#------------------------------------------------------------------------------
#$Date: 2015-12-19 09:38:56 +0200 (Sat, 19 Dec 2015) $
#$Revision: 171630 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/35/7223576.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_7223576
loop_
_publ_author_name
'Tian, Li'
'Li, Ting'
'Zhou, Shang Yong'
'Li, Xin'
'Liu, Zhong Yi'
'Guo, Jian Hua'
'Liao, Dai-zheng'
_publ_section_title
;
 Modulating spin dynamics of LnIII-radical complexes by using different
 coligand
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA21991D
_journal_year                    2015
_chemical_formula_sum            'C40.5 H27 Cl F36 Gd2 N5 O16'
_chemical_formula_weight         1873.62
_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
;
2015-04-03 deposited with the CCDC.
2015-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 120.758(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.752(4)
_cell_length_b                   24.466(4)
_cell_length_c                   23.085(3)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      2.30
_cell_volume                     12499(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0725
_diffrn_reflns_av_sigmaI/netI    0.0663
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33574
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    2.319
_exptl_absorpt_correction_T_max  0.7224
_exptl_absorpt_correction_T_min  0.6803
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7216
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.508
_refine_diff_density_min         -1.828
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    condtr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     932
_refine_ls_number_reflns         10917
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0629P)²+104.1925P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1373
_reflns_number_gt                8482
_reflns_number_total             10917
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra21991d2.cif
_cod_data_source_block           n141107c
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C40.50 H27 Cl F36 Gd2 N5 O16'
_cod_database_code               7223576
_audit_block_doi                 10.5517/cc14hr8n
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
Gd2 Gd 0.198352(15) 0.508745(13) 0.255855(17) 0.02335(11) Uani 1 1 d . . .
Gd1 Gd 0.167138(14) 0.221244(12) 0.161788(17) 0.02283(11) Uani 1 1 d . . .
F19 F 0.0997(2) 0.6541(2) 0.0855(4) 0.086(2) Uani 1 1 d . . .
F20 F 0.1873(2) 0.68099(18) 0.1210(3) 0.0572(14) Uani 1 1 d . . .
F21 F 0.1381(4) 0.6439(2) 0.0254(3) 0.112(3) Uani 1 1 d . . .
F22 F 0.2497(4) 0.4229(4) 0.0954(3) 0.144(4) Uani 1 1 d . . .
F23 F 0.1563(4) 0.4083(2) 0.0612(3) 0.109(3) Uani 1 1 d . . .
F24 F 0.1811(2) 0.45967(19) 0.0059(2) 0.0465(12) Uani 1 1 d . . .
F31 F 0.15171(18) 0.68275(16) 0.3281(2) 0.0353(10) Uani 1 1 d . . .
F32 F 0.0898(3) 0.6341(2) 0.3406(3) 0.0653(16) Uani 1 1 d . . .
F33 F 0.0578(2) 0.6893(2) 0.2574(3) 0.0642(16) Uani 1 1 d . . .
F34 F 0.0004(2) 0.5609(2) 0.0380(2) 0.0496(12) Uani 1 1 d . . .
F35 F -0.01276(19) 0.48500(17) 0.0762(2) 0.0405(11) Uani 1 1 d . . .
F36 F -0.05243(18) 0.5597(2) 0.0854(2) 0.0494(13) Uani 1 1 d . . .
F25 F 0.3380(4) 0.5284(4) 0.5013(3) 0.134(4) Uani 1 1 d . . .
F26 F 0.2962(3) 0.4799(4) 0.5384(3) 0.120(3) Uani 1 1 d . . .
F27 F 0.3405(3) 0.4444(4) 0.4925(3) 0.111(3) Uani 1 1 d . . .
F28 F 0.1003(3) 0.4037(3) 0.4008(3) 0.093(2) Uani 1 1 d . . .
F29 F 0.0443(3) 0.4594(3) 0.3218(3) 0.0753(17) Uani 1 1 d . . .
F30 F 0.0715(3) 0.3852(2) 0.2978(3) 0.0733(17) Uani 1 1 d . . .
F13 F 0.1968(4) 0.3396(2) 0.3423(3) 0.103(3) Uani 1 1 d . . .
F14 F 0.1945(4) 0.2871(3) 0.4114(4) 0.107(3) Uani 1 1 d . . .
F15 F 0.2731(4) 0.2950(4) 0.4065(4) 0.126(3) Uani 1 1 d . . .
F16 F 0.1350(4) 0.1030(2) 0.3592(4) 0.096(2) Uani 1 1 d . . .
F17 F 0.0842(3) 0.0870(3) 0.2552(4) 0.105(3) Uani 1 1 d . . .
F18 F 0.1754(3) 0.0596(2) 0.3136(3) 0.0662(16) Uani 1 1 d . . .
F1 F -0.0094(3) 0.0525(3) 0.0264(4) 0.110(3) Uani 1 1 d . . .
F2 F 0.0853(3) 0.0344(2) 0.0715(3) 0.095(3) Uani 1 1 d . . .
F3 F 0.0395(3) 0.0819(3) -0.0173(3) 0.095(2) Uani 1 1 d . . .
F4 F -0.0101(3) 0.2565(3) 0.1811(5) 0.103(3) Uani 1 1 d . . .
F5 F -0.0717(4) 0.2244(5) 0.0852(7) 0.190(6) Uani 1 1 d . . .
F6 F -0.0362(6) 0.1746(4) 0.1727(9) 0.253(9) Uani 1 1 d . . .
F7 F 0.2729(4) 0.1947(3) 0.0220(5) 0.116(3) Uani 1 1 d . . .
F8 F 0.2532(3) 0.1183(2) 0.0478(3) 0.0715(17) Uani 1 1 d . . .
F9 F 0.1981(4) 0.1483(5) -0.0527(3) 0.193(6) Uani 1 1 d . . .
F10 F 0.0269(3) 0.2546(3) -0.1235(3) 0.091(2) Uani 1 1 d . . .
F11 F -0.0096(2) 0.2536(3) -0.0589(3) 0.0780(19) Uani 1 1 d . . .
F12 F 0.0391(3) 0.3222(3) -0.0596(3) 0.086(2) Uani 1 1 d . . .
O9 O 0.1917(2) 0.58636(17) 0.1821(2) 0.0263(11) Uani 1 1 d . . .
O10 O 0.2208(2) 0.47997(18) 0.1724(3) 0.0285(11) Uani 1 1 d . . .
