#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/94/1519402.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_1519402
loop_
_publ_author_name
'Chow, Chun Y.'
'Bolvin, Hélène'
'Campbell, Victoria E.'
'Guillot, Régis'
'Kampf, Jeff W.'
'Wernsdorfer, Wolfgang'
'Gendron, Frédéric'
'Autschbach, Jochen'
'Pecoraro, Vincent L.'
'Mallah, Talal'
_publ_section_title
;
 Assessing the exchange coupling in binuclear lanthanide(iii) complexes
 and the slow relaxation of the magnetization in the antiferromagnetically
 coupled Dy2derivative
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4148
_journal_paper_doi               10.1039/C5SC01029B
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C50 H50 Dy Ga4 N20 O20'
_chemical_formula_sum            'C94 H93 Dy2 Ga4 N15 O31'
_chemical_formula_weight         2532.71
_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
_audit_update_record
;
2014-08-22 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.353(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.1638(18)
_cell_length_b                   22.1781(4)
_cell_length_c                   18.0649(3)
_cell_measurement_reflns_used    64196
_cell_measurement_temperature    85(2)
_cell_measurement_theta_max      68.40
_cell_measurement_theta_min      2.50
_cell_volume                     9947.7(8)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r12'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r12 (Rigaku, 2011)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r12'
_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      85(2)
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn944+ CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'micro-focus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1273
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            133023
_diffrn_reflns_theta_full        68.23
_diffrn_reflns_theta_max         68.23
_diffrn_reflns_theta_min         3.44
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.839
_exptl_absorpt_correction_T_max  0.712
_exptl_absorpt_correction_T_min  0.510
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             5063
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.792
_refine_diff_density_min         -1.514
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       0.000077(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     746
_refine_ls_number_reflns         9072
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0572
_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)+(0.1103P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1591
_reflns_number_gt                7721
_reflns_number_total             9072
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5sc01029b2.cif
_cod_data_source_block           3-Ga4Dy2
_cod_depositor_comments
'Adding full bibliography for 1519400--1519404.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1519402
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 0.185408(13) 0.278543(13) 0.032093(16) 0.03291(14) Uani 1 1 d . . .
Ga1 Ga 0.05241(3) 0.28817(3) 0.06641(3) 0.03415(18) Uani 1 1 d . . .
Ga2 Ga 0.36846(3) 0.37720(3) 0.03838(3) 0.03475(18) Uani 1 1 d . . .
O1 O 0.20676(16) 0.37663(15) 0.0568(2) 0.0380(8) Uani 1 1 d . F .
O2 O 0.27348(15) 0.30120(15) 0.0195(2) 0.0336(8) Uani 1 1 d . . .
O3 O 0.36419(17) 0.45453(17) 0.0804(2) 0.0440(9) Uani 1 1 d . . .
O4 O 0.05357(16) 0.12029(16) -0.0411(2) 0.0387(9) Uani 1 1 d . . .
O5 O 0.12215(15) 0.20148(15) 0.00773(19) 0.0325(7) Uani 1 1 d . . .
O6 O -0.02038(18) 0.28163(16) 0.0202(2) 0.0417(9) Uani 1 1 d . F .
O7 O 0.12957(17) 0.28537(15) 0.12778(19) 0.0347(8) Uani 1 1 d . F .
O8 O 0.03702(16) 0.25701(18) 0.1622(2) 0.0403(9) Uani 1 1 d . F .
O9 O 0.23090(16) 0.23698(17) 0.14150(18) 0.0355(8) Uani 1 1 d . F .
O10 O 0.04394(17) 0.37349(17) 0.0943(2) 0.0439(9) Uani 1 1 d . F .
O11 O 0.09376(16) 0.32607(15) -0.0071(2) 0.0390(9) Uani 1 1 d . F .
O12 O 0.0931(4) 0.4997(2) -0.0480(3) 0.104(3) Uani 1 1 d . . .
H12A H 0.1162 0.5241 -0.0586 0.157 Uiso 1 1 calc R . .
O800 O 0.0514(2) 0.1831(2) 0.3241(3) 0.0567(11) Uani 1 1 d . . .
N1 N 0.2910(2) 0.36015(17) 0.0333(2) 0.0346(10) Uani 1 1 d . . .
N2 N 0.0695(2) 0.2105(2) 0.0174(2) 0.0351(10) Uani 1 1 d . F .
N3 N 0.0840(2) 0.2422(2) 0.2090(3) 0.0385(10) Uani 1 1 d . . .
