_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'

_cell_length_a                   9.5271(2)
_cell_length_b                   14.3254(3)
_cell_length_c                   21.5561(5)
_cell_volume                     2941.97(11)
_cell_formula_units_Z            4

_diffrn_ambient_temperature      110
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073

_refine_ls_number_parameters     363
_refine_ls_number_reflns         5795
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0183

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy Dy 0.11374(2) 0.50264(2) 0.66823(2) 0.01482(5) Uani 1 1 d . . . . .
O O 0.2419(3) 0.64767(18) 0.65967(14) 0.0244(6) Uani 1 1 d . U . . .
N1 N 0.3200(4) 0.4303(2) 0.63114(15) 0.0176(7) Uani 1 1 d . . . . .
N2 N 0.1628(3) 0.4786(2) 0.56016(14) 0.0179(7) Uani 1 1 d . . . . .
C1 C 0.4617(4) 0.4015(3) 0.64967(17) 0.0178(8) Uani 1 1 d . . . . .
H1 H 0.530515 0.428968 0.619767 0.021 Uiso 1 1 calc R . . . .
C2 C 0.4837(4) 0.2961(3) 0.65160(16) 0.0177(8) Uani 1 1 d . . . . .
C3 C 0.6084(5) 0.2581(3) 0.62823(17) 0.0204(8) Uani 1 1 d . . . . .
H3 H 0.674492 0.297402 0.608035 0.024 Uiso 1 1 calc R . . . .
C4 C 0.6360(4) 0.1634(3) 0.63441(19) 0.0236(9) Uani 1 1 d . . . . .
H4 H 0.721500 0.138437 0.618937 0.028 Uiso 1 1 calc R . . . .
C5 C 0.5395(4) 0.1052(3) 0.6630(2) 0.0249(8) Uani 1 1 d . . . . .
H5 H 0.559137 0.040489 0.667400 0.030 Uiso 1 1 calc R . . . .
C6 C 0.4151(5) 0.1413(3) 0.68515(19) 0.0268(10) Uani 1 1 d . . . . .
H6 H 0.348109 0.101210 0.704008 0.032 Uiso 1 1 calc R . . . .
C7 C 0.3873(5) 0.2367(3) 0.67989(19) 0.0220(8) Uani 1 1 d . . . . .
H7 H 0.301865 0.261255 0.695740 0.026 Uiso 1 1 calc R . . . .
C8 C 0.4909(5) 0.4422(3) 0.71444(19) 0.0235(9) Uani 1 1 d . . . . .
H8A H 0.476475 0.509947 0.713616 0.035 Uiso 1 1 calc GR . . . .
H8B H 0.588108 0.428697 0.726336 0.035 Uiso 1 1 calc GR . . . .
H8C H 0.426827 0.413976 0.744638 0.035 Uiso 1 1 calc GR . . . .
C9 C 0.2881(4) 0.4418(2) 0.57132(17) 0.0148(8) Uani 1 1 d . . . . .
C10 C 0.3906(4) 0.4154(2) 0.52144(16) 0.0169(7) Uani 1 1 d . . . . .
C11 C 0.4064(4) 0.3221(3) 0.50366(18) 0.0215(8) Uani 1 1 d . . . . .
H11 H 0.348300 0.275376 0.521526 0.026 Uiso 1 1 calc R . . . .
C12 C 0.5067(5) 0.2977(3) 0.46001(19) 0.0268(9) Uani 1 1 d . . . . .
H12 H 0.517671 0.234076 0.448488 0.032 Uiso 1 1 calc R . . . .
C13 C 0.5908(5) 0.3650(3) 0.4331(2) 0.0300(10) Uani 1 1 d . . . . .
H13 H 0.658315 0.347717 0.402760 0.036 Uiso 1 1 calc R . . . .
C14 C 0.5770(5) 0.4572(3) 0.4503(2) 0.0304(10) Uani 1 1 d . . . . .
H14 H 0.635255 0.503484 0.432015 0.036 Uiso 1 1 calc R . . . .
C15 C 0.4771(4) 0.4826(3) 0.49464(19) 0.0234(10) Uani 1 1 d . . . . .
H15 H 0.468052 0.546156 0.506591 0.028 Uiso 1 1 calc R . . . .
C16 C 0.1176(3) 0.5013(4) 0.49683(13) 0.0182(5) Uani 1 1 d . . . . .
H16 H 0.174348 0.463386 0.467014 0.022 Uiso 1 1 calc R . . . .
C17 C 0.1417(4) 0.6042(3) 0.48305(17) 0.0183(8) Uani 1 1 d . . . . .
C18 C 0.0756(4) 0.6721(3) 0.51925(18) 0.0195(8) Uani 1 1 d . . . . .