O13 O 0.1586(2) 0.58696(18) 0.2813(2) 0.0264(11) Uani 1 1 d . . .
O14 O 0.0966(2) 0.51826(18) 0.1657(2) 0.0267(11) Uani 1 1 d . . .
O11 O 0.2528(2) 0.5111(2) 0.3753(3) 0.0403(13) Uani 1 1 d . . .
O12 O 0.1366(2) 0.4716(2) 0.2942(3) 0.0363(12) Uani 1 1 d . . .
O8 O 0.2050(2) 0.25665(19) 0.2725(2) 0.0304(11) Uani 1 1 d . . .
O7 O 0.1659(2) 0.14889(19) 0.2381(3) 0.0307(11) Uani 1 1 d . . .
O3 O 0.1122(2) 0.1419(2) 0.1009(3) 0.0397(13) Uani 1 1 d . . .
O4 O 0.0738(2) 0.2241(2) 0.1578(3) 0.0405(14) Uani 1 1 d . . .
O5 O 0.2071(2) 0.1933(2) 0.0925(3) 0.0326(12) Uani 1 1 d . . .
O6 O 0.1022(2) 0.25223(19) 0.0510(2) 0.0309(11) Uani 1 1 d . . .
O1 O 0.2469(2) 0.28377(17) 0.1767(2) 0.0261(11) Uani 1 1 d . . .
O2 O 0.2690(2) 0.43453(18) 0.3068(2) 0.0296(11) Uani 1 1 d . . .
O16 O 0.2945(2) 0.55451(19) 0.3032(2) 0.0327(12) Uani 1 1 d . . .
H16A H 0.3039 0.5679 0.3413 0.049 Uiso 1 1 d R . .
H16B H 0.2920 0.5800 0.2769 0.049 Uiso 1 1 d R . .
O15 O 0.26075(19) 0.17068(17) 0.2208(2) 0.0250(10) Uani 1 1 d . . .
H15A H 0.2871 0.1898 0.2534 0.038 Uiso 1 1 d R . .
H15B H 0.2731 0.1636 0.1938 0.038 Uiso 1 1 d R . .
N1 N 0.2711(2) 0.3224(2) 0.2195(3) 0.0252(13) Uani 1 1 d . . .
N2 N 0.2815(2) 0.3938(2) 0.2815(3) 0.0266(13) Uani 1 1 d . . .
N3 N 0.1523(2) 0.4130(2) 0.2007(3) 0.0257(13) Uani 1 1 d . . .
N4 N 0.0937(3) 0.4037(2) 0.1594(3) 0.0289(14) Uani 1 1 d . . .
H4 H 0.0650 0.4279 0.1492 0.035 Uiso 1 1 calc R . .
N5 N 0.1367(2) 0.3265(2) 0.1606(3) 0.0225(12) Uani 1 1 d . . .
C1 C 0.2420(3) 0.3602(3) 0.2338(3) 0.0224(14) Uani 1 1 d . . .
C2 C 0.3385(3) 0.3262(3) 0.2643(4) 0.0319(18) Uani 1 1 d . . .
C3 C 0.3660(4) 0.3238(4) 0.2199(5) 0.053(2) Uani 1 1 d . . .
H3A H 0.3559 0.2887 0.1960 0.079 Uiso 1 1 calc R . .
H3B H 0.4100 0.3273 0.2479 0.079 Uiso 1 1 calc R . .
H3C H 0.3498 0.3537 0.1871 0.079 Uiso 1 1 calc R . .
C4 C 0.3563(4) 0.2770(3) 0.3102(5) 0.050(3) Uani 1 1 d . . .
H4A H 0.3380 0.2798 0.3383 0.074 Uiso 1 1 calc R . .
H4B H 0.4003 0.2756 0.3390 0.074 Uiso 1 1 calc R . .
H4C H 0.3419 0.2436 0.2829 0.074 Uiso 1 1 calc R . .
C5 C 0.3455(3) 0.3822(3) 0.3005(4) 0.0373(19) Uani 1 1 d . . .
C6 C 0.3845(4) 0.3820(4) 0.3759(5) 0.063(3) Uani 1 1 d . . .
H6A H 0.3805 0.4171 0.3938 0.095 Uiso 1 1 calc R . .
H6B H 0.4268 0.3764 0.3888 0.095 Uiso 1 1 calc R . .
H6C H 0.3717 0.3524 0.3944 0.095 Uiso 1 1 calc R . .
C7 C 0.3632(4) 0.4301(3) 0.2698(5) 0.055(3) Uani 1 1 d . . .
H7A H 0.3389 0.4282 0.2205 0.082 Uiso 1 1 calc R . .
H7B H 0.4062 0.4272 0.2843 0.082 Uiso 1 1 calc R . .
H7C H 0.3558 0.4650 0.2852 0.082 Uiso 1 1 calc R . .
C8 C 0.1770(3) 0.3661(2) 0.1999(3) 0.0214(14) Uani 1 1 d . . .
C9 C 0.0842(3) 0.3529(3) 0.1354(4) 0.0281(16) Uani 1 1 d . . .
C10 C 0.0221(3) 0.3343(3) 0.0848(4) 0.0381(19) Uani 1 1 d . . .
H10A H 0.0245 0.3030 0.0598 0.057 Uiso 1 1 calc R . .
H10B H 0.0001 0.3642 0.0534 0.057 Uiso 1 1 calc R . .
H10C H 0.0006 0.3234 0.1079 0.057 Uiso 1 1 calc R . .
C26 C 0.1503(4) 0.6416(3) 0.0863(4) 0.0382(19) Uani 1 1 d . . .
C27 C 0.1735(3) 0.5854(3) 0.1205(4) 0.0268(15) Uani 1 1 d . . .
C28 C 0.1717(3) 0.5427(3) 0.0813(4) 0.0295(16) Uani 1 1 d . . .
H28 H 0.1532 0.5470 0.0339 0.035 Uiso 1 1 calc R . .
C29 C 0.1975(3) 0.4925(3) 0.1118(4) 0.0321(17) Uani 1 1 d . . .
C30 C 0.1971(5) 0.4458(4) 0.0675(5) 0.055(3) Uani 1 1 d . . .
C36 C 0.1012(3) 0.6538(3) 0.2954(4) 0.0348(18) Uani 1 1 d . . .