H3 H 0.0828 0.2222 0.2508 0.046 Uiso 1 1 calc R F .
N4 N 0.0906(2) 0.3877(2) 0.0006(3) 0.0418(11) Uani 1 1 d . . .
H4A H 0.1053 0.4118 -0.0291 0.050 Uiso 1 1 calc R F .
N100 N 0.3842(2) 0.3369(2) 0.1495(2) 0.0392(10) Uani 1 1 d . . .
N110 N 0.3585(2) 0.41751(19) -0.0708(2) 0.0400(11) Uani 1 1 d . . .
C1 C 0.2542(2) 0.3962(2) 0.0524(3) 0.0364(12) Uani 1 1 d . F .
C2 C 0.2668(3) 0.4607(2) 0.0688(3) 0.0391(13) Uani 1 1 d . . .
C3 C 0.2226(3) 0.4982(3) 0.0731(3) 0.0472(14) Uani 1 1 d . F .
H3A H 0.1874 0.4814 0.0657 0.057 Uiso 1 1 calc R . .
C4 C 0.2291(3) 0.5595(3) 0.0878(4) 0.0531(16) Uani 1 1 d . . .
H4 H 0.1987 0.5844 0.0901 0.064 Uiso 1 1 calc R F .
C5 C 0.2800(3) 0.5834(3) 0.0988(4) 0.0537(17) Uani 1 1 d . F .
H5 H 0.2850 0.6252 0.1091 0.064 Uiso 1 1 calc R . .
C6 C 0.3240(3) 0.5476(2) 0.0952(3) 0.0465(14) Uani 1 1 d . . .
H6 H 0.3590 0.5650 0.1034 0.056 Uiso 1 1 calc R F .
C7 C 0.3185(3) 0.4852(2) 0.0794(3) 0.0411(13) Uani 1 1 d . F .
C8 C 0.0359(2) 0.1672(2) -0.0100(3) 0.0354(11) Uani 1 1 d . . .
C9 C -0.0217(2) 0.1739(2) -0.0082(3) 0.0358(11) Uani 1 1 d . F .
C10 C -0.0538(2) 0.1224(3) -0.0227(3) 0.0389(12) Uani 1 1 d . . .
H10 H -0.0373 0.0852 -0.0317 0.047 Uiso 1 1 calc R F .
C11 C -0.1088(3) 0.1241(3) -0.0241(3) 0.0453(14) Uani 1 1 d . F .
H11 H -0.1298 0.0885 -0.0332 0.054 Uiso 1 1 calc R . .
C12 C -0.1332(3) 0.1791(3) -0.0119(3) 0.0454(14) Uani 1 1 d . . .
H12 H -0.1710 0.1810 -0.0130 0.055 Uiso 1 1 calc R F .
C13 C -0.1026(2) 0.2301(3) 0.0015(3) 0.0415(13) Uani 1 1 d . F .
H13 H -0.1200 0.2672 0.0085 0.050 Uiso 1 1 calc R . .
C14 C -0.0463(3) 0.2296(2) 0.0053(3) 0.0398(13) Uani 1 1 d . . .
C15 C 0.1300(3) 0.2578(2) 0.1913(3) 0.0404(13) Uani 1 1 d . F .
C16 C 0.1805(2) 0.2481(2) 0.2429(3) 0.0331(11) Uani 1 1 d . . .
C17 C 0.1811(3) 0.2498(3) 0.3205(3) 0.0427(13) Uani 1 1 d . F .
H17 H 0.1483 0.2556 0.3392 0.051 Uiso 1 1 calc R . .
C18 C 0.2287(3) 0.2431(3) 0.3705(3) 0.0479(15) Uani 1 1 d . . .
H18 H 0.2290 0.2457 0.4231 0.058 Uiso 1 1 calc R F .
C19 C 0.2762(3) 0.2326(3) 0.3419(3) 0.0488(15) Uani 1 1 d . F .
H19 H 0.3089 0.2268 0.3755 0.059 Uiso 1 1 calc R . .
C20 C 0.2762(3) 0.2305(3) 0.2668(3) 0.0431(13) Uani 1 1 d . . .
H20 H 0.3092 0.2228 0.2493 0.052 Uiso 1 1 calc R F .
C21 C 0.2291(2) 0.2392(2) 0.2137(3) 0.0367(12) Uani 1 1 d . F .
