4070.5(7)
_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      168(2)
_diffrn_measured_fraction_theta_full 0.921
_diffrn_measured_fraction_theta_max 0.921
_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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            33689
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.871
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.00
_refine_diff_density_max         1.129
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         9282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0328
_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/[\s^2^(Fo^2^)+(0.0372P)^2^+2.8242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0779
_reflns_number_gt                7970
_reflns_number_total             9282
_reflns_threshold_expression     >2sigma(I)
_[local]_cod_data_source_file    ic048550bsi20041015_025718_11.cif
_[local]_cod_data_source_block   mar102p
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4308698
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 -0.029997(11) 0.270282(9) 0.771230(5) 0.02441(5) Uani 1 1 d . . .
N1 N -0.2012(2) 0.1923(2) 0.78033(12) 0.0411(6) Uani 1 1 d . . .
O1 O 0.02945(17) 0.21966(13) 0.70076(9) 0.0274(4) Uani 1 1 d . . .
O2 O -0.11158(15) 0.39392(13) 0.74341(8) 0.0259(4) Uani 1 1 d . . .
O3 O 0.04598(16) 0.25681(13) 0.86460(9) 0.0257(4) Uani 1 1 d . . .
C1 C 0.0593(2) 0.17436(19) 0.65582(12) 0.0243(6) Uani 1 1 d . . .
C2 C 0.1039(2) 0.22189(19) 0.61378(13) 0.0261(6) Uani 1 1 d . . .
C3 C 0.1273(2) 0.1714(2) 0.56720(14) 0.0330(7) Uani 1 1 d . . .
H3 H 0.1561 0.2022 0.5383 0.040 Uiso 1 1 calc R . .
C4 C 0.1106(3) 0.0790(2) 0.56137(15) 0.0417(8) Uani 1 1 d . . .
H4 H 0.1268 0.0469 0.5288 0.050 Uiso 1 1 calc R . .
C5 C 0.0704(3) 0.0338(2) 0.60321(15) 0.0389(8) Uani 1 1 d . . .
H5 H 0.0603 -0.0302 0.5995 0.047 Uiso 1 1 calc R . .
C6 C 0.0436(2) 0.0789(2) 0.65124(13) 0.0289(6) Uani 1 1 d . . .
C7 C 0.1298(2) 0.3244(2) 0.61881(13) 0.0281(6) Uani 1 1 d . . .
C8 C 0.2148(3) 0.3439(2) 0.67963(14) 0.0367(7) Uani 1 1 d . . .
H8A H 0.2255 0.4098 0.6848 0.055 Uiso 1 1 calc R . .
H8B H 0.2851 0.3149 0.6800 0.055 Uiso 1 1 calc R . .
H8C H 0.1880 0.3194 0.7129 0.055 Uiso 1 1 calc R . .
C9 C 0.0251(3) 0.3807(2) 0.61293(14) 0.0357(7) Uani 1 1 d . . .
H9A H -0.0276 0.3684 0.5736 0.054 Uiso 1 1 calc R . .
H9B H 0.0439 0.4456 0.6158 0.054 Uiso 1 1 calc R . .
H9C H -0.0080 0.3643 0.6456 0.054 Uiso 1 1 calc R . .
C10 C 0.1806(3) 0.3582(2) 0.56876(15) 0.0410(8) Uani 1 1 d . . .
H10A H 0.1278 0.3492 0.5290 0.061 Uiso 1 1 calc R . .
H10B H 0.2482 0.3239 0.5706 0.061 Uiso 1 1 calc R . .
H10C H 0.1983 0.4231 0.5748 0.061 Uiso 1 1 calc R . .
C11 C -0.0033(2) 0.0251(2) 0.69643(14) 0.0313(6) Uani 1 1 d . . .
C12 C -0.1253(3) 0.0501(2) 0.68565(15) 0.0377(7) Uani 1 1 d . . .
H12A H -0.1676 0.0258 0.6463 0.056 Uiso 1 1 calc R . .
H12B H -0.1330 0.1165 0.6857 0.056 Uiso 1 1 calc R . .