C37 C 0.1070(3) 0.6071(3) 0.2540(4) 0.0256(15) Uani 1 1 d . . .
C38 C 0.0551(3) 0.5925(3) 0.1946(4) 0.0293(16) Uani 1 1 d . . .
H38 H 0.0190 0.6125 0.1808 0.035 Uiso 1 1 calc R . .
C39 C 0.0542(3) 0.5500(3) 0.1549(4) 0.0261(15) Uani 1 1 d . . .
C40 C -0.0039(3) 0.5398(3) 0.0881(4) 0.0353(18) Uani 1 1 d . . .
C31 C 0.3052(5) 0.4842(5) 0.4885(5) 0.065(3) Uani 1 1 d . . .
C32 C 0.2484(4) 0.4852(3) 0.4199(4) 0.045(2) Uani 1 1 d . . .
C33 C 0.1985(4) 0.4569(4) 0.4108(4) 0.048(2) Uani 1 1 d . . .
H33 H 0.2007 0.4391 0.4485 0.057 Uiso 1 1 calc R . .
C34 C 0.1455(4) 0.4534(3) 0.3491(4) 0.0399(19) Uani 1 1 d . . .
C35 C 0.0905(5) 0.4248(4) 0.3428(5) 0.057(3) Uani 1 1 d . . .
C21 C 0.2142(5) 0.2915(4) 0.3709(5) 0.054(2) Uani 1 1 d . . .
C22 C 0.1948(3) 0.2472(3) 0.3192(4) 0.0357(18) Uani 1 1 d . . .
C23 C 0.1706(4) 0.1991(3) 0.3285(4) 0.041(2) Uani 1 1 d . . .
H23 H 0.1614 0.1978 0.3634 0.049 Uiso 1 1 calc R . .
C24 C 0.1596(3) 0.1531(3) 0.2884(4) 0.0367(19) Uani 1 1 d . . .
C25 C 0.1386(5) 0.1002(4) 0.3054(5) 0.055(3) Uani 1 1 d . . .
C11 C 0.0438(4) 0.0726(4) 0.0407(6) 0.071(3) Uani 1 1 d . . .
C12 C 0.0601(4) 0.1254(3) 0.0823(5) 0.051(2) Uani 1 1 d . . .
C13 C 0.0176(4) 0.1473(4) 0.0942(6) 0.067(3) Uani 1 1 d . . .
H13 H -0.0203 0.1294 0.0762 0.081 Uiso 1 1 calc R . .
C14 C 0.0277(4) 0.1947(3) 0.1314(6) 0.059(3) Uani 1 1 d . . .
C15 C -0.0227(5) 0.2138(5) 0.1454(9) 0.097(5) Uani 1 1 d . . .
C16 C 0.2278(6) 0.1622(6) 0.0110(5) 0.073(4) Uani 1 1 d . . .
C17 C 0.1870(4) 0.1921(3) 0.0311(4) 0.044(2) Uani 1 1 d . . .
C18 C 0.1334(4) 0.2139(4) -0.0193(4) 0.046(2) Uani 1 1 d . . .
H18 H 0.1226 0.2089 -0.0649 0.055 Uiso 1 1 calc R . .
C19 C 0.0952(3) 0.2425(3) -0.0056(4) 0.0330(17) Uani 1 1 d . . .
C20 C 0.0375(4) 0.2673(4) -0.0636(4) 0.051(2) Uani 1 1 d . . .
Cl1 Cl 0.029(3) 0.1142(9) 0.834(3) 0.165(9) Uani 0.273(7) 1 d PD A 1
C41 C 0.0683(14) 0.0525(15) 0.855(3) 0.107(13) Uani 0.273(7) 1 d PDU A 1
H41A H 0.0979 0.0518 0.9044 0.128 Uiso 0.273(7) 1 calc PR A 1
H41B H 0.0908 0.0490 0.8313 0.128 Uiso 0.273(7) 1 calc PR A 1
Cl2 Cl 0.0177(15) -0.0019(8) 0.834(2) 0.283(16) Uani 0.273(7) 1 d PD A 1
Cl1' Cl 0.038(3) 0.1206(16) 0.828(3) 0.165(9) Uani 0.227(7) 1 d PD A 2
Cl2' Cl 0.0000 0.0229(8) 0.7500 0.283(16) Uani 0.455(14) 2 d SPD . 2
C41' C 0.047(3) 0.0497(17) 0.8307(11) 0.107(13) Uani 0.227(7) 1 d PDU A 2
H41C H 0.0897 0.0408 0.8462 0.128 Uiso 0.227(7) 1 calc PR A 2
H41D H 0.0367 0.0333 0.8627 0.128 Uiso 0.227(7) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_3
O12 Gd2 O11 71.60(19) .
O12 Gd2 O13 76.12(16) .
O11 Gd2 O13 76.47(17) .
O12 Gd2 O14 73.39(17) .
O11 Gd2 O14 138.21(18) .
O13 Gd2 O14 73.59(15) .
O12 Gd2 O10 132.64(16) .
O11 Gd2 O10 134.76(17) .
O13 Gd2 O10 138.55(16) .
O14 Gd2 O10 86.34(16) .
O12 Gd2 O2 90.65(17) .
O11 Gd2 O2 66.45(16) .
O13 Gd2 O2 142.90(16) .
O14 Gd2 O2 135.98(15) .
O10 Gd2 O2 74.80(16) .
O12 Gd2 O16 137.84(18) .
O11 Gd2 O16 66.55(19) .
O13 Gd2 O16 89.22(16) .
O14 Gd2 O16 140.06(16) .
O10 Gd2 O16 83.45(17) .
O2 Gd2 O16 77.57(16) .
O12 Gd2 O9 136.38(16) .
O11 Gd2 O9 124.60(17) .
O13 Gd2 O9 70.67(15) .
O14 Gd2 O9 70.69(15) .
O10 Gd2 O9 68.52(15) .
O2 Gd2 O9 132.67(16) .
O16 Gd2 O9 69.63(15) .
O12 Gd2 N3 67.49(17) .
O11 Gd2 N3 115.82(18) .
O13 Gd2 N3 133.53(16) .
O14 Gd2 N3 69.12(16) .
O10 Gd2 N3 65.33(17) .
O2 Gd2 N3 66.87(16) .
O16 Gd2 N3 137.24(17) .
O9 Gd2 N3 119.26(16) .
O6 Gd1 O4 78.76(18) .
