_symmetry_cell_setting                  triclinic
_symmetry_space_group_name_H-M         'P -1'

_cell_length_a                          9.680(2)
_cell_length_b                          13.740(3)
_cell_length_c                          14.019(3)
_cell_angle_alpha                       94.732(4)
_cell_angle_beta                        103.090(4)
_cell_angle_gamma                       101.976(4)
_cell_volume                            1760.2(6)
_cell_formula_units_Z                   2

_diffrn_ambient_temperature             100
_diffrn_radiation_type                 'Mo K\a'
_diffrn_radiation_wavelength            0.71073
_diffrn_measurement_device_type        'Rigaku Saturn70'

_refine_ls_number_reflns                8016
_refine_ls_number_parameters            549
_refine_ls_goodness_of_fit_ref          1.419
_atom_sites_solution_hydrogens          geom
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap
_refine_ls_shift/su_max                 0.002
_refine_diff_density_max                2.830
_refine_diff_density_min               -2.190

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
 Cu1 Cu 0.81557(7) 0.91407(5) 0.23338(5) 0.01198(19) Uani 1.0 2 d . . .
 Cu2 Cu 0.69542(8) 0.59545(6) -0.23442(5) 0.0162(2) Uani 1.0 2 d . . .
 Tb1 Tb 0.75594(2) 0.75614(2) -0.00022(2) 0.01093(11) Uani 1.0 2 d . . .
 O1 O 0.7217(5) 1.0093(3) 0.2862(4) 0.0204(11) Uani 1.0 2 d . . .
 O2 O 0.6757(4) 0.8798(3) 0.1056(3) 0.0173(11) Uani 1.0 2 d . . .
 O3 O 0.5952(5) 0.6732(3) -0.1648(3) 0.0147(11) Uani 1.0 2 d . . .
 O4 O 0.5317(5) 0.5326(4) -0.3413(4) 0.0218(12) Uani 1.0 2 d . . .
 O5 O 0.7972(5) 0.5111(4) -0.2931(4) 0.0311(14) Uani 1.0 2 d . . .
 O6 O 0.8504(5) 0.6472(3) -0.1153(3) 0.0187(11) Uani 1.0 2 d . . .
 O7 O 0.9070(4) 0.8232(3) 0.1702(3) 0.0134(10) Uani 1.0 2 d . . .
 O8 O 0.9741(5) 0.9673(3) 0.3465(3) 0.0187(11) Uani 1.0 2 d . . .
 O9 O 0.7458(5) 0.8990(3) -0.0965(3) 0.0226(12) Uani 1.0 2 d . . .
 O10 O 0.9557(5) 0.8688(4) -0.0424(4) 0.0310(14) Uani 1.0 2 d . . .
 O11 O 0.9334(6) 0.9822(4) -0.1407(5) 0.0409(16) Uani 1.0 2 d . . .
 O12 O 0.7436(5) 0.5894(3) 0.0529(4) 0.0270(13) Uani 1.0 2 d . . .
 O13 O 0.5756(5) 0.6607(4) 0.0743(4) 0.0287(14) Uani 1.0 2 d . . .
 O14 O 0.5729(6) 0.5114(4) 0.1155(4) 0.0310(14) Uani 1.0 2 d . . .
 O15 O 0.7595(5) 0.7134(5) -0.3355(5) 0.0463(17) Uani 1.0 2 d . . .
 O16 O 0.6974(6) 0.7986(4) 0.3090(4) 0.0386(16) Uani 1.0 2 d . . .
 O17 O 0.4784(5) 0.8330(4) 0.3933(4) 0.0306(14) Uani 1.0 2 d . . .
 O18 O 0.5879(6) 0.7535(5) 0.4992(4) 0.064(2) Uani 1.0 2 d . . .
 O19 O 0.3606(6) 0.7496(4) 0.4841(4) 0.0461(17) Uani 1.0 2 d . . .
 O20 O 0.0531(15) 0.7481(10) 0.5472(10) 0.188(7) Uani 1.0 2 d . . .
 N1 N 0.4919(5) 0.7913(4) -0.0597(4) 0.0127(12) Uani 1.0 2 d . . .
 N2 N 1.0157(5) 0.7119(4) 0.0616(4) 0.0112(12) Uani 1.0 2 d . . .
 N3 N 0.8821(6) 0.9195(4) -0.0937(5) 0.0205(14) Uani 1.0 2 d . . .
 N4 N 0.6289(6) 0.5835(4) 0.0821(4) 0.0180(13) Uani 1.0 2 d . . .
 N5 N 0.4754(7) 0.7787(5) 0.4615(4) 0.0276(15) Uani 1.0 2 d . . .