H12C H -0.1532 0.0239 0.7180 0.056 Uiso 1 1 calc R . .
C13 C 0.0631(3) 0.0435(2) 0.76249(15) 0.0398(8) Uani 1 1 d . . .
H13A H 0.0366 0.0998 0.7768 0.060 Uiso 1 1 calc R . .
H13B H 0.1414 0.0499 0.7644 0.060 Uiso 1 1 calc R . .
H13C H 0.0534 -0.0074 0.7883 0.060 Uiso 1 1 calc R . .
C14 C 0.0011(3) -0.0784(2) 0.68768(19) 0.0517(10) Uani 1 1 d . . .
H14A H -0.0305 -0.1093 0.7171 0.077 Uiso 1 1 calc R . .
H14B H 0.0779 -0.0976 0.6940 0.077 Uiso 1 1 calc R . .
H14C H -0.0414 -0.0944 0.6464 0.077 Uiso 1 1 calc R . .
C15 C -0.1242(2) 0.46733(19) 0.70697(12) 0.0240(6) Uani 1 1 d . . .
C16 C -0.0516(2) 0.54280(19) 0.72391(12) 0.0249(6) Uani 1 1 d . . .
C17 C -0.0582(2) 0.6114(2) 0.68135(14) 0.0319(7) Uani 1 1 d . . .
H17 H -0.0093 0.6618 0.6913 0.038 Uiso 1 1 calc R . .
C18 C -0.1341(3) 0.6085(2) 0.62469(15) 0.0383(7) Uani 1 1 d . . .
H18 H -0.1342 0.6546 0.5956 0.046 Uiso 1 1 calc R . .
C19 C -0.2090(2) 0.5385(2) 0.61096(13) 0.0341(7) Uani 1 1 d . . .
H19 H -0.2629 0.5386 0.5727 0.041 Uiso 1 1 calc R . .
C20 C -0.2087(2) 0.4674(2) 0.65116(13) 0.0273(6) Uani 1 1 d . . .
C21 C 0.0298(2) 0.5495(2) 0.78712(13) 0.0290(6) Uani 1 1 d . . .
C22 C -0.0366(3) 0.5571(3) 0.83400(15) 0.0501(9) Uani 1 1 d . . .
H22A H 0.0126 0.5483 0.8748 0.075 Uiso 1 1 calc R . .
H22B H -0.0943 0.5103 0.8259 0.075 Uiso 1 1 calc R . .
H22C H -0.0707 0.6175 0.8312 0.075 Uiso 1 1 calc R . .
C23 C 0.1022(3) 0.6350(3) 0.79458(18) 0.0566(11) Uani 1 1 d . . .
H23A H 0.1483 0.6322 0.7663 0.085 Uiso 1 1 calc R . .
H23B H 0.1494 0.6382 0.8363 0.085 Uiso 1 1 calc R . .
H23C H 0.0551 0.6891 0.7859 0.085 Uiso 1 1 calc R . .
C24 C 0.1073(3) 0.4676(3) 0.80226(16) 0.0486(9) Uani 1 1 d . . .
H24A H 0.1193 0.4429 0.7647 0.073 Uiso 1 1 calc R . .
H24B H 0.0743 0.4207 0.8223 0.073 Uiso 1 1 calc R . .
H24C H 0.1781 0.4868 0.8294 0.073 Uiso 1 1 calc R . .
C25 C -0.2965(2) 0.3917(2) 0.63466(14) 0.0338(7) Uani 1 1 d . . .
C26 C -0.3540(3) 0.3805(2) 0.68575(16) 0.0442(8) Uani 1 1 d . . .
H26A H -0.4043 0.3283 0.6767 0.066 Uiso 1 1 calc R . .
H26B H -0.3960 0.4357 0.6886 0.066 Uiso 1 1 calc R . .
H26C H -0.2984 0.3703 0.7244 0.066 Uiso 1 1 calc R . .
C27 C -0.3887(3) 0.4151(3) 0.57701(18) 0.0623(12) Uani 1 1 d . . .
H27A H -0.3582 0.4164 0.5419 0.093 Uiso 1 1 calc R . .
