#------------------------------------------------------------------------------
#$Date: 2017-08-10 07:53:52 +0300 (Thu, 10 Aug 2017) $
#$Revision: 199696 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/88/7228886.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_7228886
loop_
_publ_author_name
'Lv, Xue-Hui'
'Yang, Shuai-Liang'
'Li, Yuan-Xia'
'Zhang, Chen-Xi'
'Wang, Qing-Lun'
_publ_section_title
;
 A family of lanthanide compounds based on nitronyl nitroxide radicals:
 synthesis, structure, magnetic and fluorescence properties
;
_journal_issue                   61
_journal_name_full               'RSC Adv.'
_journal_page_first              38179
_journal_paper_doi               10.1039/C7RA05764D
_journal_volume                  7
_journal_year                    2017
_chemical_formula_moiety         'C149 H173 F54 Gd3 N18 O30'
_chemical_formula_sum            'C149 H173 F54 Gd3 N18 O30'
_chemical_formula_weight         4193.80
_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
;
2015-05-08 deposited with the CCDC.
2017-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 101.279(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   49.926(3)
_cell_length_b                   12.6037(5)
_cell_length_c                   28.6405(16)
_cell_measurement_reflns_used    25080
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      1.70
_cell_volume                     17674.0(16)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            70381
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.241
_exptl_absorpt_correction_T_max  0.7719
_exptl_absorpt_correction_T_min  0.7385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             8444
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1244
_refine_ls_number_reflns         15574
_refine_ls_number_restraints     295
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0320
_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)+(0.0381P)²+29.1094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0800
_reflns_number_gt                14638
_reflns_number_total             15574
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7ra05764d2.cif
_cod_data_source_block           shelxl
_cod_database_code               7228886
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
Gd1 Gd 0.142091(3) 0.326445(11) 0.080282(5) 0.02022(5) Uani 1 1 d . . .
Gd2 Gd 0.0000 0.818712(14) 0.2500 0.01933(6) Uani 1 2 d S . .
F1 F 0.18515(5) -0.02514(18) 0.04055(12) 0.0875(9) Uani 1 1 d U . .
F2 F 0.20059(9) 0.0037(2) 0.11201(11) 0.1225(15) Uani 1 1 d U . .
F3 F 0.22566(5) 0.02149(18) 0.06234(12) 0.0810(9) Uani 1 1 d U . .
F4 F 0.23806(4) 0.44973(16) 0.07058(7) 0.0461(5) Uani 1 1 d U . .
F5 F 0.24070(4) 0.36211(17) 0.00781(8) 0.0538(6) Uani 1 1 d U . .
F6 F 0.21204(4) 0.48933(16) 0.00447(7) 0.0455(5) Uani 1 1 d U . .
F7 F 0.11246(8) 0.6313(2) -0.03575(10) 0.0990(11) Uani 1 1 d U . .
F8 F 0.10998(5) 0.4933(2) -0.07872(8) 0.0676(7) Uani 1 1 d U . .
F9 F 0.07416(5) 0.5701(2) -0.06796(8) 0.0673(7) Uani 1 1 d U . .
F10 F 0.02740(4) 0.4295(2) 0.04170(9) 0.0681(7) Uani 1 1 d U . .
F11 F 0.04075(5) 0.27516(19) 0.06265(12) 0.0820(9) Uani 1 1 d U . .
F12 F 0.04803(5) 0.4023(3) 0.11179(9) 0.0833(9) Uani 1 1 d U . .
F13 F 0.13433(6) -0.02275(18) 0.16495(10) 0.0749(8) Uani 1 1 d U . .
F14 F 0.10400(5) 0.07726(19) 0.18314(9) 0.0625(6) Uani 1 1 d U . .
F15 F 0.13952(6) 0.0438(2) 0.23503(9) 0.0865(9) Uani 1 1 d U . .
