#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/88/4328848.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_4328848
loop_
_publ_author_name
'Allen Bowden'
'Simon J. Coles'
'Mateusz B. Pitak'
'Andrew W. G. Platt'
_publ_section_title
;
 Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4379
_journal_page_last               4389
_journal_paper_doi               10.1021/ic300142r
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C24 H54 Dy N3 O11 P2'
_chemical_formula_sum            'C24 H54 Dy N3 O11 P2'
_chemical_formula_weight         785.14
_chemical_name_common            Dy
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           146
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   28.2470(3)
_cell_length_b                   28.2470(3)
_cell_length_c                   15.0660(3)
_cell_measurement_reflns_used    20424
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     10410.5(3)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker-Nonius Roper CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0835
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23210
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    2.299
_exptl_absorpt_correction_T_max  0.9555
_exptl_absorpt_correction_T_min  0.7390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_description       Block
_exptl_crystal_F_000             4836
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.637
_refine_diff_density_rms         0.138
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.696(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         10212
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0589
_refine_ls_R_factor_gt           0.0491
_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)+(0.0000P)²+73.7087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1006
_reflns_number_gt                9210
_reflns_number_total             10212
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic300142r_si_001_4.cif
_cod_data_source_block           Dy
_cod_original_sg_symbol_Hall     'R 3 '
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               4328848
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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
Dy1 Dy 0.712058(12) 0.864466(12) 0.85315(2) 0.01543(8) Uani 1 1 d .
P1 P 0.65856(7) 0.80378(7) 1.07513(12) 0.0143(4) Uani 1 1 d .
P2 P 0.67444(7) 0.85962(7) 0.61520(12) 0.0153(4) Uani 1 1 d .
O1 O 0.68410(19) 0.83013(19) 0.9871(3) 0.0179(11) Uani 1 1 d .
O2 O 0.6921(2) 0.86346(19) 0.7110(3) 0.0154(11) Uani 1 1 d .
O11 O 0.79274(19) 0.9210(2) 0.9404(3) 0.0215(11) Uani 1 1 d .
O12 O 0.7966(2) 0.9411(2) 0.8009(4) 0.0232(11) Uani 1 1 d .
O13 O 0.86948(18) 0.98473(19) 0.8839(4) 0.0251(12) Uani 1 1 d .
O21 O 0.6956(2) 0.9381(2) 0.8844(4) 0.0258(13) Uani 1 1 d .
O22 O 0.6230(2) 0.8594(2) 0.8628(4) 0.0221(12) Uani 1 1 d .
O23 O 0.6146(3) 0.9290(2) 0.9026(5) 0.0453(17) Uani 1 1 d .
O31 O 0.6828(2) 0.7688(2) 0.8192(4) 0.0250(12) Uani 1 1 d .
O32 O 0.7406(3) 0.7422(2) 0.7793(4) 0.0405(16) Uani 1 1 d .
O33 O 0.7697(2) 0.8254(2) 0.8246(4) 0.0309(13) Uani 1 1 d .
N11 N 0.8212(2) 0.9496(2) 0.8756(4) 0.0174(13) Uani 1 1 d .
N21 N 0.6435(3) 0.9099(3) 0.8833(4) 0.0258(15) Uani 1 1 d .
N31 N 0.7313(3) 0.7774(2) 0.8073(4) 0.0243(14) Uani 1 1 d .
C1 C 0.5835(3) 0.7596(3) 1.0575(5) 0.0196(16) Uani 1 1 d .
C2 C 0.5734(3) 0.7310(3) 0.9667(5) 0.0252(17) Uani 1 1 d .
H2A H 0.5930 0.7105 0.9642 0.038 Uiso 1 1 calc R
H2B H 0.5867 0.7584 0.9193 0.038 Uiso 1 1 calc R
H2C H 0.5342 0.7058 0.9589 0.038 Uiso 1 1 calc R
C3 C 0.5533(3) 0.7928(3) 1.0534(6) 0.0283(18) Uani 1 1 d .