 C1 C 0.5202(8) 1.0652(6) 0.3162(6) 0.0279(19) Uani 1.0 2 d . . .
 C2 C 0.5881(7) 1.0058(5) 0.2554(5) 0.0205(16) Uani 1.0 2 d . . .
 C3 C 0.4986(7) 0.9494(5) 0.1638(5) 0.0167(15) Uani 1.0 2 d . . .
 C4 C 0.5454(6) 0.8963(4) 0.0954(5) 0.0136(14) Uani 1.0 2 d . . .
 C5 C 0.4433(6) 0.8536(4) -0.0027(5) 0.0119(14) Uani 1.0 2 d . . .
 C6 C 0.3110(7) 0.8787(5) -0.0331(5) 0.0177(15) Uani 1.0 2 d . . .
 C7 C 0.2221(6) 0.8371(5) -0.1258(5) 0.0178(15) Uani 1.0 2 d . . .
 C8 C 0.2682(7) 0.7726(5) -0.1827(5) 0.0202(16) Uani 1.0 2 d . . .
 C9 C 0.4043(6) 0.7493(5) -0.1484(4) 0.0138(14) Uani 1.0 2 d . . .
 C10 C 0.4628(7) 0.6825(5) -0.2072(5) 0.0148(15) Uani 1.0 2 d . . .
 C11 C 0.3802(7) 0.6346(5) -0.2990(5) 0.0203(16) Uani 1.0 2 d . . .
 C12 C 0.4144(7) 0.5616(5) -0.3619(5) 0.0177(15) Uani 1.0 2 d . . .
 C13 C 0.3102(8) 0.5168(5) -0.4571(5) 0.0264(18) Uani 1.0 2 d . . .
 C14 C 0.9866(8) 0.4405(6) -0.3174(6) 0.030(2) Uani 1.0 2 d . . .
 C15 C 0.9263(8) 0.5045(5) -0.2557(5) 0.0225(17) Uani 1.0 2 d . . .
 C16 C 1.0097(7) 0.5511(5) -0.1614(5) 0.0203(17) Uani 1.0 2 d . . .
 C17 C 0.9689(7) 0.6152(5) -0.0966(5) 0.0153(15) Uani 1.0 2 d . . .
 C18 C 1.0663(6) 0.6520(5) 0.0034(5) 0.0133(14) Uani 1.0 2 d . . .
 C19 C 1.1999(7) 0.6261(5) 0.0348(5) 0.0201(16) Uani 1.0 2 d . . .
 C20 C 1.2822(7) 0.6626(5) 0.1300(5) 0.0208(16) Uani 1.0 2 d . . .
 C21 C 1.2315(7) 0.7228(5) 0.1902(5) 0.0186(16) Uani 1.0 2 d . . .
 C22 C 1.0991(6) 0.7472(5) 0.1537(5) 0.0165(15) Uani 1.0 2 d . . .
 C23 C 1.0388(7) 0.8147(5) 0.2143(5) 0.0149(15) Uani 1.0 2 d . . .
 C24 C 1.1219(7) 0.8608(5) 0.3054(5) 0.0169(15) Uani 1.0 2 d . . .
 C25 C 1.0893(7) 0.9346(5) 0.3676(4) 0.0155(15) Uani 1.0 2 d . . .
 C26 C 1.1979(7) 0.9789(5) 0.4629(5) 0.0229(17) Uani 1.0 2 d . . .
 C27 C 0.8300(12) 0.8020(9) -0.3075(10) 0.095(5) Uani 1.0 2 d . . .
 C28 C 0.7137(9) 0.7016(6) 0.3186(7) 0.042(3) Uani 1.0 2 d . . .
 C29 C 0.0135(7) 0.6644(6) 0.6003(5) 0.0254(18) Uani 1.0 2 d . . .
 H1 H 0.5660 1.1351 0.3213 0.0356 Uiso 1.0 2 calc R . .
 H2 H 0.4183 1.0542 0.2847 0.0355 Uiso 1.0 2 calc R . .
 H3 H 0.5317 1.0454 0.3811 0.0356 Uiso 1.0 2 calc R . .
 H4 H 0.4001 0.9499 0.1487 0.0210 Uiso 1.0 2 calc R . .
 H5 H 0.2829 0.9231 0.0083 0.0219 Uiso 1.0 2 calc R . .
 H6 H 0.1331 0.8535 -0.1487 0.0204 Uiso 1.0 2 calc R . .
 H7 H 0.2094 0.7430 -0.2447 0.0247 Uiso 1.0 2 calc R . .
 H8 H 0.2923 0.6523 -0.3226 0.0232 Uiso 1.0 2 calc R . .
 H9 H 0.2816 0.4455 -0.4578 0.0306 Uiso 1.0 2 calc R . .