F16 F 0.22801(8) 0.1980(4) 0.2247(3) 0.091(2) Uani 0.700(9) 1 d PU A 1
F17 F 0.21433(13) 0.3486(7) 0.2457(2) 0.088(2) Uani 0.700(9) 1 d PU A 1
F18 F 0.23127(7) 0.3336(4) 0.18417(15) 0.0543(13) Uani 0.700(9) 1 d PU A 1
F16' F 0.2170(2) 0.2421(10) 0.2572(4) 0.075(4) Uani 0.300(9) 1 d PU A 2
F17' F 0.2154(3) 0.3911(10) 0.2282(6) 0.075(4) Uani 0.300(9) 1 d PU A 2
F18' F 0.2321(2) 0.2677(16) 0.1952(5) 0.089(5) Uani 0.300(9) 1 d PU A 2
C61 C 0.0360(2) 0.4787(10) 0.2392(4) 0.033(3) Uani 0.359(6) 1 d PDU B 1
F19 F 0.01937(14) 0.4275(5) 0.2629(3) 0.070(3) Uani 0.359(6) 1 d PDU B 1
F20 F 0.0404(3) 0.4091(16) 0.2058(5) 0.040(3) Uani 0.359(6) 1 d PDU B 1
F21 F 0.05957(15) 0.4879(8) 0.2695(4) 0.071(4) Uani 0.359(6) 1 d PDU B 1
C61' C 0.04512(15) 0.4992(7) 0.2346(3) 0.043(2) Uani 0.641(6) 1 d PDU B 2
F19' F 0.07007(7) 0.5215(3) 0.22822(16) 0.0643(14) Uani 0.641(6) 1 d PDU B 2
F20' F 0.0371(2) 0.4097(10) 0.2118(3) 0.067(3) Uani 0.641(6) 1 d PDU B 2
F21' F 0.04649(12) 0.4811(4) 0.28032(17) 0.0628(17) Uani 0.641(6) 1 d PDU B 2
F22 F 0.04573(4) 0.6374(2) 0.40298(8) 0.0624(7) Uani 1 1 d U . .
F23 F 0.01945(5) 0.7495(2) 0.42430(8) 0.0647(7) Uani 1 1 d U . .
F24 F 0.00938(5) 0.5869(2) 0.42461(7) 0.0730(8) Uani 1 1 d U . .
F25 F 0.02785(8) 1.1134(3) 0.36802(12) 0.1413(18) Uani 1 1 d U . .
F26 F -0.01357(8) 1.1182(3) 0.36060(12) 0.1230(15) Uani 1 1 d U . .
F27 F 0.00622(8) 1.23795(19) 0.33273(9) 0.0953(10) Uani 1 1 d U . .
O1 O 0.14092(4) 0.49094(16) 0.11717(7) 0.0256(4) Uani 1 1 d . . .
O2 O 0.18311(5) 0.61918(19) 0.26474(8) 0.0441(6) Uani 1 1 d . . .
O3 O 0.11696(4) 0.22916(15) 0.01691(7) 0.0248(4) Uani 1 1 d . . .
O4 O 0.13434(4) -0.05724(17) -0.07343(8) 0.0351(5) Uani 1 1 d . . .
O5 O 0.16814(4) 0.16831(15) 0.07221(7) 0.0272(5) Uani 1 1 d . . .
O6 O 0.18016(4) 0.37691(16) 0.04862(7) 0.0255(4) Uani 1 1 d . . .
O7 O 0.12397(4) 0.44705(15) 0.01711(7) 0.0244(4) Uani 1 1 d . . .
O8 O 0.09494(4) 0.35480(16) 0.08251(7) 0.0254(4) Uani 1 1 d . . .
O9 O 0.13156(4) 0.20231(16) 0.13512(7) 0.0287(5) Uani 1 1 d . . .
O10 O 0.17931(4) 0.32718(16) 0.14705(7) 0.0291(5) Uani 1 1 d . . .
O11 O 0.04577(4) 0.87333(16) 0.25545(7) 0.0253(4) Uani 1 1 d . . .
O12 O 0.12175(4) 0.7157(2) 0.21568(8) 0.0397(6) Uani 1 1 d . . .
O13 O 0.02738(4) 0.66331(15) 0.24714(7) 0.0263(5) Uani 1 1 d . B .
O14 O 0.00893(4) 0.75710(15) 0.32950(7) 0.0258(4) Uani 1 1 d . . .
O15 O 0.00353(4) 0.97329(15) 0.29971(7) 0.0252(4) Uani 1 1 d . . .