O6 Gd1 O8 136.22(16) .
O4 Gd1 O8 83.14(18) .
O6 Gd1 O3 75.21(17) .
O4 Gd1 O3 73.56(19) .
O8 Gd1 O3 136.07(18) .
O6 Gd1 O5 71.09(16) .
O4 Gd1 O5 139.27(18) .
O8 Gd1 O5 137.54(16) .
O3 Gd1 O5 72.73(18) .
O6 Gd1 O15 136.64(16) .
O4 Gd1 O15 137.73(17) .
O8 Gd1 O15 80.70(16) .
O3 Gd1 O15 92.03(16) .
O5 Gd1 O15 65.55(16) .
O6 Gd1 O1 91.73(16) .
O4 Gd1 O1 138.93(16) .
O8 Gd1 O1 76.56(16) .
O3 Gd1 O1 142.62(18) .
O5 Gd1 O1 69.90(16) .
O15 Gd1 O1 73.53(15) .
O6 Gd1 O7 137.16(16) .
O4 Gd1 O7 70.68(17) .
O8 Gd1 O7 69.42(16) .
O3 Gd1 O7 67.90(17) .
O5 Gd1 O7 115.51(16) .
O15 Gd1 O7 67.08(15) .
O1 Gd1 O7 130.95(15) .
O6 Gd1 N5 68.85(16) .
O4 Gd1 N5 71.64(16) .
O8 Gd1 N5 67.67(16) .
O3 Gd1 N5 133.68(17) .
O5 Gd1 N5 119.22(16) .
O15 Gd1 N5 134.25(15) .
O1 Gd1 N5 67.70(15) .
O7 Gd1 N5 125.05(16) .
C27 O9 Gd2 128.1(4) .
C29 O10 Gd2 131.2(4) .
C37 O13 Gd2 132.5(4) .
C39 O14 Gd2 133.7(4) .
C32 O11 Gd2 133.6(5) .
C34 O12 Gd2 135.1(5) .
C22 O8 Gd1 134.6(5) .
C24 O7 Gd1 130.2(5) .
C12 O3 Gd1 132.3(6) .
C14 O4 Gd1 134.2(6) .
C17 O5 Gd1 134.5(5) .
C19 O6 Gd1 136.0(5) .
N1 O1 Gd1 128.2(4) .
N2 O2 Gd2 131.9(4) .
Gd2 O16 H16A 109.3 .
Gd2 O16 H16B 109.4 .
H16A O16 H16B 109.5 .
Gd1 O15 H15A 109.4 .
Gd1 O15 H15B 109.3 .
H15A O15 H15B 109.5 .
O1 N1 C1 126.2(5) .
O1 N1 C2 121.0(5) .
C1 N1 C2 112.6(5) .
O2 N2 C1 126.6(6) .
O2 N2 C5 120.6(5) .
C1 N2 C5 112.6(5) .
C8 N3 N4 102.8(5) .
C8 N3 Gd2 132.7(4) .
N4 N3 Gd2 124.2(4) .
N3 N4 C9 110.9(6) .
N3 N4 H4 124.5 .
C9 N4 H4 124.5 .
C9 N5 C8 101.7(5) .
C9 N5 Gd1 133.9(4) .
C8 N5 Gd1 123.5(4) .
N2 C1 N1 110.2(6) .
N2 C1 C8 124.5(6) .
N1 C1 C8 125.2(6) .
N1 C2 C4 105.2(6) .
N1 C2 C3 107.8(6) .
C4 C2 C3 111.4(7) .
N1 C2 C5 101.4(5) .
C4 C2 C5 114.3(7) .
C3 C2 C5 115.4(7) .
C2 C3 H3A 109.5 .
C2 C3 H3B 109.5 .
H3A C3 H3B 109.5 .
C2 C3 H3C 109.5 .
H3A C3 H3C 109.5 .
H3B C3 H3C 109.5 .
C2 C4 H4A 109.5 .
C2 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C2 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C6 C5 N2 108.9(7) .
C6 C5 C7 110.7(7) .
N2 C5 C7 105.0(6) .
C6 C5 C2 116.3(6) .
N2 C5 C2 101.5(5) .
C7 C5 C2 113.3(7) .
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 .
N3 C8 N5 114.6(6) .
N3 C8 C1 120.9(6) .
N5 C8 C1 124.3(6) .
N4 C9 N5 109.9(6) .
N4 C9 C10 120.5(6) .
N5 C9 C10 129.5(6) .
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 .
F21 C26 F20 109.6(7) .
F21 C26 F19 106.7(8) .
F20 C26 F19 104.0(7) .
F21 C26 C27 114.6(7) .
F20 C26 C27 111.9(6) .
F19 C26 C27 109.4(7) .
O9 C27 C28 129.3(7) .
O9 C27 C26 112.8(6) .
C28 C27 C26 117.9(6) .
C27 C28 C29 119.4(7) .
C27 C28 H28 120.3 .
C29 C28 H28 120.3 .
O10 C29 C28 127.6(7) .
O10 C29 C30 113.7(6) .
C28 C29 C30 118.7(7) .
F22 C30 F24 108.8(8) .
F22 C30 F23 108.7(9) .
F24 C30 F23 105.4(8) .
F22 C30 C29 110.1(8) .
F24 C30 C29 115.0(7) .
F23 C30 C29 108.7(7) .
F32 C36 F31 107.3(6) .
F32 C36 F33 108.1(6) .
F31 C36 F33 106.1(6) .
F32 C36 C37 110.6(6) .
F31 C36 C37 111.7(6) .
F33 C36 C37 112.8(6) .
O13 C37 C38 129.6(6) .
O13 C37 C36 113.3(6) .
C38 C37 C36 117.0(6) .
C39 C38 C37 122.2(6) .
C39 C38 H38 118.9 .
C37 C38 H38 118.9 .
O14 C39 C38 128.0(6) .
O14 C39 C40 113.8(6) .
C38 C39 C40 118.1(6) .
F36 C40 F34 108.4(6) .
F36 C40 F35 107.3(6) .
F34 C40 F35 106.8(6) .
F36 C40 C39 113.9(6) .
F34 C40 C39 110.1(6) .
F35 C40 C39 110.0(6) .
F26 C31 F27 108.3(9) .
F26 C31 F25 104.8(10) .
F27 C31 F25 104.7(11) .
F26 C31 C32 114.8(10) .
F27 C31 C32 110.6(8) .