C22 C 0.0658(3) 0.4098(2) 0.0521(3) 0.0417(13) Uani 1 1 d . F .
C23 C 0.0621(3) 0.4756(3) 0.0642(4) 0.0521(16) Uani 1 1 d . . .
C24 C 0.0438(5) 0.4957(4) 0.1274(6) 0.089(3) Uani 1 1 d . F .
H24 H 0.0352 0.4672 0.1629 0.107 Uiso 1 1 calc R . .
C25 C 0.0375(6) 0.5557(5) 0.1403(8) 0.123(5) Uani 1 1 d . . .
H25 H 0.0247 0.5683 0.1845 0.148 Uiso 1 1 calc R F .
C26 C 0.0495(5) 0.5976(4) 0.0905(7) 0.105(4) Uani 1 1 d . F .
H26 H 0.0447 0.6393 0.0995 0.126 Uiso 1 1 calc R . .
C27 C 0.0679(5) 0.5796(3) 0.0292(6) 0.090(3) Uani 1 1 d . . .
H27 H 0.0765 0.6091 -0.0050 0.108 Uiso 1 1 calc R F .
C28 C 0.0752(4) 0.5181(3) 0.0134(5) 0.071(2) Uani 1 1 d . F .
C100 C 0.4128(3) 0.2871(3) 0.1641(3) 0.0473(15) Uani 1 1 d . F .
H100 H 0.4239 0.2657 0.1237 0.057 Uiso 1 1 calc R . .
C101 C 0.4271(3) 0.2651(4) 0.2362(4) 0.0555(17) Uani 1 1 d . . .
H101 H 0.4482 0.2295 0.2451 0.067 Uiso 1 1 calc R F .
C102 C 0.4104(3) 0.2953(4) 0.2946(3) 0.065(2) Uani 1 1 d . F .
H102 H 0.4204 0.2815 0.3447 0.079 Uiso 1 1 calc R . .
C103 C 0.3789(3) 0.3460(3) 0.2790(4) 0.0618(19) Uani 1 1 d . . .
H103 H 0.3655 0.3670 0.3180 0.074 Uiso 1 1 calc R F .
C104 C 0.3673(3) 0.3654(3) 0.2069(3) 0.0526(16) Uani 1 1 d . F .
H104 H 0.3462 0.4008 0.1966 0.063 Uiso 1 1 calc R . .
C110 C 0.3905(3) 0.4623(2) -0.0846(3) 0.0461(14) Uani 1 1 d . F .
H110 H 0.4171 0.4764 -0.0449 0.055 Uiso 1 1 calc R . .
C111 C 0.3870(4) 0.4892(3) -0.1541(4) 0.063(2) Uani 1 1 d . . .
H111 H 0.4110 0.5206 -0.1624 0.076 Uiso 1 1 calc R F .
C112 C 0.3475(4) 0.4693(3) -0.2116(4) 0.074(3) Uani 1 1 d . F .
H112 H 0.3433 0.4875 -0.2597 0.089 Uiso 1 1 calc R . .
C113 C 0.3149(4) 0.4231(3) -0.1976(4) 0.073(2) Uani 1 1 d . . .
H113 H 0.2884 0.4080 -0.2367 0.088 Uiso 1 1 calc R F .
C114 C 0.3204(3) 0.3979(3) -0.1261(3) 0.0526(16) Uani 1 1 d . F .
H114 H 0.2967 0.3665 -0.1165 0.063 Uiso 1 1 calc R . .