N1 N 0.15652(5) 0.54558(19) 0.15091(8) 0.0247(5) Uani 1 1 d . . .
N2 N 0.17644(5) 0.6061(2) 0.21976(9) 0.0318(6) Uani 1 1 d . . .
N3 N 0.10220(8) 0.2360(3) 0.29150(12) 0.0569(9) Uani 1 1 d . . .
N4 N 0.11675(5) 0.13438(18) -0.00161(8) 0.0225(5) Uani 1 1 d . . .
N5 N 0.12473(5) -0.00060(18) -0.04387(8) 0.0251(5) Uani 1 1 d . . .
N6 N 0.20802(6) 0.3406(2) -0.11100(10) 0.0348(6) Uani 1 1 d . . .
N7 N 0.06967(5) 0.82833(18) 0.25854(9) 0.0222(5) Uani 1 1 d . . .
N8 N 0.10562(5) 0.7547(2) 0.24018(8) 0.0270(6) Uani 1 1 d . . .
N9 N 0.03429(5) 0.7988(2) 0.02561(9) 0.0306(6) Uani 1 1 d . . .
C1 C 0.15860(6) 0.5313(2) 0.19733(10) 0.0270(7) Uani 1 1 d . . .
C2 C 0.17086(6) 0.6420(3) 0.13772(11) 0.0308(7) Uani 1 1 d . . .
C3 C 0.18550(8) 0.6145(3) 0.09756(14) 0.0519(10) Uani 1 1 d . . .
H3A H 0.1964 0.5500 0.1058 0.078 Uiso 1 1 calc R . .
H3B H 0.1975 0.6732 0.0928 0.078 Uiso 1 1 calc R . .
H3C H 0.1720 0.6025 0.0682 0.078 Uiso 1 1 calc R . .
C4 C 0.14880(7) 0.7244(3) 0.12072(12) 0.0390(8) Uani 1 1 d . . .
H4A H 0.1354 0.6951 0.0943 0.059 Uiso 1 1 calc R . .
H4B H 0.1571 0.7880 0.1099 0.059 Uiso 1 1 calc R . .
H4C H 0.1397 0.7432 0.1470 0.059 Uiso 1 1 calc R . .
C5 C 0.18977(7) 0.6677(3) 0.18620(13) 0.0362(8) Uani 1 1 d . . .
C6 C 0.21853(8) 0.6226(4) 0.19120(17) 0.0663(12) Uani 1 1 d . . .
H6A H 0.2282 0.6300 0.2243 0.099 Uiso 1 1 calc R . .
H6B H 0.2284 0.6615 0.1702 0.099 Uiso 1 1 calc R . .
H6C H 0.2175 0.5474 0.1823 0.099 Uiso 1 1 calc R . .
C7 C 0.19063(9) 0.7838(3) 0.20029(15) 0.0581(11) Uani 1 1 d . . .
H7A H 0.1722 0.8078 0.2020 0.087 Uiso 1 1 calc R . .
H7B H 0.1976 0.8259 0.1765 0.087 Uiso 1 1 calc R . .
H7C H 0.2027 0.7927 0.2315 0.087 Uiso 1 1 calc R . .
C8 C 0.14457(6) 0.4533(2) 0.22078(10) 0.0287(7) Uani 1 1 d . . .
C9 C 0.15554(8) 0.4182(3) 0.26698(11) 0.0398(8) Uani 1 1 d . . .
H9 H 0.1728 0.4440 0.2829 0.048 Uiso 1 1 calc R . .
C10 C 0.14160(9) 0.3465(3) 0.28965(12) 0.0457(10) Uani 1 1 d . . .
H10 H 0.1495 0.3242 0.3210 0.055 Uiso 1 1 calc R . .
C11 C 0.11627(8) 0.3058(3) 0.26792(13) 0.0432(9) Uani 1 1 d . . .
C12 C 0.10577(7) 0.3388(3) 0.22128(13) 0.0388(8) Uani 1 1 d . . .
H12 H 0.0889 0.3106 0.2049 0.047 Uiso 1 1 calc R . .
C13 C 0.11945(6) 0.4112(3) 0.19877(11) 0.0314(7) Uani 1 1 d . . .
H13 H 0.1116 0.4332 0.1674 0.038 Uiso 1 1 calc R . .