F25 C31 C32 113.0(9) .
O11 C32 C33 126.5(8) .
O11 C32 C31 114.9(9) .
C33 C32 C31 118.6(9) .
C32 C33 C34 122.8(8) .
C32 C33 H33 118.6 .
C34 C33 H33 118.6 .
O12 C34 C33 126.5(8) .
O12 C34 C35 112.9(8) .
C33 C34 C35 120.6(8) .
F30 C35 F28 108.0(8) .
F30 C35 F29 106.0(9) .
F28 C35 F29 106.7(8) .
F30 C35 C34 111.5(7) .
F28 C35 C34 113.2(9) .
F29 C35 C34 111.0(8) .
F14 C21 F15 108.3(9) .
F14 C21 F13 106.5(8) .
F15 C21 F13 104.2(10) .
F14 C21 C22 115.2(9) .
F15 C21 C22 111.0(8) .
F13 C21 C22 111.1(8) .
O8 C22 C23 126.3(7) .
O8 C22 C21 114.8(7) .
C23 C22 C21 118.8(8) .
C24 C23 C22 122.4(7) .
C24 C23 H23 118.8 .
C22 C23 H23 118.8 .
O7 C24 C23 127.0(7) .
O7 C24 C25 113.4(7) .
C23 C24 C25 119.6(8) .
F16 C25 F18 107.4(8) .
F16 C25 F17 106.8(8) .
F18 C25 F17 107.6(9) .
F16 C25 C24 114.3(8) .
F18 C25 C24 110.7(7) .
F17 C25 C24 109.8(7) .
F3 C11 F2 107.3(11) .
F3 C11 F1 105.7(9) .
F2 C11 F1 108.6(9) .
F3 C11 C12 110.3(9) .
F2 C11 C12 111.9(8) .
F1 C11 C12 112.7(10) .
O3 C12 C13 129.4(8) .
O3 C12 C11 113.0(9) .
C13 C12 C11 117.7(8) .
C12 C13 C14 122.5(8) .
C12 C13 H13 118.7 .
C14 C13 H13 118.7 .
O4 C14 C13 127.9(9) .
O4 C14 C15 114.2(9) .
C13 C14 C15 117.9(8) .
F4 C15 F6 109.9(16) .
F4 C15 F5 107.9(11) .
F6 C15 F5 107.7(12) .
F4 C15 C14 114.7(9) .
F6 C15 C14 109.8(10) .
F5 C15 C14 106.5(14) .
F9 C16 F8 109.0(11) .
F9 C16 F7 108.9(11) .
F8 C16 F7 105.5(9) .
F9 C16 C17 111.5(9) .
F8 C16 C17 112.6(9) .
F7 C16 C17 109.0(10) .
O5 C17 C18 127.5(8) .
O5 C17 C16 114.2(7) .
C18 C17 C16 118.3(8) .
C19 C18 C17 122.1(8) .
C19 C18 H18 118.9 .
C17 C18 H18 118.9 .
O6 C19 C18 127.0(7) .
O6 C19 C20 113.5(7) .
C18 C19 C20 119.5(7) .
F10 C20 F11 109.0(8) .
F10 C20 F12 107.1(8) .
F11 C20 F12 104.2(8) .
F10 C20 C19 114.7(8) .
F11 C20 C19 110.5(8) .
F12 C20 C19 110.7(7) .
Cl1 C41 Cl2 109.5(7) .
Cl1 C41 H41A 109.8 .
Cl2 C41 H41A 109.8 .
Cl1 C41 H41B 109.8 .
Cl2 C41 H41B 109.8 .
H41A C41 H41B 108.2 .
C41' Cl2' C41' 136(3) 2_556
Cl2' C41' Cl1' 109.3(7) .
Cl2' C41' H41C 109.8 .
Cl1' C41' H41C 109.8 .
Cl2' C41' H41D 109.8 .
Cl1' C41' H41D 109.8 .
H41C C41' H41D 108.3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd2 O12 2.363(5) .
Gd2 O11 2.371(5) .
Gd2 O13 2.381(4) .
Gd2 O14 2.382(5) .
Gd2 O10 2.383(5) .
Gd2 O2 2.408(4) .
Gd2 O16 2.411(5) .
Gd2 O9 2.497(5) .
Gd2 N3 2.641(6) .
Gd1 O6 2.353(5) .
Gd1 O4 2.360(5) .
Gd1 O8 2.385(5) .
Gd1 O3 2.390(5) .
Gd1 O5 2.402(5) .
Gd1 O15 2.416(4) .
Gd1 O1 2.439(4) .
Gd1 O7 2.510(5) .
Gd1 N5 2.689(5) .
F19 C26 1.330(10) .
F20 C26 1.303(9) .
F21 C26 1.275(10) .
F22 C30 1.292(12) .
F23 C30 1.346(12) .
F24 C30 1.307(10) .
F31 C36 1.325(8) .
F32 C36 1.311(9) .
F33 C36 1.330(9) .
F34 C40 1.323(9) .
F35 C40 1.364(9) .
F36 C40 1.314(8) .
F25 C31 1.310(14) .
F26 C31 1.290(12) .
F27 C31 1.303(12) .
F28 C35 1.332(10) .
F29 C35 1.332(11) .
F30 C35 1.319(11) .
F13 C21 1.312(11) .
F14 C21 1.276(11) .
F15 C21 1.307(12) .
F16 C25 1.295(11) .
F17 C25 1.323(12) .
F18 C25 1.318(10) .
F1 C11 1.329(12) .
F2 C11 1.321(11) .
F3 C11 1.307(14) .
F4 C15 1.265(15) .
F5 C15 1.341(19) .
F6 C15 1.289(16) .
F7 C16 1.323(15) .
F8 C16 1.318(12) .
F9 C16 1.307(12) .
F10 C20 1.302(10) .
F11 C20 1.317(11) .
F12 C20 1.347(11) .
O9 C27 1.249(8) .
O10 C29 1.247(9) .
O13 C37 1.245(8) .
O14 C39 1.256(8) .
O11 C32 1.262(10) .
O12 C34 1.248(9) .
O8 C22 1.255(9) .
O7 C24 1.254(9) .
O3 C12 1.248(10) .
O4 C14 1.249(10) .
O5 C17 1.236(9) .
O6 C19 1.247(9) .
O1 N1 1.276(7) .
O2 N2 1.277(7) .
O16 H16A 0.8499 .