H27B H -0.4197 0.4750 0.5819 0.093 Uiso 1 1 calc R . .
H27C H -0.4469 0.3690 0.5706 0.093 Uiso 1 1 calc R . .
C28 C -0.2473(3) 0.3008(2) 0.62220(17) 0.0443(8) Uani 1 1 d . . .
H28A H -0.2137 0.3081 0.5885 0.066 Uiso 1 1 calc R . .
H28B H -0.3057 0.2548 0.6115 0.066 Uiso 1 1 calc R . .
H28C H -0.1909 0.2813 0.6586 0.066 Uiso 1 1 calc R . .
C29 C 0.1034(2) 0.29390(18) 0.91833(12) 0.0231(6) Uani 1 1 d . . .
C30 C 0.2204(2) 0.29327(19) 0.93459(12) 0.0252(6) Uani 1 1 d . . .
C31 C 0.2756(2) 0.3473(2) 0.98305(13) 0.0315(6) Uani 1 1 d . . .
H31 H 0.3538 0.3504 0.9936 0.038 Uiso 1 1 calc R . .
C32 C 0.2190(3) 0.3966(2) 1.01622(13) 0.0356(7) Uani 1 1 d . . .
H32 H 0.2575 0.4378 1.0467 0.043 Uiso 1 1 calc R . .
C33 C 0.1068(3) 0.3861(2) 1.00518(13) 0.0317(7) Uani 1 1 d . . .
H33 H 0.0698 0.4161 1.0308 0.038 Uiso 1 1 calc R . .
C34 C 0.0461(2) 0.33281(18) 0.95750(12) 0.0244(6) Uani 1 1 d . . .
C35 C 0.2849(3) 0.2312(2) 0.90251(14) 0.0311(6) Uani 1 1 d . . .
C36 C 0.2500(3) 0.1319(2) 0.90759(16) 0.0414(8) Uani 1 1 d . . .
H36A H 0.2716 0.1132 0.9503 0.062 Uiso 1 1 calc R . .
H36B H 0.2863 0.0926 0.8842 0.062 Uiso 1 1 calc R . .
H36C H 0.1698 0.1267 0.8914 0.062 Uiso 1 1 calc R . .
C37 C 0.4097(3) 0.2369(3) 0.93198(16) 0.0437(8) Uani 1 1 d . . .
H37A H 0.4353 0.2990 0.9279 0.065 Uiso 1 1 calc R . .
H37B H 0.4480 0.1942 0.9118 0.065 Uiso 1 1 calc R . .
H37C H 0.4254 0.2212 0.9751 0.065 Uiso 1 1 calc R . .
C38 C 0.2676(3) 0.2567(2) 0.83537(14) 0.0353(7) Uani 1 1 d . . .
H38A H 0.1933 0.2383 0.8121 0.053 Uiso 1 1 calc R . .
H38B H 0.3225 0.2253 0.8194 0.053 Uiso 1 1 calc R . .
H38C H 0.2758 0.3226 0.8318 0.053 Uiso 1 1 calc R . .
C39 C -0.0764(2) 0.3132(2) 0.95064(12) 0.0278(6) Uani 1 1 d . . .
C40 C -0.0971(3) 0.2103(2) 0.94466(15) 0.0342(7) Uani 1 1 d . . .
H40A H -0.1756 0.1980 0.9396 0.051 Uiso 1 1 calc R . .
H40B H -0.0532 0.1797 0.9813 0.051 Uiso 1 1 calc R . .
H40C H -0.0758 0.1874 0.9092 0.051 Uiso 1 1 calc R . .
C41 C -0.1525(3) 0.3637(2) 0.89658(14) 0.0356(7) Uani 1 1 d . . .
H41A H -0.1285 0.3519 0.8600 0.053 Uiso 1 1 calc R . .
H41B H -0.1493 0.4292 0.9049 0.053 Uiso 1 1 calc R . .
H41C H -0.2285 0.3421 0.8904 0.053 Uiso 1 1 calc R . .
C42 C -0.1116(3) 0.3435(3) 1.00702(14) 0.0413(8) Uani 1 1 d . . .
H42A H -0.1891 0.3273 1.0019 0.062 Uiso 1 1 calc R . .