N200 N 0.1928(5) 0.4964(4) 0.3267(5) 0.046(2) Uani 0.50 1 d PD A 1
C200 C 0.2292(7) 0.4647(6) 0.3743(9) 0.058(4) Uani 0.50 1 d PD A 1
H200 H 0.2412 0.4809 0.4228 0.070 Uiso 0.50 1 calc PR A 1
C201 C 0.2500(8) 0.4101(7) 0.3565(10) 0.054(4) Uani 0.50 1 d PD A 1
H201 H 0.2721 0.3864 0.3931 0.064 Uiso 0.50 1 calc PR A 1
C202 C 0.2375(8) 0.3920(8) 0.2843(9) 0.058(6) Uani 0.50 1 d PD A 1
H202 H 0.2528 0.3558 0.2692 0.069 Uiso 0.50 1 calc PR A 1
C203 C 0.2039(6) 0.4242(6) 0.2331(7) 0.044(3) Uani 0.50 1 d PD A 1
H203 H 0.1962 0.4114 0.1823 0.053 Uiso 0.50 1 calc PR A 1
C204 C 0.1813(4) 0.4753(4) 0.2558(5) 0.033(2) Uani 0.50 1 d PD A 1
H204 H 0.1565 0.4971 0.2204 0.040 Uiso 0.50 1 calc PR A 1
O830 O 0.0671(6) 0.4191(5) 0.3420(7) 0.090(4) Uani 0.50 1 d P B 1
H830 H 0.0352 0.4150 0.3493 0.135 Uiso 0.50 1 calc PR B 1
C830 C 0.0875(13) 0.3680(7) 0.3355(13) 0.139(13) Uani 0.50 1 d P B 1
H83A H 0.1264 0.3699 0.3531 0.208 Uiso 0.50 1 calc PR B 1
H83B H 0.0808 0.3557 0.2827 0.208 Uiso 0.50 1 calc PR B 1
H83C H 0.0712 0.3386 0.3656 0.208 Uiso 0.50 1 calc PR B 1
N210 N 0.1701(9) 0.4444(10) 0.3675(9) 0.144(8) Uani 0.50 1 d PDU C 2
C210 C 0.2239(10) 0.4346(11) 0.3827(10) 0.111(8) Uani 0.50 1 d PDU C 2
H210 H 0.2419 0.4432 0.4319 0.134 Uiso 0.50 1 calc PR C 2
C211 C 0.2538(10) 0.4130(14) 0.3314(13) 0.100(8) Uani 0.50 1 d PDU C 2
H211 H 0.2915 0.4069 0.3446 0.119 Uiso 0.50 1 calc PR C 2
C212 C 0.2281(11) 0.4007(15) 0.2620(15) 0.095(8) Uani 0.50 1 d PDU C 2
H212 H 0.2476 0.3829 0.2268 0.114 Uiso 0.50 1 calc PR C 2
C213 C 0.1756(13) 0.4129(13) 0.2409(11) 0.140(10) Uani 0.50 1 d PDU C 2
H213 H 0.1588 0.4093 0.1900 0.167 Uiso 0.50 1 calc PR C 2
C214 C 0.1471(10) 0.4309(15) 0.2962(12) 0.178(11) Uani 0.50 1 d PDU C 2
H214 H 0.1091 0.4340 0.2836 0.214 Uiso 0.50 1 calc PR C 2
O820 O 0.0000 0.3571(6) 0.2500 0.145(5) Uani 1 2 d S D 2
N600 N 0.0136(4) 0.0556(4) 0.2841(5) 0.090(3) Uani 0.50 1 d P . 1
C600 C 0.0136(4) 0.0556(4) 0.2841(5) 0.090(3) Uani 0.50 1 d P . 2
H600 H 0.0246 0.0925 0.3086 0.108 Uiso 0.50 1 calc PR . 2
C601 C 0.0260(4) 0.0007(5) 0.3202(5) 0.092(3) Uani 1 1 d . . .
H601 H 0.0440 0.0004 0.3707 0.111 Uiso 1 1 calc R . 1
C602 C 0.0131(4) -0.0518(4) 0.2850(6) 0.088(3) Uani 1 1 d . . .
H602 H 0.0228 -0.0889 0.3100 0.106 Uiso 1 1 calc R . .
C810 C 0.0934(5) 0.4052(5) -0.1866(7) 0.052(3) Uani 0.50 1 d PD E 1
H81A H 0.0676 0.3759 -0.1726 0.078 Uiso 0.50 1 calc PR E 1
H81B H 0.1048 0.3926 -0.2336 0.078 Uiso 0.50 1 calc PR E 1
H81C H 0.0763 0.4450 -0.1934 0.078 Uiso 0.50 1 calc PR E 1
O810 O 0.1381(3) 0.4083(3) -0.1301(4) 0.0422(19) Uani 0.50 1 d PD E 1
H810 H 0.1589 0.4356 -0.1403 0.063 Uiso 0.50 1 calc PR E 1
O510 O 0.1770(6) 0.3005(6) -0.0974(7) 0.022(2) Uani 0.50 1 d P F 1
C500 C 0.1695(8) 0.3651(7) -0.1335(10) 0.078(4) Uani 0.50 1 d PDU F 2
H50A H 0.1305 0.3724 -0.1435 0.116 Uiso 0.50 1 calc PR F 2
H50B H 0.1841 0.3684 -0.1805 0.116 Uiso 0.50 1 calc PR F 2
H50C H 0.1867 0.3951 -0.0976 0.116 Uiso 0.50 1 calc PR F 2
O500 O 0.1800(12) 0.3046(10) -0.1022(14) 0.078(4) Uani 0.50 1 d PDU F 2
H500 H 0.1506 0.2875 -0.0992 0.116 Uiso 0.50 1 calc PR F 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ga Ga -1.2846 0.7763 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -9.8046 9.8477 '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 O9 98.37(13) . .