H3A H 0.5148 0.7683 1.0386 0.043 Uiso 1 1 calc R
H3B H 0.5702 0.8213 1.0079 0.043 Uiso 1 1 calc R
H3C H 0.5558 0.8098 1.1113 0.043 Uiso 1 1 calc R
C4 C 0.5559(3) 0.7161(3) 1.1299(5) 0.0277(18) Uani 1 1 d .
H4A H 0.5617 0.7339 1.1878 0.042 Uiso 1 1 calc R
H4B H 0.5718 0.6921 1.1303 0.042 Uiso 1 1 calc R
H4C H 0.5166 0.6943 1.1178 0.042 Uiso 1 1 calc R
C5 C 0.6907(3) 0.7625(3) 1.1089(5) 0.0192(15) Uani 1 1 d .
C6 C 0.6696(3) 0.7115(3) 1.0481(5) 0.0246(17) Uani 1 1 d .
H6A H 0.6913 0.6937 1.0586 0.037 Uiso 1 1 calc R
H6B H 0.6732 0.7227 0.9858 0.037 Uiso 1 1 calc R
H6C H 0.6311 0.6858 1.0615 0.037 Uiso 1 1 calc R
C7 C 0.7530(3) 0.7964(3) 1.0902(5) 0.0253(17) Uani 1 1 d .
H7A H 0.7690 0.7726 1.0947 0.038 Uiso 1 1 calc R
H7B H 0.7704 0.8260 1.1337 0.038 Uiso 1 1 calc R
H7C H 0.7591 0.8119 1.0303 0.038 Uiso 1 1 calc R
C8 C 0.6818(3) 0.7446(3) 1.2070(5) 0.0286(18) Uani 1 1 d .
H8A H 0.6429 0.7283 1.2218 0.043 Uiso 1 1 calc R
H8B H 0.7033 0.7764 1.2450 0.043 Uiso 1 1 calc R
H8C H 0.6934 0.7176 1.2165 0.043 Uiso 1 1 calc R
C9 C 0.6742(3) 0.8594(3) 1.1551(5) 0.0214(16) Uani 1 1 d .
C10 C 0.7348(3) 0.8894(3) 1.1830(6) 0.034(2) Uani 1 1 d .
H10A H 0.7580 0.9030 1.1301 0.051 Uiso 1 1 calc R
H10B H 0.7429 0.8640 1.2150 0.051 Uiso 1 1 calc R
H10C H 0.7421 0.9202 1.2218 0.051 Uiso 1 1 calc R
C11 C 0.6664(3) 0.9039(3) 1.1080(5) 0.0276(18) Uani 1 1 d .
H11A H 0.6714 0.9320 1.1511 0.041 Uiso 1 1 calc R
H11B H 0.6296 0.8872 1.0829 0.041 Uiso 1 1 calc R
H11C H 0.6935 0.9207 1.0604 0.041 Uiso 1 1 calc R
C12 C 0.6392(3) 0.8409(4) 1.2402(5) 0.0322(19) Uani 1 1 d .
H12A H 0.6442 0.8130 1.2704 0.048 Uiso 1 1 calc R
H12B H 0.6006 0.8255 1.2245 0.048 Uiso 1 1 calc R
H12C H 0.6505 0.8723 1.2796 0.048 Uiso 1 1 calc R
C13 C 0.5982(3) 0.8206(3) 0.6116(5) 0.0184(15) Uani 1 1 d .
C14 C 0.5751(3) 0.8565(3) 0.6477(5) 0.0250(17) Uani 1 1 d .
H14A H 0.5866 0.8882 0.6088 0.038 Uiso 1 1 calc R
H14B H 0.5891 0.8690 0.7077 0.038 Uiso 1 1 calc R
H14C H 0.5351 0.8349 0.6492 0.038 Uiso 1 1 calc R
C15 C 0.5773(3) 0.7716(3) 0.6772(6) 0.0295(19) Uani 1 1 d .
H15A H 0.5916 0.7852 0.7367 0.044 Uiso 1 1 calc R
H15B H 0.5897 0.7466 0.6573 0.044 Uiso 1 1 calc R
H15C H 0.5372 0.7522 0.6788 0.044 Uiso 1 1 calc R
C16 C 0.5743(3) 0.7985(3) 0.5189(5) 0.0290(19) Uani 1 1 d .