O16 H16B 0.8500 .
O15 H15A 0.8501 .
O15 H15B 0.8500 .
N1 C1 1.334(8) .
N1 C2 1.501(8) .
N2 C1 1.332(8) .
N2 C5 1.501(9) .
N3 C8 1.315(8) .
N3 N4 1.329(8) .
N4 C9 1.331(9) .
N4 H4 0.8800 .
N5 C9 1.333(8) .
N5 C8 1.370(8) .
C1 C8 1.447(9) .
C2 C4 1.511(11) .
C2 C3 1.515(12) .
C2 C5 1.568(9) .
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 C6 1.499(12) .
C5 C7 1.553(12) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C9 C10 1.491(10) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C26 C27 1.545(10) .
C27 C28 1.369(10) .
C28 C29 1.403(10) .
C28 H28 0.9500 .
C29 C30 1.529(11) .
C36 C37 1.545(10) .
C37 C38 1.386(10) .
C38 C39 1.379(9) .
C38 H38 0.9500 .
C39 C40 1.521(10) .
C31 C32 1.509(13) .
C32 C33 1.377(13) .
C33 C34 1.383(12) .
C33 H33 0.9500 .
C34 C35 1.518(13) .
C21 C22 1.496(12) .
C22 C23 1.396(11) .
C23 C24 1.392(12) .
C23 H23 0.9500 .
C24 C25 1.527(11) .
C11 C12 1.533(13) .
C12 C13 1.367(14) .
C13 C14 1.386(14) .
C13 H13 0.9500 .
C14 C15 1.561(15) .
C16 C17 1.533(13) .
C17 C18 1.379(11) .
C18 C19 1.369(11) .
C18 H18 0.9500 .
C19 C20 1.527(11) .
Cl1 C41 1.748(5) .
C41 Cl2 1.749(5) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
Cl1' C41' 1.749(5) .
Cl2' C41' 1.749(5) .
Cl2' C41' 1.749(5) 2_556
C41' H41C 0.9900 .
C41' H41D 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
O12 Gd2 O9 C27 -94.1(6) .
O11 Gd2 O9 C27 166.2(5) .
O13 Gd2 O9 C27 -136.7(6) .
O14 Gd2 O9 C27 -57.9(5) .
O10 Gd2 O9 C27 35.8(5) .
O2 Gd2 O9 C27 77.6(6) .
O16 Gd2 O9 C27 126.7(6) .
N3 Gd2 O9 C27 -6.9(6) .
O12 Gd2 O10 C29 94.2(6) .
O11 Gd2 O10 C29 -157.9(6) .
O13 Gd2 O10 C29 -29.2(7) .
O14 Gd2 O10 C29 30.8(6) .
O2 Gd2 O10 C29 170.6(6) .
O16 Gd2 O10 C29 -110.5(6) .
O9 Gd2 O10 C29 -39.9(6) .
N3 Gd2 O10 C29 99.5(6) .
O12 Gd2 O13 C37 -70.0(6) .
O11 Gd2 O13 C37 -144.1(6) .
O14 Gd2 O13 C37 6.4(6) .
O10 Gd2 O13 C37 70.7(6) .
O2 Gd2 O13 C37 -142.1(5) .
O16 Gd2 O13 C37 149.9(6) .
O9 Gd2 O13 C37 81.2(6) .
N3 Gd2 O13 C37 -31.2(7) .
O12 Gd2 O14 C39 75.5(6) .
O11 Gd2 O14 C39 41.4(7) .
O13 Gd2 O14 C39 -4.5(6) .
O10 Gd2 O14 C39 -147.8(6) .
O2 Gd2 O14 C39 148.5(6) .
O16 Gd2 O14 C39 -72.6(7) .
O9 Gd2 O14 C39 -79.3(6) .
N3 Gd2 O14 C39 147.2(6) .
O12 Gd2 O11 C32 21.4(7) .
O13 Gd2 O11 C32 101.1(7) .
O14 Gd2 O11 C32 55.9(7) .
O10 Gd2 O11 C32 -111.1(7) .
O2 Gd2 O11 C32 -77.7(7) .
O16 Gd2 O11 C32 -163.8(7) .
O9 Gd2 O11 C32 155.6(6) .
N3 Gd2 O11 C32 -31.0(7) .
O11 Gd2 O12 C34 -17.1(7) .
O13 Gd2 O12 C34 -97.2(7) .
O14 Gd2 O12 C34 -173.9(7) .
O10 Gd2 O12 C34 117.6(7) .
O2 Gd2 O12 C34 47.8(7) .
O16 Gd2 O12 C34 -24.2(8) .
O9 Gd2 O12 C34 -138.3(6) .
N3 Gd2 O12 C34 112.3(7) .
O6 Gd1 O8 C22 106.6(6) .
O4 Gd1 O8 C22 40.8(6) .
O3 Gd1 O8 C22 -16.8(7) .
O5 Gd1 O8 C22 -136.8(6) .
O15 Gd1 O8 C22 -100.0(6) .
O1 Gd1 O8 C22 -175.2(6) .
O7 Gd1 O8 C22 -31.1(6) .
N5 Gd1 O8 C22 113.7(6) .
O6 Gd1 O7 C24 -106.8(6) .
O4 Gd1 O7 C24 -59.8(6) .
O8 Gd1 O7 C24 30.0(6) .
O3 Gd1 O7 C24 -139.3(6) .
O5 Gd1 O7 C24 164.0(6) .
O15 Gd1 O7 C24 118.4(6) .
O1 Gd1 O7 C24 79.1(6) .
N5 Gd1 O7 C24 -10.6(6) .
O6 Gd1 O3 C12 -78.8(7) .
O4 Gd1 O3 C12 3.6(7) .
O8 Gd1 O3 C12 64.6(8) .
O5 Gd1 O3 C12 -153.2(7) .
O15 Gd1 O3 C12 143.2(7) .
O1 Gd1 O3 C12 -151.7(7) .
O7 Gd1 O3 C12 79.0(7) .
N5 Gd1 O3 C12 -39.0(8) .
O6 Gd1 O4 C14 75.2(8) .
O8 Gd1 O4 C14 -144.8(8) .
O3 Gd1 O4 C14 -2.5(8) .
O5 Gd1 O4 C14 32.7(9) .
O15 Gd1 O4 C14 -76.8(9) .
O1 Gd1 O4 C14 154.8(7) .