C14 C 0.11241(13) 0.2161(4) 0.34155(16) 0.0840(17) Uani 1 1 d . . .
H14A H 0.1304 0.1824 0.3457 0.126 Uiso 1 1 calc R . .
H14B H 0.0998 0.1689 0.3538 0.126 Uiso 1 1 calc R . .
H14C H 0.1140 0.2833 0.3590 0.126 Uiso 1 1 calc R . .
C15 C 0.07452(9) 0.2052(4) 0.27079(19) 0.0730(15) Uani 1 1 d . . .
H15A H 0.0628 0.2683 0.2664 0.110 Uiso 1 1 calc R . .
H15B H 0.0678 0.1552 0.2921 0.110 Uiso 1 1 calc R . .
H15C H 0.0742 0.1713 0.2399 0.110 Uiso 1 1 calc R . .
C16 C 0.13221(6) 0.1016(2) -0.03163(10) 0.0221(6) Uani 1 1 d . . .
C17 C 0.09396(6) 0.0601(2) 0.00271(11) 0.0266(6) Uani 1 1 d . . .
C18 C 0.06867(6) 0.1050(3) -0.03009(13) 0.0377(8) Uani 1 1 d . . .
H18A H 0.0650 0.1766 -0.0196 0.057 Uiso 1 1 calc R . .
H18B H 0.0529 0.0592 -0.0289 0.057 Uiso 1 1 calc R . .
H18C H 0.0718 0.1078 -0.0628 0.057 Uiso 1 1 calc R . .
C19 C 0.08981(7) 0.0566(3) 0.05344(12) 0.0379(8) Uani 1 1 d . . .
H19A H 0.1073 0.0417 0.0748 0.057 Uiso 1 1 calc R . .
H19B H 0.0767 0.0007 0.0567 0.057 Uiso 1 1 calc R . .
H19C H 0.0828 0.1252 0.0618 0.057 Uiso 1 1 calc R . .
C20 C 0.10493(6) -0.0438(2) -0.01572(11) 0.0274(6) Uani 1 1 d . . .
C21 C 0.12126(7) -0.1127(3) 0.02348(12) 0.0409(8) Uani 1 1 d . . .
H21A H 0.1304 -0.1695 0.0092 0.061 Uiso 1 1 calc R . .
H21B H 0.1089 -0.1438 0.0425 0.061 Uiso 1 1 calc R . .
H21C H 0.1350 -0.0690 0.0440 0.061 Uiso 1 1 calc R . .
C22 C 0.08354(7) -0.1100(3) -0.04827(13) 0.0397(8) Uani 1 1 d . . .
H22A H 0.0753 -0.0677 -0.0761 0.060 Uiso 1 1 calc R . .
H22B H 0.0693 -0.1317 -0.0310 0.060 Uiso 1 1 calc R . .
H22C H 0.0922 -0.1732 -0.0587 0.060 Uiso 1 1 calc R . .
C23 C 0.15245(6) 0.1627(2) -0.05013(10) 0.0224(6) Uani 1 1 d . . .
C24 C 0.17443(6) 0.1135(2) -0.06534(10) 0.0256(6) Uani 1 1 d . . .
H24 H 0.1767 0.0388 -0.0623 0.031 Uiso 1 1 calc R . .
C25 C 0.19284(6) 0.1720(2) -0.08470(11) 0.0276(7) Uani 1 1 d . . .
H25 H 0.2076 0.1368 -0.0946 0.033 Uiso 1 1 calc R . .
C26 C 0.19027(6) 0.2827(2) -0.09022(10) 0.0263(6) Uani 1 1 d . . .
C27 C 0.16869(6) 0.3314(2) -0.07356(10) 0.0265(7) Uani 1 1 d . . .
H27 H 0.1667 0.4064 -0.0757 0.032 Uiso 1 1 calc R . .
C28 C 0.15034(6) 0.2730(2) -0.05419(10) 0.0236(6) Uani 1 1 d . . .
H28 H 0.1359 0.3084 -0.0433 0.028 Uiso 1 1 calc R . .
C29 C 0.22568(7) 0.2874(3) -0.13837(12) 0.0391(8) Uani 1 1 d . . .