H16A H 0.5344 0.7802 0.5215 0.044 Uiso 1 1 calc R
H16B H 0.5855 0.7724 0.4997 0.044 Uiso 1 1 calc R
H16C H 0.5880 0.8289 0.4766 0.044 Uiso 1 1 calc R
C17 C 0.7045(3) 0.8235(3) 0.5550(5) 0.0233(16) Uani 1 1 d .
C18 C 0.6740(4) 0.7622(3) 0.5810(6) 0.0320(19) Uani 1 1 d .
H18A H 0.6932 0.7444 0.5561 0.048 Uiso 1 1 calc R
H18B H 0.6366 0.7445 0.5576 0.048 Uiso 1 1 calc R
H18C H 0.6728 0.7588 0.6458 0.048 Uiso 1 1 calc R
C19 C 0.7035(3) 0.8270(4) 0.4530(5) 0.0286(18) Uani 1 1 d .
H19A H 0.7188 0.8058 0.4268 0.043 Uiso 1 1 calc R
H19B H 0.7253 0.8653 0.4345 0.043 Uiso 1 1 calc R
H19C H 0.6657 0.8122 0.4328 0.043 Uiso 1 1 calc R
C20 C 0.7645(3) 0.8469(4) 0.5861(5) 0.0307(19) Uani 1 1 d .
H20A H 0.7657 0.8471 0.6511 0.046 Uiso 1 1 calc R
H20B H 0.7868 0.8843 0.5639 0.046 Uiso 1 1 calc R
H20C H 0.7787 0.8240 0.5630 0.046 Uiso 1 1 calc R
C21 C 0.7023(3) 0.9309(3) 0.5747(5) 0.0237(16) Uani 1 1 d .
C22 C 0.6754(3) 0.9342(3) 0.4875(5) 0.0269(17) Uani 1 1 d .
H22A H 0.6919 0.9724 0.4688 0.040 Uiso 1 1 calc R
H22B H 0.6361 0.9192 0.4972 0.040 Uiso 1 1 calc R
H22C H 0.6810 0.9131 0.4413 0.040 Uiso 1 1 calc R
C23 C 0.7641(3) 0.9577(3) 0.5587(6) 0.035(2) Uani 1 1 d .
H23A H 0.7709 0.9396 0.5089 0.053 Uiso 1 1 calc R
H23B H 0.7818 0.9542 0.6122 0.053 Uiso 1 1 calc R
H23C H 0.7790 0.9965 0.5447 0.053 Uiso 1 1 calc R
C24 C 0.6948(4) 0.9651(3) 0.6471(6) 0.0332(19) Uani 1 1 d .
H24A H 0.7152 1.0038 0.6307 0.050 Uiso 1 1 calc R
H24B H 0.7086 0.9598 0.7038 0.050 Uiso 1 1 calc R
H24C H 0.6559 0.9533 0.6529 0.050 Uiso 1 1 calc R
Dy2 Dy 1.0000 1.0000 0.38726(3) 0.01392(12) Uani 1 3 d S
P3 P 1.0000 1.0000 0.6343(2) 0.0154(6) Uani 1 3 d S
P4 P 1.0000 1.0000 0.1396(2) 0.0119(6) Uani 1 3 d S
O3 O 1.0000 1.0000 0.5328(6) 0.022(2) Uani 1 3 d S
O4 O 1.0000 1.0000 0.2408(5) 0.0156(17) Uani 1 3 d S
O41 O 1.0831(2) 0.9944(2) 0.3817(4) 0.0237(12) Uani 1 1 d .
O42 O 0.9096(2) 0.9916(2) 0.3903(4) 0.0326(14) Uani 1 1 d .
O43 O 1.0862(3) 0.9189(2) 0.3816(5) 0.0463(17) Uani 1 1 d .
N41 N 1.0599(3) 0.9426(3) 0.3852(5) 0.0292(15) Uani 1 1 d .
C25 C 0.9755(3) 1.0471(3) 0.6707(5) 0.0219(16) Uani 1 1 d .