 H10 H 0.2256 0.5444 -0.4651 0.0306 Uiso 1.0 2 calc R . .
 H11 H 0.3554 0.5307 -0.5103 0.0306 Uiso 1.0 2 calc R . .
 H12 H 0.9876 0.4670 -0.3786 0.0390 Uiso 1.0 2 calc R . .
 H13 H 1.0843 0.4402 -0.2832 0.0390 Uiso 1.0 2 calc R . .
 H14 H 0.9277 0.3731 -0.3309 0.0389 Uiso 1.0 2 calc R . .
 H15 H 1.1000 0.5361 -0.1393 0.0251 Uiso 1.0 2 calc R . .
 H16 H 1.2333 0.5860 -0.0074 0.0265 Uiso 1.0 2 calc R . .
 H17 H 1.3711 0.6462 0.1539 0.0256 Uiso 1.0 2 calc R . .
 H18 H 1.2853 0.7479 0.2545 0.0226 Uiso 1.0 2 calc R . .
 H19 H 1.2088 0.8416 0.3287 0.0197 Uiso 1.0 2 calc R . .
 H20 H 1.1538 0.9671 0.5170 0.0284 Uiso 1.0 2 calc R . .
 H21 H 1.2796 0.9483 0.4698 0.0282 Uiso 1.0 2 calc R . .
 H22 H 1.2305 1.0498 0.4633 0.0282 Uiso 1.0 2 calc R . .
 H23 H 0.9223 0.8057 -0.2623 0.0999 Uiso 1.0 2 calc R . .
 H24 H 0.8457 0.8356 -0.3629 0.0999 Uiso 1.0 2 calc R . .
 H25 H 0.7710 0.8338 -0.2746 0.1000 Uiso 1.0 2 calc R . .
 H26 H 0.8116 0.7060 0.3559 0.0531 Uiso 1.0 2 calc R . .
 H27 H 0.6462 0.6702 0.3539 0.0530 Uiso 1.0 2 calc R . .
 H28 H 0.6966 0.6622 0.2555 0.0530 Uiso 1.0 2 calc R . .
 H29 H 0.7369 0.6917 -0.4030 0.0548 Uiso 1.0 2 calc R . .
 H30 H 0.6250 0.8173 0.3350 0.0549 Uiso 1.0 2 calc R . .
 H31 H 0.0922 0.6707 0.6578 0.0304 Uiso 1.0 2 calc R . .
 H32 H -0.0753 0.6639 0.6200 0.0302 Uiso 1.0 2 calc R . .
 H33 H 0.0029 0.6029 0.5586 0.0305 Uiso 1.0 2 calc R . .
 H34 H 0.0514 0.8088 0.5857 0.1805 Uiso 1.0 2 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_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
 Cu1 0.0121(4) 0.0149(4) 0.0096(4) 0.0069(3) 0.0013(3) -0.0001(3)
 Cu2 0.0181(4) 0.0204(4) 0.0108(4) 0.0100(3) 0.0014(3) -0.0017(3)
 Tb1 0.0112(2) 0.0120(2) 0.0104(2) 0.00491(13) 0.00227(14) 0.00160(13)
 O1 0.022(3) 0.020(3) 0.018(3) 0.0082(18) 0.0012(18) -0.0006(18)
 O2 0.0080(19) 0.026(3) 0.017(3) 0.0048(17) 0.0008(16) 0.0020(18)
 O3 0.016(2) 0.014(2) 0.016(3) 0.0055(17) 0.0053(17) 0.0010(17)
 O4 0.022(3) 0.020(3) 0.019(3) 0.0023(19) 0.0003(19) -0.0033(19)
 O5 0.034(3) 0.042(3) 0.022(3) 0.026(3) 0.002(2) -0.005(3)
 O6 0.020(3) 0.028(3) 0.010(2) 0.0154(19) -0.0014(17) -0.0013(18)
 O7 0.0081(19) 0.021(2) 0.014(2) 0.0058(16) 0.0044(16) 0.0023(17)
 O8 0.016(2) 0.023(3) 0.015(3) 0.0091(18) -0.0016(17) -0.0029(18)
 O9 0.019(3) 0.023(3) 0.028(3) 0.0083(18) 0.0041(19) 0.0102(19)
 O10 0.017(3) 0.035(3) 0.044(3) 0.009(2) 0.004(2) 0.026(3)
 O11 0.029(3) 0.033(3) 0.069(4) 0.009(3) 0.018(3) 0.036(3)
 O12 0.020(3) 0.022(3) 0.048(3) 0.0107(19) 0.020(3) 0.009(3)