O1 Dy1 O2 67.16(13) . .
O9 Dy1 O2 79.71(13) . .
O1 Dy1 O2 134.72(13) . 7
O9 Dy1 O2 81.28(13) . 7
O2 Dy1 O2 68.30(13) . 7
O1 Dy1 O5 150.96(14) . .
O9 Dy1 O5 95.59(13) . .
O2 Dy1 O5 140.84(12) . .
O2 Dy1 O5 72.56(13) 7 .
O1 Dy1 O510 88.7(4) . .
O9 Dy1 O510 151.8(3) . .
O2 Dy1 O510 78.0(4) . .
O2 Dy1 O510 74.6(3) 7 .
O5 Dy1 O510 90.9(4) . .
O1 Dy1 O7 86.87(13) . .
O9 Dy1 O7 71.09(13) . .
O2 Dy1 O7 137.43(12) . .
O2 Dy1 O7 133.50(12) 7 .
O5 Dy1 O7 73.77(12) . .
O510 Dy1 O7 136.9(4) . .
O1 Dy1 O500 86.7(6) . .
O9 Dy1 O500 150.8(7) . .
O2 Dy1 O500 75.8(7) . .
O2 Dy1 O500 75.0(5) 7 .
O5 Dy1 O500 93.4(7) . .
O510 Dy1 O500 2.5(11) . .
O7 Dy1 O500 138.1(7) . .
O1 Dy1 O11 80.30(13) . .
O9 Dy1 O11 135.12(13) . .
O2 Dy1 O11 136.43(12) . .
O2 Dy1 O11 130.61(12) 7 .
O5 Dy1 O11 71.87(12) . .
O510 Dy1 O11 72.9(3) . .
O7 Dy1 O11 64.03(12) . .
O500 Dy1 O11 74.1(7) . .
O1 Dy1 Dy1 100.99(10) . 7
O9 Dy1 Dy1 78.49(10) . 7
O2 Dy1 Dy1 34.15(8) . 7
O2 Dy1 Dy1 34.14(9) 7 7
O5 Dy1 Dy1 106.69(9) . 7
O510 Dy1 Dy1 73.3(3) . 7
O7 Dy1 Dy1 149.40(9) . 7
O500 Dy1 Dy1 72.3(6) . 7
O11 Dy1 Dy1 146.19(9) . 7
O6 Ga1 O8 92.66(17) . .
O6 Ga1 O10 92.81(17) . .
O8 Ga1 O10 93.90(17) . .
O6 Ga1 O11 108.07(17) . .
O8 Ga1 O11 158.95(16) . .
O10 Ga1 O11 81.73(16) . .
O6 Ga1 N2 90.06(18) . .
O8 Ga1 N2 99.97(17) . .
O10 Ga1 N2 165.70(18) . .
O11 Ga1 N2 84.06(16) . .
O6 Ga1 O7 171.48(15) . .
O8 Ga1 O7 79.62(15) . .
O10 Ga1 O7 91.32(15) . .
O11 Ga1 O7 79.91(15) . .
N2 Ga1 O7 87.76(17) . .
O3 Ga2 O4 94.96(17) . 7
O3 Ga2 O5 175.80(17) . 7
O4 Ga2 O5 81.18(15) 7 7
O3 Ga2 N1 94.17(17) . .
O4 Ga2 N1 170.50(15) 7 .
O5 Ga2 N1 89.77(15) 7 .
O3 Ga2 N110 89.15(17) . .
O4 Ga2 N110 88.72(18) 7 .
O5 Ga2 N110 89.11(15) 7 .
N1 Ga2 N110 94.03(19) . .
O3 Ga2 N100 90.91(17) . .
O4 Ga2 N100 87.53(17) 7 .
O5 Ga2 N100 90.58(16) 7 .
N1 Ga2 N100 89.70(18) . .
N110 Ga2 N100 176.2(2) . .
C1 O1 Dy1 120.3(3) . .
N1 O2 Dy1 117.8(3) . .