C26 C 1.0022(3) 1.0981(3) 0.6125(5) 0.0279(17) Uani 1 1 d .
H26A H 0.9909 1.0878 0.5507 0.042 Uiso 1 1 calc R
H26B H 1.0420 1.1153 0.6169 0.042 Uiso 1 1 calc R
H26C H 0.9907 1.1239 0.6325 0.042 Uiso 1 1 calc R
C27 C 0.9140(3) 1.0221(3) 0.6554(5) 0.0278(18) Uani 1 1 d .
H27A H 0.9033 1.0495 0.6679 0.042 Uiso 1 1 calc R
H27B H 0.8940 0.9907 0.6949 0.042 Uiso 1 1 calc R
H27C H 0.9053 1.0102 0.5935 0.042 Uiso 1 1 calc R
C28 C 1.0592(3) 0.9927(3) 0.1025(4) 0.0171(14) Uani 1 1 d .
C29 C 1.0463(3) 0.9335(3) 0.1200(5) 0.0259(17) Uani 1 1 d .
H29A H 1.0160 0.9083 0.0819 0.039 Uiso 1 1 calc R
H29B H 1.0360 0.9241 0.1824 0.039 Uiso 1 1 calc R
H29C H 1.0787 0.9305 0.1069 0.039 Uiso 1 1 calc R
C30 C 1.1100(3) 1.0294(3) 0.1612(5) 0.0245(17) Uani 1 1 d .
H30A H 1.1395 1.0221 0.1471 0.037 Uiso 1 1 calc R
H30B H 1.1001 1.0214 0.2240 0.037 Uiso 1 1 calc R
H30C H 1.1222 1.0680 0.1495 0.037 Uiso 1 1 calc R
C31 C 1.0743(3) 1.0074(3) 0.0052(5) 0.0217(16) Uani 1 1 d .
H31A H 1.0884 1.0466 -0.0033 0.033 Uiso 1 1 calc R
H31B H 1.0417 0.9866 -0.0318 0.033 Uiso 1 1 calc R
H31C H 1.1023 0.9984 -0.0119 0.033 Uiso 1 1 calc R
C61 C 0.9874(3) 1.0639(3) 0.7689(5) 0.0285(18) Uani 1 1 d .
H61A H 1.0270 1.0853 0.7781 0.043 Uiso 1 1 calc R
H61B H 0.9720 1.0310 0.8061 0.043 Uiso 1 1 calc R
H61C H 0.9708 1.0860 0.7850 0.043 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'
P P 0.1023 0.0942 '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
O1 Dy1 O2 147.89(17) . .
O1 Dy1 O21 91.14(18) . .
O2 Dy1 O21 92.45(18) . .
O1 Dy1 O11 78.76(17) . .
O2 Dy1 O11 133.30(17) . .
O21 Dy1 O11 81.22(18) . .
O1 Dy1 O12 131.90(18) . .
O2 Dy1 O12 80.06(18) . .
O21 Dy1 O12 79.61(17) . .
O11 Dy1 O12 53.25(17) . .
O1 Dy1 O33 97.85(19) . .
O2 Dy1 O33 92.73(19) . .
O21 Dy1 O33 153.98(18) . .
O11 Dy1 O33 76.71(18) . .
O12 Dy1 O33 76.21(18) . .
O1 Dy1 O22 77.80(18) . .
O2 Dy1 O22 79.00(18) . .
O21 Dy1 O22 53.13(18) . .
O11 Dy1 O22 127.44(17) . .
O12 Dy1 O22 126.67(17) . .
O33 Dy1 O22 152.77(18) . .
O1 Dy1 O31 81.78(18) . .
O2 Dy1 O31 80.81(18) . .
O21 Dy1 O31 153.32(18) . .
O11 Dy1 O31 121.94(17) . .
O12 Dy1 O31 123.86(17) . .
O33 Dy1 O31 52.66(17) . .
O22 Dy1 O31 100.19(17) . .
O1 Dy1 N11 105.26(18) . .
O2 Dy1 N11 106.81(18) . .
O21 Dy1 N11 80.80(17) . .
O11 Dy1 N11 26.50(16) . .