H42B H -0.1027 0.4096 1.0119 0.062 Uiso 1 1 calc R . .
H42C H -0.0654 0.3130 1.0431 0.062 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.02750(8) 0.02837(8) 0.01812(7) -0.00093(5) 0.00748(5) 0.00324(5)
N1 0.0398(15) 0.0474(16) 0.0386(15) -0.0054(13) 0.0148(13) -0.0089(13)
O1 0.0321(11) 0.0273(11) 0.0226(10) -0.0045(8) 0.0070(8) 0.0026(8)
O2 0.0295(10) 0.0241(10) 0.0230(10) -0.0022(8) 0.0052(8) -0.0002(8)
O3 0.0269(10) 0.0294(10) 0.0204(9) -0.0048(8) 0.0059(8) 0.0002(8)
C1 0.0244(13) 0.0271(14) 0.0219(13) -0.0068(11) 0.0071(11) 0.0041(11)
C2 0.0232(14) 0.0290(15) 0.0263(14) -0.0026(12) 0.0068(11) 0.0048(11)
C3 0.0331(16) 0.0400(18) 0.0307(15) -0.0064(13) 0.0169(13) 0.0023(13)
C4 0.052(2) 0.0390(18) 0.0410(19) -0.0175(15) 0.0250(16) -0.0020(16)
C5 0.0483(19) 0.0286(16) 0.0446(19) -0.0129(14) 0.0206(16) -0.0043(14)
C6 0.0282(15) 0.0297(15) 0.0294(15) -0.0043(12) 0.0086(12) 0.0004(12)
C7 0.0300(15) 0.0306(16) 0.0254(14) -0.0028(12) 0.0107(12) 0.0012(12)
C8 0.0392(17) 0.0347(17) 0.0342(17) -0.0026(14) 0.0068(14) -0.0066(14)
C9 0.0437(18) 0.0315(17) 0.0340(16) -0.0010(13) 0.0142(14) 0.0092(14)
C10 0.053(2) 0.0362(18) 0.0412(18) -0.0018(15) 0.0256(16) -0.0035(15)
C11 0.0315(16) 0.0278(15) 0.0347(16) -0.0010(13) 0.0093(13) -0.0002(12)
C12 0.0339(17) 0.0433(19) 0.0344(17) 0.0044(14) 0.0071(14) -0.0025(14)
C13 0.0384(18) 0.0367(18) 0.0387(18) 0.0069(15) 0.0010(14) -0.0031(14)
C14 0.065(2) 0.0309(18) 0.069(3) -0.0042(17) 0.034(2) -0.0038(17)
C15 0.0264(14) 0.0238(14) 0.0242(13) -0.0030(11) 0.0109(11) 0.0043(11)
C16 0.0232(13) 0.0280(14) 0.0245(14) -0.0028(11) 0.0080(11) 0.0010(11)
C17 0.0262(15) 0.0324(16) 0.0375(17) 0.0018(13) 0.0095(13) 0.0007(12)
C18 0.0342(17) 0.0434(19) 0.0371(17) 0.0127(15) 0.0095(14) 0.0059(14)
C19 0.0303(16) 0.0415(18) 0.0261(15) -0.0002(13) 0.0001(12) 0.0085(13)
C20 0.0245(14) 0.0294(15) 0.0276(14) -0.0047(12) 0.0063(12) 0.0054(11)
C21 0.0294(15) 0.0280(15) 0.0271(14) -0.0014(12) 0.0037(12) -0.0068(12)
C22 0.059(2) 0.061(2) 0.0311(18) -0.0190(17) 0.0135(17) -0.0113(19)
C23 0.051(2) 0.053(2) 0.051(2) 0.0103(18) -0.0107(18) -0.0269(19)
C24 0.044(2) 0.052(2) 0.0389(19) -0.0025(16) -0.0073(16) 0.0102(17)
C25 0.0289(15) 0.0347(17) 0.0329(16) -0.0097(13) 0.0001(13) -0.0015(13)
C26 0.0334(17) 0.047(2) 0.054(2) -0.0137(17) 0.0150(16) -0.0061(15)