N1 O2 Dy1 129.8(3) . 7
Dy1 O2 Dy1 111.71(13) . 7
C7 O3 Ga2 124.3(3) . .
C8 O4 Ga2 112.3(3) . 7
N2 O5 Ga2 111.5(3) . 7
N2 O5 Dy1 120.7(3) . .
Ga2 O5 Dy1 127.34(18) 7 .
C14 O6 Ga1 124.2(4) . .
C15 O7 Ga1 111.0(4) . .
C15 O7 Dy1 133.2(4) . .
Ga1 O7 Dy1 102.91(14) . .
N3 O8 Ga1 110.7(3) . .
C21 O9 Dy1 137.9(4) . .
C22 O10 Ga1 111.9(4) . .
N4 O11 Ga1 107.8(3) . .
N4 O11 Dy1 116.7(3) . .
Ga1 O11 Dy1 100.83(13) . .
C28 O12 H12A 109.5 . .
C1 N1 O2 113.8(5) . .
C1 N1 Ga2 127.3(4) . .
O2 N1 Ga2 118.1(3) . .
C8 N2 O5 114.6(4) . .
C8 N2 Ga1 128.1(4) . .
O5 N2 Ga1 117.2(3) . .
C15 N3 O8 119.8(4) . .
C15 N3 H3 120.1 . .
O8 N3 H3 120.1 . .
C22 N4 O11 119.3(5) . .
C22 N4 H4A 120.4 . .
O11 N4 H4A 120.4 . .
C100 N100 C104 118.0(5) . .
C100 N100 Ga2 122.7(4) . .
C104 N100 Ga2 119.2(4) . .
C110 N110 C114 119.0(5) . .
C110 N110 Ga2 120.1(4) . .
C114 N110 Ga2 120.9(4) . .
O1 C1 N1 120.9(5) . .
O1 C1 C2 118.9(5) . .
N1 C1 C2 120.2(5) . .
C7 C2 C3 119.5(5) . .
C7 C2 C1 124.6(5) . .
C3 C2 C1 115.9(6) . .
C4 C3 C2 121.4(7) . .
C4 C3 H3A 119.3 . .
C2 C3 H3A 119.3 . .
C5 C4 C3 118.9(6) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
C6 C5 C4 120.8(5) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 121.4(6) . .
C5 C6 H6 119.3 . .
C7 C6 H6 119.3 . .
O3 C7 C2 125.9(5) . .
O3 C7 C6 116.0(6) . .
C2 C7 C6 118.0(6) . .
O4 C8 N2 120.3(5) . .
O4 C8 C9 120.1(5) . .
N2 C8 C9 119.6(5) . .
C10 C9 C14 119.2(5) . .
C10 C9 C8 117.2(5) . .
C14 C9 C8 123.6(5) . .
C11 C10 C9 121.8(6) . .
C11 C10 H10 119.1 . .
C9 C10 H10 119.1 . .
C10 C11 C12 119.0(6) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C13 C12 C11 120.1(6) . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 122.3(6) . .
C12 C13 H13 118.8 . .
C14 C13 H13 118.8 . .
O6 C14 C13 117.3(5) . .
O6 C14 C9 125.2(6) . .
C13 C14 C9 117.5(5) . .
N3 C15 O7 117.6(5) . .
N3 C15 C16 121.4(5) . .
O7 C15 C16 120.9(5) . .
C17 C16 C21 120.4(5) . .
C17 C16 C15 120.0(5) . .
C21 C16 C15 119.5(4) . .
C18 C17 C16 121.1(6) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C19 118.5(5) . .
C17 C18 H18 120.7 . .
C19 C18 H18 120.7 . .
C20 C19 C18 121.0(6) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 122.5(6) . .
C19 C20 H20 118.8 . .
C21 C20 H20 118.8 . .
O9 C21 C20 120.6(6) . .
O9 C21 C16 123.0(5) . .
C20 C21 C16 116.4(5) . .
O10 C22 N4 119.2(5) . .
O10 C22 C23 119.1(6) . .
N4 C22 C23 121.7(6) . .
C24 C23 C28 118.3(7) . .
C24 C23 C22 118.7(7) . .
C28 C23 C22 123.0(7) . .
C25 C24 C23 121.6(10) . .
C25 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
C26 C25 C24 120.6(11) . .
C26 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
C27 C26 C25 119.3(8) . .
C27 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
C26 C27 C28 122.3(9) . .
C26 C27 H27 118.9 . .