O12 Dy1 N11 26.83(17) . .
O33 Dy1 N11 73.29(17) . .
O22 Dy1 N11 133.91(17) . .
O31 Dy1 N11 125.88(17) . .
O1 Dy1 N21 82.98(18) . .
O2 Dy1 N21 86.18(19) . .
O21 Dy1 N21 26.46(18) . .
O11 Dy1 N21 104.19(18) . .
O12 Dy1 N21 103.79(18) . .
O33 Dy1 N21 178.9(2) . .
O22 Dy1 N21 26.70(17) . .
O31 Dy1 N21 126.87(19) . .
N11 Dy1 N21 107.22(18) . .
O1 Dy1 N31 91.32(18) . .
O2 Dy1 N31 84.95(18) . .
O21 Dy1 N31 177.35(18) . .
O11 Dy1 N31 100.24(17) . .
O12 Dy1 N31 99.46(18) . .
O33 Dy1 N31 26.22(17) . .
O22 Dy1 N31 126.56(18) . .
O31 Dy1 N31 26.53(17) . .
N11 Dy1 N31 99.51(17) . .
N21 Dy1 N31 153.24(19) . .
O1 P1 C9 107.4(3) . .
O1 P1 C1 107.9(3) . .
C9 P1 C1 111.7(3) . .
O1 P1 C5 106.5(3) . .
C9 P1 C5 111.6(3) . .
C1 P1 C5 111.4(3) . .
O2 P2 C17 106.3(3) . .
O2 P2 C21 106.8(3) . .
C17 P2 C21 111.8(4) . .
O2 P2 C13 108.2(3) . .
C17 P2 C13 111.8(3) . .
C21 P2 C13 111.6(3) . .
P1 O1 Dy1 173.7(3) . .
P2 O2 Dy1 176.0(3) . .
N11 O11 Dy1 95.2(4) . .
N11 O12 Dy1 94.8(4) . .
N21 O21 Dy1 96.9(4) . .
N21 O22 Dy1 94.0(4) . .
N31 O31 Dy1 94.6(4) . .
N31 O33 Dy1 96.6(4) . .
O13 N11 O11 122.1(6) . .
O13 N11 O12 121.5(6) . .
O11 N11 O12 116.4(5) . .
O13 N11 Dy1 176.7(5) . .
O11 N11 Dy1 58.3(3) . .
O12 N11 Dy1 58.4(3) . .
O23 N21 O21 122.7(7) . .
O23 N21 O22 121.4(7) . .
O21 N21 O22 115.9(6) . .
O23 N21 Dy1 175.3(6) . .
O21 N21 Dy1 56.7(3) . .
O22 N21 Dy1 59.3(3) . .
O32 N31 O33 121.6(7) . .
O32 N31 O31 122.6(6) . .
O33 N31 O31 115.8(6) . .
O32 N31 Dy1 173.6(5) . .
O33 N31 Dy1 57.2(3) . .
O31 N31 Dy1 58.8(3) . .
C4 C1 C2 108.9(6) . .
C4 C1 C3 107.4(6) . .
C2 C1 C3 105.6(6) . .
C4 C1 P1 112.8(5) . .
C2 C1 P1 109.1(5) . .
C3 C1 P1 112.7(5) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C8 C5 C7 109.0(6) . .
C8 C5 C6 109.6(6) . .
C7 C5 C6 104.7(6) . .
C8 C5 P1 114.6(5) . .
C7 C5 P1 108.7(5) . .
C6 C5 P1 109.7(5) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 C12 107.9(6) . .
C10 C9 C11 104.4(6) . .
C12 C9 C11 109.2(6) . .
C10 C9 P1 111.8(5) . .
C12 C9 P1 114.3(5) . .
C11 C9 P1 108.7(5) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C16 C13 C14 109.9(6) . .
C16 C13 C15 108.6(6) . .
C14 C13 C15 105.1(6) . .
C16 C13 P2 114.1(5) . .
C14 C13 P2 110.0(5) . .
C15 C13 P2 108.7(5) . .
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 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C17 C20 109.0(6) . .
C19 C17 C18 107.9(6) . .