C27 0.045(2) 0.068(3) 0.056(2) -0.004(2) -0.0183(19) -0.008(2)
C28 0.0431(19) 0.0399(18) 0.048(2) -0.0210(16) 0.0097(16) -0.0052(15)
C29 0.0302(14) 0.0194(13) 0.0194(13) 0.0000(10) 0.0058(11) -0.0016(11)
C30 0.0276(14) 0.0257(14) 0.0226(13) 0.0047(11) 0.0073(11) 0.0002(11)
C31 0.0295(15) 0.0380(16) 0.0259(15) 0.0011(13) 0.0054(12) -0.0070(13)
C32 0.0427(18) 0.0370(17) 0.0269(15) -0.0100(13) 0.0088(14) -0.0122(14)
C33 0.0420(17) 0.0302(16) 0.0256(14) -0.0061(12) 0.0136(13) -0.0055(13)
C34 0.0302(14) 0.0227(14) 0.0210(13) 0.0016(11) 0.0083(11) -0.0004(11)
C35 0.0283(15) 0.0373(17) 0.0268(15) 0.0025(13) 0.0060(12) 0.0069(13)
C36 0.048(2) 0.0327(17) 0.0434(19) 0.0022(15) 0.0116(16) 0.0108(15)
C37 0.0309(17) 0.060(2) 0.0374(18) 0.0035(16) 0.0047(14) 0.0152(16)
C38 0.0298(16) 0.050(2) 0.0269(15) -0.0001(14) 0.0095(13) 0.0070(14)
C39 0.0298(15) 0.0331(16) 0.0217(13) 0.0005(12) 0.0093(11) -0.0016(12)
C40 0.0333(16) 0.0349(17) 0.0336(16) 0.0033(13) 0.0079(13) -0.0058(13)
C41 0.0353(17) 0.0393(18) 0.0340(16) 0.0028(14) 0.0127(14) 0.0081(14)
C42 0.0441(19) 0.053(2) 0.0338(17) -0.0051(15) 0.0225(15) -0.0041(16)
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'
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'
N N 0.0061 0.0033 '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
_geom_angle_publ_flag
O1 Dy1 O2 108.80(7) . . ?
O1 Dy1 O3 126.26(8) . . ?
O2 Dy1 O3 116.16(7) . . ?
O1 Dy1 N1 113.46(9) . . ?
O2 Dy1 N1 93.42(9) . . ?
O3 Dy1 N1 92.17(8) . . ?
C1 O1 Dy1 170.84(18) . . ?
C15 O2 Dy1 147.93(17) . . ?
C29 O3 Dy1 149.98(17) . . ?
O1 C1 C6 118.6(2) . . ?
O1 C1 C2 120.8(2) . . ?
C6 C1 C2 120.6(2) . . ?
C3 C2 C1 117.4(3) . . ?
C3 C2 C7 119.5(3) . . ?
C1 C2 C7 123.0(2) . . ?
C4 C3 C2 122.7(3) . . ?
C5 C4 C3 119.1(3) . . ?
C4 C5 C6 122.2(3) . . ?
C5 C6 C1 117.9(3) . . ?
C5 C6 C11 120.1(3) . . ?
C1 C6 C11 122.0(2) . . ?
C9 C7 C8 110.6(2) . . ?
C9 C7 C10 106.4(3) . . ?
C8 C7 C10 106.7(3) . . ?
C9 C7 C2 111.2(2) . . ?
C8 C7 C2 109.4(2) . . ?
C10 C7 C2 112.5(2) . . ?
C12 C11 C14 106.6(3) . . ?
C12 C11 C6 108.6(2) . . ?
C14 C11 C6 112.8(3) . . ?
C12 C11 C13 111.7(3) . . ?
C14 C11 C13 105.8(3) . . ?
C6 C11 C13 111.4(2) . . ?
O2 C15 C16 119.7(2) . . ?
O2 C15 C20 119.4(2) . . ?
C16 C15 C20 120.8(3) . . ?
C17 C16 C15 117.6(3) . . ?
C17 C16 C21 120.9(3) . . ?