O7 Gd1 O4 C14 -74.3(8) .
N5 Gd1 O4 C14 146.5(8) .
O6 Gd1 O5 C17 -12.4(7) .
O4 Gd1 O5 C17 32.1(8) .
O8 Gd1 O5 C17 -151.5(7) .
O3 Gd1 O5 C17 67.5(7) .
O15 Gd1 O5 C17 168.0(8) .
O1 Gd1 O5 C17 -111.5(7) .
O7 Gd1 O5 C17 121.7(7) .
N5 Gd1 O5 C17 -63.4(8) .
O4 Gd1 O6 C19 -138.0(7) .
O8 Gd1 O6 C19 154.5(6) .
O3 Gd1 O6 C19 -62.3(7) .
O5 Gd1 O6 C19 14.2(6) .
O15 Gd1 O6 C19 14.7(8) .
O1 Gd1 O6 C19 82.3(7) .
O7 Gd1 O6 C19 -93.3(7) .
N5 Gd1 O6 C19 147.5(7) .
O6 Gd1 O1 N1 118.8(5) .
O4 Gd1 O1 N1 44.0(6) .
O8 Gd1 O1 N1 -18.6(5) .
O3 Gd1 O1 N1 -173.6(4) .
O5 Gd1 O1 N1 -172.1(5) .
O15 Gd1 O1 N1 -102.7(5) .
O7 Gd1 O1 N1 -65.3(5) .
N5 Gd1 O1 N1 52.5(5) .
O12 Gd2 O2 N2 108.8(5) .
O11 Gd2 O2 N2 178.4(6) .
O13 Gd2 O2 N2 176.3(5) .
O14 Gd2 O2 N2 42.4(6) .
O10 Gd2 O2 N2 -25.5(5) .
O16 Gd2 O2 N2 -112.0(6) .
O9 Gd2 O2 N2 -65.5(6) .
N3 Gd2 O2 N2 43.7(5) .
Gd1 O1 N1 C1 -46.9(8) .
Gd1 O1 N1 C2 127.5(5) .
Gd2 O2 N2 C1 -47.6(9) .
Gd2 O2 N2 C5 127.2(6) .
O12 Gd2 N3 C8 -121.3(6) .
O11 Gd2 N3 C8 -66.8(6) .
O13 Gd2 N3 C8 -162.5(5) .
O14 Gd2 N3 C8 158.7(7) .
O10 Gd2 N3 C8 62.9(6) .
O2 Gd2 N3 C8 -20.3(6) .
O16 Gd2 N3 C8 15.9(7) .
O9 Gd2 N3 C8 106.9(6) .
O12 Gd2 N3 N4 65.5(5) .
O11 Gd2 N3 N4 120.1(5) .
O13 Gd2 N3 N4 24.3(6) .
O14 Gd2 N3 N4 -14.5(5) .
O10 Gd2 N3 N4 -110.2(5) .
O2 Gd2 N3 N4 166.5(6) .
O16 Gd2 N3 N4 -157.3(5) .
O9 Gd2 N3 N4 -66.2(5) .
C8 N3 N4 C9 0.4(8) .
Gd2 N3 N4 C9 175.3(5) .
O6 Gd1 N5 C9 55.8(6) .
O4 Gd1 N5 C9 -28.9(6) .
O8 Gd1 N5 C9 -119.0(6) .
O3 Gd1 N5 C9 14.2(7) .
O5 Gd1 N5 C9 107.9(6) .
O15 Gd1 N5 C9 -168.9(6) .
O1 Gd1 N5 C9 157.0(6) .
O7 Gd1 N5 C9 -77.7(6) .
O6 Gd1 N5 C8 -137.0(5) .
O4 Gd1 N5 C8 138.3(5) .
O8 Gd1 N5 C8 48.3(5) .
O3 Gd1 N5 C8 -178.5(5) .
O5 Gd1 N5 C8 -84.9(5) .
O15 Gd1 N5 C8 -1.6(6) .
O1 Gd1 N5 C8 -35.8(5) .
O7 Gd1 N5 C8 89.5(5) .
O2 N2 C1 N1 179.9(6) .
C5 N2 C1 N1 4.7(8) .
O2 N2 C1 C8 3.1(11) .
C5 N2 C1 C8 -172.1(6) .
O1 N1 C1 N2 179.1(6) .
C2 N1 C1 N2 4.3(8) .
O1 N1 C1 C8 -4.1(11) .
C2 N1 C1 C8 -178.9(6) .
O1 N1 C2 C4 -66.5(8) .
C1 N1 C2 C4 108.6(7) .
O1 N1 C2 C3 52.5(8) .
C1 N1 C2 C3 -132.4(6) .
O1 N1 C2 C5 174.2(6) .
C1 N1 C2 C5 -10.7(8) .
O2 N2 C5 C6 50.4(9) .
C1 N2 C5 C6 -134.1(7) .
O2 N2 C5 C7 -68.2(8) .
C1 N2 C5 C7 107.3(7) .
O2 N2 C5 C2 173.6(6) .
C1 N2 C5 C2 -10.9(8) .
N1 C2 C5 C6 129.9(7) .
C4 C2 C5 C6 17.2(10) .
C3 C2 C5 C6 -113.9(9) .
N1 C2 C5 N2 11.9(7) .
C4 C2 C5 N2 -100.8(7) .
C3 C2 C5 N2 128.2(7) .
N1 C2 C5 C7 -100.2(7) .
C4 C2 C5 C7 147.2(7) .
C3 C2 C5 C7 16.1(9) .
N4 N3 C8 N5 -1.0(8) .
Gd2 N3 C8 N5 -175.2(4) .
N4 N3 C8 C1 173.7(6) .
Gd2 N3 C8 C1 -0.5(10) .
C9 N5 C8 N3 1.2(8) .
Gd1 N5 C8 N3 -169.5(4) .
C9 N5 C8 C1 -173.4(6) .
Gd1 N5 C8 C1 16.0(9) .
N2 C1 C8 N3 18.7(10) .
N1 C1 C8 N3 -157.6(7) .
N2 C1 C8 N5 -167.1(6) .
N1 C1 C8 N5 16.6(10) .
N3 N4 C9 N5 0.3(8) .
N3 N4 C9 C10 -176.4(6) .
C8 N5 C9 N4 -0.8(7) .
Gd1 N5 C9 N4 168.3(4) .
C8 N5 C9 C10 175.4(8) .