C20 C17 C18 106.2(6) . .
C19 C17 P2 115.0(5) . .
C20 C17 P2 108.7(5) . .
C18 C17 P2 109.7(5) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C23 C21 C24 106.3(6) . .
C23 C21 C22 108.1(6) . .
C24 C21 C22 109.8(6) . .
C23 C21 P2 110.4(5) . .
C24 C21 P2 109.2(5) . .
C22 C21 P2 113.0(5) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O3 Dy2 O4 180.000(5) . .
O3 Dy2 O41 91.97(14) . 3_675
O4 Dy2 O41 88.03(14) . 3_675
O3 Dy2 O41 91.97(14) . .
O4 Dy2 O41 88.03(14) . .
O41 Dy2 O41 119.883(17) 3_675 .
O3 Dy2 O41 91.97(13) . 2_765
O4 Dy2 O41 88.03(13) . 2_765
O41 Dy2 O41 119.883(18) 3_675 2_765
O41 Dy2 O41 119.883(19) . 2_765
O3 Dy2 O42 88.92(15) . .
O4 Dy2 O42 91.08(15) . .
O41 Dy2 O42 52.07(18) 3_675 .
O41 Dy2 O42 171.95(18) . .
O41 Dy2 O42 68.06(18) 2_765 .
O3 Dy2 O42 88.92(15) . 3_675
O4 Dy2 O42 91.08(15) . 3_675
O41 Dy2 O42 171.95(18) 3_675 3_675
O41 Dy2 O42 68.06(18) . 3_675
O41 Dy2 O42 52.07(18) 2_765 3_675
O42 Dy2 O42 119.965(11) . 3_675
O3 Dy2 O42 88.92(15) . 2_765
O4 Dy2 O42 91.08(15) . 2_765
O41 Dy2 O42 68.06(18) 3_675 2_765
O41 Dy2 O42 52.07(18) . 2_765
O41 Dy2 O42 171.95(18) 2_765 2_765
O42 Dy2 O42 119.965(13) . 2_765
O42 Dy2 O42 119.965(13) 3_675 2_765
O3 Dy2 N41 90.61(14) . 3_675
O4 Dy2 N41 89.39(14) . 3_675
O41 Dy2 N41 26.13(18) 3_675 3_675
O41 Dy2 N41 146.01(18) . 3_675
O41 Dy2 N41 93.88(18) 2_765 3_675
O42 Dy2 N41 25.95(19) . 3_675
O42 Dy2 N41 145.89(19) 3_675 3_675
O42 Dy2 N41 94.12(19) 2_765 3_675
O3 Dy2 N41 90.61(14) . .
O4 Dy2 N41 89.39(14) . .
O41 Dy2 N41 93.88(18) 3_675 .
O41 Dy2 N41 26.13(18) . .
O41 Dy2 N41 146.01(18) 2_765 .
O42 Dy2 N41 145.89(19) . .
O42 Dy2 N41 94.12(19) 3_675 .
O42 Dy2 N41 25.95(19) 2_765 .
N41 Dy2 N41 119.989(7) 3_675 .
O3 Dy2 N41 90.61(14) . 2_765
O4 Dy2 N41 89.39(14) . 2_765
O41 Dy2 N41 146.01(18) 3_675 2_765
O41 Dy2 N41 93.88(18) . 2_765
O41 Dy2 N41 26.13(18) 2_765 2_765
O42 Dy2 N41 94.12(19) . 2_765
O42 Dy2 N41 25.95(19) 3_675 2_765
O42 Dy2 N41 145.89(19) 2_765 2_765
N41 Dy2 N41 119.989(6) 3_675 2_765
N41 Dy2 N41 119.989(9) . 2_765
O3 P3 C25 107.1(2) . 2_765
O3 P3 C25 107.1(2) . .
C25 P3 C25 111.7(2) 2_765 .
O3 P3 C25 107.1(2) . 3_675
C25 P3 C25 111.7(2) 2_765 3_675
C25 P3 C25 111.7(2) . 3_675
O4 P4 C28 107.4(2) . 3_675
O4 P4 C28 107.4(2) . 2_765
C28 P4 C28 111.5(2) 3_675 2_765
O4 P4 C28 107.4(2) . .