H29A H 0.2371 0.2355 -0.1181 0.059 Uiso 1 1 calc R . .
H29B H 0.2374 0.3399 -0.1499 0.059 Uiso 1 1 calc R . .
H29C H 0.2145 0.2510 -0.1656 0.059 Uiso 1 1 calc R . .
C30 C 0.20315(8) 0.4527(3) -0.11984(13) 0.0429(8) Uani 1 1 d . . .
H30A H 0.1850 0.4628 -0.1397 0.064 Uiso 1 1 calc R . .
H30B H 0.2170 0.4813 -0.1363 0.064 Uiso 1 1 calc R . .
H30C H 0.2041 0.4898 -0.0895 0.064 Uiso 1 1 calc R . .
C31 C 0.20112(7) 0.0383(3) 0.07001(13) 0.0386(8) Uani 1 1 d . . .
C32 C 0.19150(6) 0.1531(2) 0.06373(11) 0.0266(6) Uani 1 1 d . . .
C33 C 0.20891(6) 0.2265(2) 0.04966(11) 0.0276(7) Uani 1 1 d . . .
H33 H 0.2261 0.2036 0.0441 0.033 Uiso 1 1 calc R . .
C34 C 0.20184(6) 0.3330(2) 0.04346(10) 0.0238(6) Uani 1 1 d . . .
C35 C 0.22321(6) 0.4088(3) 0.03089(11) 0.0306(7) Uani 1 1 d . . .
C36 C 0.09912(7) 0.5422(3) -0.04666(12) 0.0374(8) Uani 1 1 d . . .
C37 C 0.10033(6) 0.4740(2) -0.00187(10) 0.0262(6) Uani 1 1 d . . .
C38 C 0.07603(6) 0.4513(2) 0.01264(11) 0.0292(7) Uani 1 1 d . . .
H38 H 0.0593 0.4754 -0.0062 0.035 Uiso 1 1 calc R . .
C39 C 0.07540(6) 0.3944(2) 0.05378(10) 0.0245(6) Uani 1 1 d . . .
C40 C 0.04765(6) 0.3752(3) 0.06747(12) 0.0353(8) Uani 1 1 d . . .
C41 C 0.13049(8) 0.0642(3) 0.18905(13) 0.0462(9) Uani 1 1 d . . .
C42 C 0.14498(7) 0.1591(3) 0.17142(11) 0.0322(7) Uani 1 1 d . . .
C43 C 0.17109(7) 0.1836(3) 0.19580(12) 0.0378(8) Uani 1 1 d . . .
H43 H 0.1789 0.1427 0.2229 0.045 Uiso 1 1 calc R . .
C44 C 0.18607(6) 0.2658(3) 0.18165(11) 0.0344(7) Uani 1 1 d . A .
C45 C 0.21446(8) 0.2883(4) 0.21138(15) 0.0511(10) Uani 1 1 d . . .
C46 C 0.07982(6) 0.7913(2) 0.22228(10) 0.0233(6) Uani 1 1 d . . .
C47 C 0.08953(6) 0.8276(2) 0.30533(11) 0.0276(7) Uani 1 1 d . . .
C48 C 0.07551(7) 0.7803(3) 0.34314(12) 0.0423(9) Uani 1 1 d . . .
H48A H 0.0606 0.8272 0.3480 0.063 Uiso 1 1 calc R . .
H48B H 0.0888 0.7730 0.3731 0.063 Uiso 1 1 calc R . .
H48C H 0.0681 0.7104 0.3327 0.063 Uiso 1 1 calc R . .
C49 C 0.09686(7) 0.9428(3) 0.31704(13) 0.0425(9) Uani 1 1 d . . .
H49A H 0.1045 0.9743 0.2913 0.064 Uiso 1 1 calc R . .
H49B H 0.1103 0.9466 0.3469 0.064 Uiso 1 1 calc R . .
H49C H 0.0804 0.9820 0.3205 0.064 Uiso 1 1 calc R . .
C50 C 0.11315(6) 0.7586(2) 0.29340(10) 0.0262(6) Uani 1 1 d . . .
C51 C 0.14144(6) 0.8074(3) 0.30732(12) 0.0353(8) Uani 1 1 d . . .
H51A H 0.1549 0.7606 0.2971 0.053 Uiso 1 1 calc R . .