H18 H 0.013950 0.653675 0.551639 0.023 Uiso 1 1 calc R . . . .
C19 C 0.0992(5) 0.7664(3) 0.50836(19) 0.0243(8) Uani 1 1 d . . . . .
H19 H 0.053718 0.812029 0.533253 0.029 Uiso 1 1 calc R . . . .
C20 C 0.1896(5) 0.7942(3) 0.4609(2) 0.0270(10) Uani 1 1 d . . . . .
H20 H 0.206559 0.858632 0.453522 0.032 Uiso 1 1 calc R . . . .
C21 C 0.2541(5) 0.7276(3) 0.4247(2) 0.0263(9) Uani 1 1 d . . . . .
H21 H 0.315072 0.746148 0.392108 0.032 Uiso 1 1 calc R . . . .
C22 C 0.2305(4) 0.6332(3) 0.43575(19) 0.0215(8) Uani 1 1 d . . . . .
H22 H 0.275722 0.587865 0.410526 0.026 Uiso 1 1 calc R . . . .
C23 C -0.0371(4) 0.4757(3) 0.4888(2) 0.0239(9) Uani 1 1 d . . . . .
H23A H -0.048881 0.408219 0.494352 0.036 Uiso 1 1 calc GR . . . .
H23B H -0.068189 0.493412 0.447093 0.036 Uiso 1 1 calc GR . . . .
H23C H -0.093337 0.508932 0.519769 0.036 Uiso 1 1 calc GR . . . .
C24 C -0.0732(4) 0.3720(3) 0.6744(2) 0.0239(9) Uani 1 1 d . . . . .
H24 H -0.098006 0.318578 0.650638 0.029 Uiso 1 1 calc R . . . .
C25 C -0.1461(5) 0.4524(3) 0.6548(2) 0.0236(11) Uani 1 1 d . . . . .
H25 H -0.203955 0.441619 0.619594 0.028 Uiso 1 1 calc R . . . .
C26 C -0.1517(5) 0.5458(3) 0.6762(2) 0.0236(11) Uani 1 1 d . . . . .
H26 H -0.213200 0.583638 0.652209 0.028 Uiso 1 1 calc R . . . .
C27 C -0.0875(5) 0.5953(3) 0.7245(2) 0.0251(9) Uani 1 1 d . . . . .
H27 H -0.117778 0.658435 0.726316 0.030 Uiso 1 1 calc R . . . .
C28 C 0.0110(5) 0.5741(3) 0.77102(19) 0.0267(10) Uani 1 1 d . . . . .
H28 H 0.030902 0.626421 0.796627 0.032 Uiso 1 1 calc R . . . .
C29 C 0.0871(4) 0.4948(5) 0.78889(16) 0.0285(8) Uani 1 1 d . . . . .
H29 H 0.147314 0.506176 0.823178 0.034 Uiso 1 1 calc R . . . .
C30 C 0.0944(5) 0.4018(3) 0.7675(2) 0.0270(9) Uani 1 1 d . . . . .
H30 H 0.159818 0.365103 0.790156 0.032 Uiso 1 1 calc R . . . .
C31 C 0.0267(5) 0.3509(3) 0.7202(2) 0.0255(9) Uani 1 1 d . . . . .
H31 H 0.055539 0.287418 0.718984 0.031 Uiso 1 1 calc R . . . .
C32 C 0.3681(4) 0.6682(3) 0.62429(19) 0.0219(8) Uani 1 1 d . . . . .
H32A H 0.347381 0.669805 0.579295 0.026 Uiso 1 1 calc R . . . .
H32B H 0.441260 0.620523 0.632079 0.026 Uiso 1 1 calc R . . . .
C33 C 0.4156(6) 0.7633(3) 0.6470(3) 0.0370(12) Uani 1 1 d . . . . .
H33A H 0.468829 0.797092 0.614613 0.044 Uiso 1 1 calc R . . . .
H33B H 0.474006 0.757976 0.684818 0.044 Uiso 1 1 calc R . . . .
C34 C 0.2758(5) 0.8111(3) 0.6608(2) 0.0277(9) Uani 1 1 d . U . . .
H34C H 0.222541 0.825669 0.622560 0.033 Uiso 0.5 1 calc R . P A 2
H34D H 0.287564 0.868326 0.685997 0.033 Uiso 0.5 1 calc R . P A 2
H34A H 0.287535 0.858759 0.693635 0.033 Uiso 0.5 1 calc R . P B 1
H34B H 0.238871 0.841906 0.623059 0.033 Uiso 0.5 1 calc R . P B 1
C35A C 0.209(3) 0.731(2) 0.6978(11) 0.031(5) Uani 0.5 1 d . U P C 2
H35A H 0.251715 0.726222 0.739608 0.038 Uiso 0.5 1 calc R . P C 2
H35B H 0.106805 0.740091 0.702050 0.038 Uiso 0.5 1 calc R . P C 2
C35B C 0.180(3) 0.737(2) 0.6815(11) 0.027(4) Uani 0.5 1 d . U P C 1
H35C H 0.085511 0.746521 0.663334 0.032 Uiso 0.5 1 calc R . P C 1
H35D H 0.171623 0.737631 0.727253 0.032 Uiso 0.5 1 calc R . P C 1