C28 P4 C28 111.5(2) 3_675 .
C28 P4 C28 111.5(2) 2_765 .
P3 O3 Dy2 180.000(1) . .
P4 O4 Dy2 180.000(1) . .
N41 O41 Dy2 96.6(4) . .
N41 O42 Dy2 96.2(4) 3_675 .
O43 N41 O42 123.2(7) . 2_765
O43 N41 O41 121.6(7) . .
O42 N41 O41 115.2(6) 2_765 .
O43 N41 Dy2 177.8(6) . .
O42 N41 Dy2 57.9(4) 2_765 .
O41 N41 Dy2 57.3(3) . .
C26 C25 C27 105.1(6) . .
C26 C25 C61 109.5(7) . .
C27 C25 C61 108.1(6) . .
C26 C25 P3 108.7(5) . .
C27 C25 P3 111.5(5) . .
C61 C25 P3 113.6(5) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C31 C28 C29 109.9(6) . .
C31 C28 C30 109.0(6) . .
C29 C28 C30 105.4(6) . .
C31 C28 P4 113.6(5) . .
C29 C28 P4 109.1(5) . .
C30 C28 P4 109.5(5) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C28 C31 H31A 109.5 . .
C28 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C28 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C25 C61 H61A 109.5 . .
C25 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
C25 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.207(5) .
Dy1 O2 2.212(5) .
Dy1 O21 2.394(5) .
Dy1 O11 2.415(5) .
Dy1 O12 2.416(5) .
Dy1 O33 2.418(5) .
Dy1 O22 2.453(5) .
Dy1 O31 2.453(5) .
Dy1 N11 2.827(6) .
Dy1 N21 2.844(6) .
Dy1 N31 2.857(6) .
P1 O1 1.516(5) .
P1 C9 1.850(7) .
P1 C1 1.864(7) .
P1 C5 1.871(7) .
P2 O2 1.512(5) .
P2 C17 1.859(8) .
P2 C21 1.860(7) .
P2 C13 1.866(7) .
O11 N11 1.266(7) .
O12 N11 1.280(7) .
O13 N11 1.227(7) .
O21 N21 1.277(8) .
O22 N21 1.281(8) .
O23 N21 1.217(8) .
O31 N31 1.280(8) .
O32 N31 1.222(8) .
O33 N31 1.271(8) .
C1 C4 1.534(10) .
C1 C2 1.542(11) .
C1 C3 1.553(10) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C8 1.542(10) .
C5 C7 1.552(10) .
C5 C6 1.554(10) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.541(11) .
C9 C12 1.542(11) .
C9 C11 1.551(10) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C16 1.541(10) .
C13 C14 1.551(10) .
C13 C15 1.556(10) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C19 1.541(10) .
C17 C20 1.550(10) .
C17 C18 1.551(11) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C23 1.535(11) .
C21 C24 1.541(11) .
C21 C22 1.544(10) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
Dy2 O3 2.193(9) .
Dy2 O4 2.206(8) .
Dy2 O41 2.431(5) 3_675
Dy2 O41 2.431(5) .
Dy2 O41 2.431(5) 2_765
Dy2 O42 2.445(5) .
Dy2 O42 2.445(5) 3_675
Dy2 O42 2.445(5) 2_765
Dy2 N41 2.870(6) 3_675
Dy2 N41 2.870(6) .
Dy2 N41 2.870(6) 2_765
P3 O3 1.530(10) .
P3 C25 1.864(7) 2_765
P3 C25 1.864(7) .
P3 C25 1.864(7) 3_675
P4 O4 1.525(8) .
P4 C28 1.870(7) 3_675
P4 C28 1.870(7) 2_765
P4 C28 1.870(7) .
O41 N41 1.272(8) .
O42 N41 1.263(9) 3_675
O43 N41 1.225(8) .
N41 O42 1.263(9) 2_765
C25 C26 1.525(10) .
C25 C27 1.529(11) .
C25 C61 1.538(10) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C31 1.526(10) .
C28 C29 1.546(10) .
C28 C30 1.557(10) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