C28 C27 H27 118.9 . .
O12 C28 C23 119.3(6) . .
O12 C28 C27 122.7(8) . .
C23 C28 C27 118.0(9) . .
N100 C100 C101 122.2(6) . .
N100 C100 H100 118.9 . .
C101 C100 H100 118.9 . .
C102 C101 C100 119.2(7) . .
C102 C101 H101 120.4 . .
C100 C101 H101 120.4 . .
C101 C102 C103 118.6(6) . .
C101 C102 H102 120.7 . .
C103 C102 H102 120.7 . .
C104 C103 C102 118.8(7) . .
C104 C103 H103 120.6 . .
C102 C103 H103 120.6 . .
N100 C104 C103 123.1(7) . .
N100 C104 H104 118.4 . .
C103 C104 H104 118.4 . .
N110 C110 C111 122.8(6) . .
N110 C110 H110 118.6 . .
C111 C110 H110 118.6 . .
C110 C111 C112 118.5(6) . .
C110 C111 H111 120.8 . .
C112 C111 H111 120.8 . .
C113 C112 C111 118.7(6) . .
C113 C112 H112 120.7 . .
C111 C112 H112 120.7 . .
C112 C113 C114 120.2(7) . .
C112 C113 H113 119.9 . .
C114 C113 H113 119.9 . .
N110 C114 C113 120.8(6) . .
N110 C114 H114 119.6 . .
C113 C114 H114 119.6 . .
C200 N200 C204 116.4(10) . .
N200 C200 C201 123.6(12) . .
N200 C200 H200 118.2 . .
C201 C200 H200 118.2 . .
C202 C201 C200 116.7(12) . .
C202 C201 H201 121.7 . .
C200 C201 H201 121.7 . .
C203 C202 C201 121.7(13) . .
C203 C202 H202 119.1 . .
C201 C202 H202 119.1 . .
C202 C203 C204 118.6(11) . .
C202 C203 H203 120.7 . .
C204 C203 H203 120.7 . .
N200 C204 C203 122.6(10) . .
N200 C204 H204 118.7 . .
C203 C204 H204 118.7 . .
C210 N210 C214 114.6(16) . .
N210 C210 C211 124.0(16) . .
N210 C210 H210 118.0 . .
C211 C210 H210 118.0 . .
C212 C211 C210 117.8(18) . .
C212 C211 H211 121.1 . .
C210 C211 H211 121.1 . .
C213 C212 C211 122(2) . .
C213 C212 H212 119.1 . .
C211 C212 H212 119.1 . .
C212 C213 C214 117.1(17) . .
C212 C213 H213 121.4 . .
C214 C213 H213 121.4 . .
N210 C214 C213 124.0(17) . .
N210 C214 H214 118.0 . .
C213 C214 H214 118.0 . .
C600 N600 C601 119.0(5) 2 .
C602 C601 N600 121.2(8) . .
C602 C601 H601 119.4 . .
N600 C601 H601 119.4 . .
C602 C602 C601 119.8(6) 2 .
C602 C602 H602 120.1 2 .
C601 C602 H602 120.1 . .
O500 C500 H50A 109.5 . .
O500 C500 H50B 109.5 . .
H50A C500 H50B 109.5 . .
O500 C500 H50C 109.5 . .
H50A C500 H50C 109.5 . .
H50B C500 H50C 109.5 . .
C500 O500 Dy1 124.8(16) . .
C500 O500 H500 109.5 . .
Dy1 O500 H500 75.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.268(3) .
Dy1 O9 2.309(3) .
Dy1 O2 2.319(4) .
Dy1 O2 2.320(3) 7
Dy1 O5 2.328(3) .
Dy1 O510 2.365(11) .
Dy1 O7 2.403(4) .
Dy1 O500 2.48(2) .
Dy1 O11 2.530(4) .
Dy1 Dy1 3.8393(7) 7
Ga1 O6 1.891(4) .
Ga1 O8 1.959(4) .
Ga1 O10 1.978(4) .
Ga1 O11 2.001(4) .
Ga1 N2 2.015(5) .
Ga1 O7 2.074(4) .
Ga2 O3 1.886(4) .
Ga2 O4 1.956(4) 7
Ga2 O5 1.964(4) 7
Ga2 N1 1.973(5) .
Ga2 N110 2.143(4) .
Ga2 N100 2.173(4) .
O1 C1 1.285(7) .
O2 N1 1.389(5) .