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
Dy 0.01436(7) 0.01363(7) 0.01647(7) 0.00067(11) 0.00309(6) -0.00037(12)
O 0.0260(15) 0.0183(13) 0.0289(17) -0.0059(12) 0.0137(13) -0.0029(11)
N1 0.0181(17) 0.0168(15) 0.0180(16) 0.0012(13) 0.0014(13) 0.0009(13)
N2 0.0201(14) 0.018(2) 0.0158(14) 0.0007(11) -0.0006(11) 0.0026(12)
C1 0.0145(19) 0.0202(19) 0.0186(19) -0.0021(15) -0.0019(14) 0.0010(16)
C2 0.020(2) 0.0205(19) 0.0123(18) 0.0013(14) -0.0056(14) 0.0019(17)
C3 0.0184(19) 0.0214(18) 0.0214(18) -0.0015(14) -0.0037(17) -0.0002(18)
C4 0.021(2) 0.0242(19) 0.025(2) -0.0038(16) 0.0001(17) 0.0045(17)
C5 0.033(2) 0.0192(18) 0.023(2) -0.0003(18) -0.0033(19) 0.0067(16)
C6 0.032(3) 0.024(2) 0.024(2) 0.0060(15) 0.0018(17) 0.0005(18)
C7 0.020(2) 0.0249(19) 0.021(2) 0.0031(15) 0.0024(19) 0.0051(19)
C8 0.025(2) 0.023(2) 0.023(2) -0.0031(16) -0.0072(17) -0.0001(17)
C9 0.0165(19) 0.0097(17) 0.0182(19) -0.0002(13) 0.0018(15) -0.0023(14)
C10 0.0158(17) 0.0176(17) 0.0173(17) 0.0007(13) -0.0041(16) 0.0030(17)
C11 0.025(2) 0.0181(17) 0.0211(18) -0.0019(15) -0.0043(17) -0.0005(16)
C12 0.035(3) 0.024(2) 0.022(2) -0.0043(17) -0.0027(18) 0.0103(19)
C13 0.024(2) 0.043(3) 0.023(2) 0.0008(18) 0.0065(17) 0.013(2)
C14 0.024(2) 0.036(2) 0.031(2) 0.0070(19) 0.0095(18) 0.0013(18)
C15 0.0207(17) 0.022(3) 0.0280(18) 0.0018(17) 0.0052(15) 0.0002(16)
C16 0.0186(13) 0.0197(13) 0.0164(13) -0.001(2) -0.0022(13) 0.006(3)
C17 0.014(2) 0.0232(19) 0.0172(18) 0.0014(14) -0.0050(14) 0.0018(15)
C18 0.018(2) 0.023(2) 0.0177(19) 0.0033(15) -0.0014(14) 0.0048(16)
C19 0.026(2) 0.0224(18) 0.024(2) -0.0025(16) -0.0045(19) 0.0053(18)
C20 0.029(2) 0.020(2) 0.032(2) 0.0048(18) -0.0065(19) -0.0036(18)
C21 0.023(2) 0.029(2) 0.027(2) 0.0059(18) -0.0007(17) -0.0031(19)
C22 0.018(2) 0.027(2) 0.019(2) -0.0013(16) -0.0014(16) 0.0029(17)
C23 0.024(2) 0.023(2) 0.0247(19) 0.0008(15) -0.0039(16) -0.0008(15)
C24 0.0185(19) 0.0190(17) 0.034(2) -0.0051(18) 0.0088(17) -0.0075(14)
C25 0.014(2) 0.030(2) 0.026(3) 0.0010(18) 0.0006(18) -0.0042(17)
C26 0.014(2) 0.027(2) 0.030(3) 0.0087(19) 0.0061(19) 0.0027(16)
C27 0.024(2) 0.0197(19) 0.032(2) -0.0008(17) 0.0164(18) 0.0025(17)
C28 0.031(3) 0.031(2) 0.018(2) -0.0050(17) 0.0088(19) -0.004(2)
C29 0.031(2) 0.038(2) 0.0166(14) 0.004(3) 0.0013(13) -0.007(3)
C30 0.023(2) 0.029(2) 0.028(2) 0.0135(17) 0.0029(19) 0.001(2)
C31 0.023(2) 0.019(2) 0.034(2) 0.0069(17) 0.0103(18) -0.0017(17)
C32 0.019(2) 0.0203(18) 0.027(2) -0.0008(15) 0.0062(17) -0.0027(17)
C33 0.034(3) 0.028(2) 0.049(3) -0.011(2) 0.012(2) -0.012(2)
C34 0.034(2) 0.0190(18) 0.030(2) -0.0049(18) 0.002(2) -0.0012(17)
C35A 0.036(12) 0.023(6) 0.036(12) -0.010(7) 0.020(8) -0.003(8)
C35B 0.033(8) 0.017(5) 0.031(11) -0.008(7) 0.004(6) 0.000(5)