C15 C16 C21 121.6(2) . . ?
C18 C17 C16 121.9(3) . . ?
C19 C18 C17 119.6(3) . . ?
C18 C19 C20 122.1(3) . . ?
C19 C20 C15 117.5(3) . . ?
C19 C20 C25 120.4(3) . . ?
C15 C20 C25 122.1(3) . . ?
C24 C21 C22 109.6(3) . . ?
C24 C21 C16 112.7(2) . . ?
C22 C21 C16 108.2(2) . . ?
C24 C21 C23 107.1(3) . . ?
C22 C21 C23 106.5(3) . . ?
C16 C21 C23 112.5(3) . . ?
C28 C25 C20 112.1(3) . . ?
C28 C25 C26 110.2(3) . . ?
C20 C25 C26 110.1(2) . . ?
C28 C25 C27 106.5(3) . . ?
C20 C25 C27 111.9(3) . . ?
C26 C25 C27 105.8(3) . . ?
O3 C29 C34 119.8(2) . . ?
O3 C29 C30 119.7(2) . . ?
C34 C29 C30 120.5(2) . . ?
C31 C30 C29 117.8(3) . . ?
C31 C30 C35 120.4(3) . . ?
C29 C30 C35 121.7(3) . . ?
C32 C31 C30 121.2(3) . . ?
C33 C32 C31 119.9(3) . . ?
C32 C33 C34 121.8(3) . . ?
C33 C34 C29 117.2(3) . . ?
C33 C34 C39 120.7(2) . . ?
C29 C34 C39 122.0(2) . . ?
C30 C35 C37 111.7(3) . . ?
C30 C35 C36 109.2(3) . . ?
C37 C35 C36 107.4(3) . . ?
C30 C35 C38 112.5(2) . . ?
C37 C35 C38 106.1(3) . . ?
C36 C35 C38 109.9(3) . . ?
C40 C39 C34 109.6(2) . . ?
C40 C39 C41 110.5(2) . . ?
C34 C39 C41 112.5(2) . . ?
C40 C39 C42 106.2(2) . . ?
C34 C39 C42 111.7(2) . . ?
C41 C39 C42 106.1(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.0886(19) . ?
Dy1 O2 2.0984(19) . ?
Dy1 O3 2.0996(19) . ?
Dy1 N1 2.499(3) . ?
O1 C1 1.360(3) . ?
O2 C15 1.345(3) . ?
O3 C29 1.360(3) . ?
C1 C6 1.416(4) . ?
C1 C2 1.421(4) . ?
C2 C3 1.393(4) . ?
C2 C7 1.539(4) . ?
C3 C4 1.374(4) . ?
C4 C5 1.370(5) . ?
C5 C6 1.400(4) . ?
C6 C11 1.539(4) . ?
C7 C9 1.530(4) . ?
C7 C8 1.535(4) . ?
C7 C10 1.537(4) . ?
C11 C12 1.532(4) . ?
C11 C14 1.536(4) . ?
C11 C13 1.540(4) . ?
C15 C16 1.422(4) . ?
C15 C20 1.423(4) . ?
C16 C17 1.387(4) . ?
C16 C21 1.532(4) . ?
C17 C18 1.387(4) . ?
C18 C19 1.373(4) . ?
C19 C20 1.390(4) . ?
C20 C25 1.541(4) . ?
C21 C24 1.528(4) . ?
C21 C22 1.532(4) . ?
C21 C23 1.533(4) . ?
C25 C28 1.530(4) . ?
C25 C26 1.541(5) . ?
C25 C27 1.542(4) . ?
C29 C34 1.414(4) . ?
C29 C30 1.417(4) . ?
C30 C31 1.387(4) . ?
C30 C35 1.534(4) . ?
C31 C32 1.378(4) . ?
C32 C33 1.374(4) . ?
C33 C34 1.391(4) . ?
C34 C39 1.534(4) . ?
C35 C37 1.534(4) . ?
C35 C36 1.536(4) . ?
C35 C38 1.537(4) . ?
C39 C40 1.534(4) . ?
C39 C41 1.535(4) . ?
C39 C42 1.538(4) . ?