Gd1 N5 C9 C10 -15.4(11) .
Gd2 O9 C27 C28 -24.9(10) .
Gd2 O9 C27 C26 155.4(5) .
F21 C26 C27 O9 171.9(7) .
F20 C26 C27 O9 46.4(9) .
F19 C26 C27 O9 -68.3(8) .
F21 C26 C27 C28 -7.8(11) .
F20 C26 C27 C28 -133.3(7) .
F19 C26 C27 C28 111.9(8) .
O9 C27 C28 C29 -5.6(12) .
C26 C27 C28 C29 174.1(7) .
Gd2 O10 C29 C28 32.1(11) .
Gd2 O10 C29 C30 -146.5(6) .
C27 C28 C29 O10 3.6(12) .
C27 C28 C29 C30 -177.9(7) .
O10 C29 C30 F22 -47.3(11) .
C28 C29 C30 F22 133.9(9) .
O10 C29 C30 F24 -170.6(7) .
C28 C29 C30 F24 10.7(12) .
O10 C29 C30 F23 71.5(10) .
C28 C29 C30 F23 -107.2(9) .
Gd2 O13 C37 C38 -6.0(11) .
Gd2 O13 C37 C36 171.3(4) .
F32 C36 C37 O13 -85.1(7) .
F31 C36 C37 O13 34.3(9) .
F33 C36 C37 O13 153.7(6) .
F32 C36 C37 C38 92.6(8) .
F31 C36 C37 C38 -148.0(7) .
F33 C36 C37 C38 -28.6(9) .
O13 C37 C38 C39 0.0(12) .
C36 C37 C38 C39 -177.3(7) .
Gd2 O14 C39 C38 1.9(11) .
Gd2 O14 C39 C40 179.8(4) .
C37 C38 C39 O14 2.2(12) .
C37 C38 C39 C40 -175.7(7) .
O14 C39 C40 F36 159.8(6) .
C38 C39 C40 F36 -22.0(10) .
O14 C39 C40 F34 -78.2(8) .
C38 C39 C40 F34 100.0(8) .
O14 C39 C40 F35 39.3(9) .
C38 C39 C40 F35 -142.6(7) .
Gd2 O11 C32 C33 -19.3(12) .
Gd2 O11 C32 C31 158.1(6) .
F26 C31 C32 O11 151.6(9) .
F27 C31 C32 O11 -85.5(11) .
F25 C31 C32 O11 31.5(13) .
F26 C31 C32 C33 -30.8(13) .
F27 C31 C32 C33 92.1(12) .
F25 C31 C32 C33 -150.9(10) .
O11 C32 C33 C34 0.3(13) .
C31 C32 C33 C34 -177.0(8) .
Gd2 O12 C34 C33 10.0(12) .
Gd2 O12 C34 C35 -169.7(5) .
C32 C33 C34 O12 4.5(13) .
C32 C33 C34 C35 -175.9(8) .
O12 C34 C35 F30 55.9(10) .
C33 C34 C35 F30 -123.7(9) .
O12 C34 C35 F28 177.9(8) .
C33 C34 C35 F28 -1.7(12) .
O12 C34 C35 F29 -62.1(10) .
C33 C34 C35 F29 118.3(9) .
Gd1 O8 C22 C23 22.8(11) .
Gd1 O8 C22 C21 -160.9(6) .
F14 C21 C22 O8 167.8(8) .
F15 C21 C22 O8 -68.7(10) .
F13 C21 C22 O8 46.6(11) .
F14 C21 C22 C23 -15.6(13) .
F15 C21 C22 C23 107.9(10) .
F13 C21 C22 C23 -136.7(9) .
O8 C22 C23 C24 5.7(13) .
C21 C22 C23 C24 -170.5(8) .
Gd1 O7 C24 C23 -22.2(11) .
Gd1 O7 C24 C25 158.9(5) .
C22 C23 C24 O7 -4.5(13) .
C22 C23 C24 C25 174.4(8) .
O7 C24 C25 F16 176.6(7) .
C23 C24 C25 F16 -2.4(12) .
O7 C24 C25 F18 55.2(10) .
C23 C24 C25 F18 -123.9(9) .
O7 C24 C25 F17 -63.4(10) .
C23 C24 C25 F17 117.5(9) .
Gd1 O3 C12 C13 -3.5(15) .
Gd1 O3 C12 C11 177.0(6) .
F3 C11 C12 O3 -67.9(10) .
F2 C11 C12 O3 51.5(14) .
F1 C11 C12 O3 174.2(9) .
F3 C11 C12 C13 112.6(11) .
F2 C11 C12 C13 -128.1(11) .
F1 C11 C12 C13 -5.4(14) .
O3 C12 C13 C14 0.2(17) .
C11 C12 C13 C14 179.6(10) .
Gd1 O4 C14 C13 1.0(16) .
Gd1 O4 C14 C15 178.5(8) .
C12 C13 C14 O4 1.2(18) .
C12 C13 C14 C15 -176.2(11) .
O4 C14 C15 F4 0.4(17) .
C13 C14 C15 F4 178.2(12) .
O4 C14 C15 F6 -123.8(14) .
C13 C14 C15 F6 54.0(19) .
O4 C14 C15 F5 119.8(11) .
C13 C14 C15 F5 -62.4(13) .
Gd1 O5 C17 C18 8.4(14) .
Gd1 O5 C17 C16 -171.2(7) .
F9 C16 C17 O5 161.8(11) .
F8 C16 C17 O5 38.8(14) .
F7 C16 C17 O5 -78.0(11) .
F9 C16 C17 C18 -17.9(17) .
F8 C16 C17 C18 -140.8(10) .
F7 C16 C17 C18 102.4(10) .
O5 C17 C18 C19 2.3(16) .
C16 C17 C18 C19 -178.1(10) .
Gd1 O6 C19 C18 -11.9(13) .
Gd1 O6 C19 C20 169.3(5) .
C17 C18 C19 O6 -0.8(14) .
C17 C18 C19 C20 177.9(8) .
O6 C19 C20 F10 -175.4(8) .
C18 C19 C20 F10 5.7(13) .
O6 C19 C20 F11 -51.7(10) .
C18 C19 C20 F11 129.4(9) .
O6 C19 C20 F12 63.2(10) .
C18 C19 C20 F12 -115.6(9) .
C41' Cl2' C41' Cl1' 7(4) 2_556