O2 Dy1 2.320(3) 7
O3 C7 1.335(7) .
O4 C8 1.295(7) .
O4 Ga2 1.956(4) 7
O5 N2 1.379(6) .
O5 Ga2 1.964(4) 7
O6 C14 1.332(7) .
O7 C15 1.299(7) .
O8 N3 1.376(6) .
O9 C21 1.314(6) .
O10 C22 1.291(7) .
O11 N4 1.378(6) .
O12 C28 1.328(11) .
O12 H12A 0.8400 .
N1 C1 1.311(7) .
N2 C8 1.320(7) .
N3 C15 1.297(8) .
N3 H3 0.8800 .
N4 C22 1.300(8) .
N4 H4A 0.8800 .
N100 C100 1.322(8) .
N100 C104 1.341(8) .
N110 C110 1.327(8) .
N110 C114 1.341(8) .
C1 C2 1.487(7) .
C2 C7 1.392(9) .
C2 C3 1.402(9) .
C3 C4 1.388(8) .
C3 H3A 0.9500 .
C4 C5 1.373(10) .
C4 H4 0.9500 .
C5 C6 1.372(10) .
C5 H5 0.9500 .
C6 C7 1.414(8) .
C6 H6 0.9500 .
C8 C9 1.464(8) .
C9 C10 1.399(8) .
C9 C14 1.418(8) .
C10 C11 1.382(9) .
C10 H10 0.9500 .
C11 C12 1.397(9) .
C11 H11 0.9500 .
C12 C13 1.367(9) .
C12 H12 0.9500 .
C13 C14 1.408(9) .
C13 H13 0.9500 .
C15 C16 1.465(8) .
C16 C17 1.400(7) .
C16 C21 1.423(8) .
C17 C18 1.386(9) .
C17 H17 0.9500 .
C18 C19 1.396(10) .
C18 H18 0.9500 .
C19 C20 1.359(9) .
C19 H19 0.9500 .
C20 C21 1.411(8) .
C20 H20 0.9500 .
C22 C23 1.479(8) .
C23 C24 1.374(11) .
C23 C28 1.393(11) .
C24 C25 1.364(12) .
C24 H24 0.9500 .
C25 C26 1.361(18) .
C25 H25 0.9500 .
C26 C27 1.330(16) .
C26 H26 0.9500 .
C27 C28 1.411(11) .
C27 H27 0.9500 .
C100 C101 1.382(8) .
C100 H100 0.9500 .
C101 C102 1.372(12) .
C101 H101 0.9500 .
C102 C103 1.379(12) .
C102 H102 0.9500 .
C103 C104 1.358(9) .
C103 H103 0.9500 .
C104 H104 0.9500 .
C110 C111 1.380(9) .
C110 H110 0.9500 .
C111 C112 1.387(11) .
C111 H111 0.9500 .
C112 C113 1.361(11) .
C112 H112 0.9500 .
C113 C114 1.392(9) .
C113 H113 0.9500 .
C114 H114 0.9500 .
N200 C200 1.347(14) .
N200 C204 1.349(11) .
C200 C201 1.378(15) .
C200 H200 0.9500 .
C201 C202 1.352(15) .
C201 H201 0.9500 .
C202 C203 1.351(16) .
C202 H202 0.9500 .
C203 C204 1.363(15) .
C203 H203 0.9500 .
C204 H204 0.9500 .
O830 C830 1.257(19) .
O830 H830 0.8400 .
C830 H83A 0.9800 .
C830 H83B 0.9800 .
C830 H83C 0.9800 .
N210 C210 1.352(16) .
N210 C214 1.357(16) .
C210 C211 1.372(17) .
C210 H210 0.9500 .
C211 C212 1.343(17) .
C211 H211 0.9500 .
C212 C213 1.340(17) .
C212 H212 0.9500 .
C213 C214 1.381(18) .
C213 H213 0.9500 .
C214 H214 0.9500 .
N600 C600 1.307(16) 2
N600 C601 1.393(13) .
C601 C602 1.341(14) .
C601 H601 0.9500 .
C602 C602 1.33(2) 2
C602 H602 0.9500 .
C810 O810 1.393(13) .
C810 H81A 0.9800 .
C810 H81B 0.9800 .
C810 H81C 0.9800 .
O810 H810 0.8400 .
C500 O500 1.465(17) .
C500 H50A 0.9800 .
C500 H50B 0.9800 .
C500 H50C 0.9800 .
O500 H500 0.8400 .