 O13 0.034(3) 0.023(3) 0.044(3) 0.016(2) 0.026(3) 0.019(3)
 O14 0.035(3) 0.021(3) 0.042(3) 0.006(2) 0.017(3) 0.017(3)
 O15 0.025(3) 0.064(4) 0.047(4) -0.001(3) 0.004(3) 0.036(3)
 O16 0.047(4) 0.029(3) 0.060(4) 0.017(3) 0.044(3) 0.020(3)
 O17 0.033(3) 0.038(3) 0.027(3) 0.014(3) 0.012(3) 0.015(3)
 O18 0.058(4) 0.096(5) 0.041(4) 0.032(4) -0.004(3) 0.028(4)
 O19 0.061(4) 0.032(3) 0.051(4) 0.005(3) 0.031(3) 0.008(3)
 O20 0.246(15) 0.158(12) 0.172(13) 0.034(11) 0.064(11) 0.092(11)
 N1 0.013(3) 0.013(3) 0.011(3) 0.002(2) 0.002(2) 0.001(2)
 N2 0.015(3) 0.010(3) 0.009(3) 0.0026(19) 0.005(2) -0.0012(19)
 N3 0.017(3) 0.022(3) 0.027(3) 0.009(3) 0.009(3) 0.007(3)
 N4 0.012(3) 0.016(3) 0.025(3) 0.006(2) 0.000(3) 0.002(3)
 N5 0.034(4) 0.030(3) 0.011(3) -0.001(3) 0.002(3) -0.005(3)
 C1 0.035(4) 0.030(4) 0.024(4) 0.025(4) 0.004(3) -0.004(3)
 C2 0.025(4) 0.018(3) 0.019(4) 0.009(3) 0.003(3) 0.008(3)
 C3 0.011(3) 0.024(4) 0.018(4) 0.007(3) 0.006(3) 0.002(3)
 C4 0.013(3) 0.012(3) 0.015(3) 0.002(3) 0.004(3) 0.003(3)
 C5 0.013(3) 0.009(3) 0.016(3) 0.002(3) 0.008(3) 0.003(3)
 C6 0.015(3) 0.017(3) 0.023(4) 0.005(3) 0.006(3) 0.004(3)
 C7 0.011(3) 0.018(3) 0.022(4) 0.004(3) -0.001(3) 0.002(3)
 C8 0.014(3) 0.022(4) 0.026(4) 0.009(3) 0.003(3) 0.004(3)
 C9 0.013(3) 0.020(3) 0.007(3) 0.002(3) 0.001(3) 0.001(3)
 C10 0.016(3) 0.012(3) 0.017(3) 0.003(3) 0.004(3) 0.002(3)
 C11 0.018(4) 0.021(3) 0.019(4) 0.007(3) -0.002(3) -0.003(3)
 C12 0.017(3) 0.022(3) 0.009(3) 0.000(3) -0.002(3) 0.003(3)
 C13 0.028(4) 0.023(4) 0.025(4) 0.000(3) 0.008(3) -0.004(3)
 C14 0.035(4) 0.038(5) 0.024(4) 0.030(4) 0.003(3) -0.001(4)
 C15 0.033(4) 0.027(4) 0.012(3) 0.019(3) 0.005(3) 0.001(3)
 C16 0.017(4) 0.025(4) 0.020(4) 0.007(3) 0.006(3) 0.001(3)
 C17 0.019(3) 0.015(3) 0.012(3) 0.006(3) 0.002(3) 0.004(3)
 C18 0.009(3) 0.019(3) 0.014(3) 0.003(3) 0.007(3) 0.002(3)
 C19 0.024(4) 0.016(3) 0.026(4) 0.010(3) 0.013(3) 0.005(3)
 C20 0.012(3) 0.026(4) 0.026(4) 0.011(3) 0.001(3) 0.005(3)
 C21 0.013(3) 0.032(4) 0.011(3) 0.011(3) -0.001(3) 0.004(3)
 C22 0.011(3) 0.018(3) 0.017(3) -0.001(3) -0.000(3) 0.006(3)
 C23 0.013(3) 0.015(3) 0.019(4) 0.005(3) 0.006(3) 0.006(3)
 C24 0.015(3) 0.020(3) 0.014(3) 0.008(3) -0.003(3) 0.004(3)
 C25 0.018(3) 0.021(3) 0.006(3) 0.003(3) 0.002(3) -0.003(3)
 C26 0.024(4) 0.036(4) 0.011(3) 0.015(3) 0.004(3) -0.006(3)
 C27 0.071(8) 0.075(9) 0.103(10) -0.002(7) -0.038(7) 0.026(8)
 C28 0.048(5) 0.031(5) 0.053(6) 0.016(4) 0.014(4) 0.017(4)
 C29 0.022(4) 0.030(4) 0.024(4) 0.010(3) 0.002(3) 0.001(3)