H51B H 0.1460 0.8163 0.3420 0.053 Uiso 1 1 calc R . .
H51C H 0.1417 0.8767 0.2919 0.053 Uiso 1 1 calc R . .
C52 C 0.11394(8) 0.6445(3) 0.31099(12) 0.0414(8) Uani 1 1 d . . .
H52A H 0.0960 0.6118 0.3005 0.062 Uiso 1 1 calc R . .
H52B H 0.1187 0.6437 0.3458 0.062 Uiso 1 1 calc R . .
H52C H 0.1276 0.6046 0.2980 0.062 Uiso 1 1 calc R . .
C53 C 0.06734(5) 0.7916(2) 0.17216(10) 0.0224(6) Uani 1 1 d . . .
C54 C 0.07304(6) 0.7110(2) 0.14200(10) 0.0267(6) Uani 1 1 d . . .
H54 H 0.0849 0.6546 0.1547 0.032 Uiso 1 1 calc R . .
C55 C 0.06174(6) 0.7123(2) 0.09404(11) 0.0271(6) Uani 1 1 d . . .
H55 H 0.0656 0.6559 0.0744 0.033 Uiso 1 1 calc R . .
C56 C 0.04466(6) 0.7953(2) 0.07380(10) 0.0242(6) Uani 1 1 d . . .
C57 C 0.03895(6) 0.8753(2) 0.10465(10) 0.0267(6) Uani 1 1 d . . .
H57 H 0.0272 0.9322 0.0921 0.032 Uiso 1 1 calc R . .
C58 C 0.04992(6) 0.8732(2) 0.15253(10) 0.0245(6) Uani 1 1 d . . .
H58 H 0.0456 0.9281 0.1725 0.029 Uiso 1 1 calc R . .
C59 C 0.01448(7) 0.8787(3) 0.00635(11) 0.0357(8) Uani 1 1 d . . .
H59A H -0.0024 0.8672 0.0183 0.054 Uiso 1 1 calc R . .
H59B H 0.0106 0.8741 -0.0285 0.054 Uiso 1 1 calc R . .
H59C H 0.0218 0.9492 0.0161 0.054 Uiso 1 1 calc R . .
C60 C 0.03521(7) 0.7046(3) -0.00329(11) 0.0362(8) Uani 1 1 d . . .
H60A H 0.0542 0.6825 -0.0010 0.054 Uiso 1 1 calc R . .
H60B H 0.0271 0.7205 -0.0365 0.054 Uiso 1 1 calc R . .
H60C H 0.0249 0.6473 0.0082 0.054 Uiso 1 1 calc R . .
C62 C 0.02531(6) 0.5885(2) 0.21778(11) 0.0291(7) Uani 1 1 d . . .
C64 C 0.01969(7) 0.6597(3) 0.40049(12) 0.0346(8) Uani 1 1 d . . .
C65 C 0.00479(6) 0.6709(2) 0.34849(11) 0.0261(7) Uani 1 1 d . . .
C66 C -0.01069(6) 0.5851(2) 0.32859(11) 0.0317(7) Uani 1 1 d . . .
H66 H -0.0113 0.5229 0.3471 0.038 Uiso 1 1 calc R . .
C67 C 0.00601(8) 1.1363(3) 0.33845(12) 0.0387(8) Uani 1 1 d . . .
C68 C 0.00300(6) 1.0709(2) 0.29293(11) 0.0263(6) Uani 1 1 d . . .
C69 C 0.0000 1.1248(3) 0.2500 0.0354(11) Uani 1 2 d S . .
H69 H 0.0000 1.2002 0.2500 0.042 Uiso 1 2 calc SR . .
C70 C 0.20644(11) 0.0018(4) 0.30531(19) 0.0789(15) Uani 1 1 d . . .
H70A H 0.2138 0.0296 0.2785 0.118 Uiso 1 1 calc R . .
H70B H 0.1907 -0.0436 0.2933 0.118 Uiso 1 1 calc R . .
H70C H 0.2205 -0.0397 0.3262 0.118 Uiso 1 1 calc R . .
C71 C 0.19779(16) 0.0918(6) 0.3327(2) 0.136(3) Uani 1 1 d D C .
H71A H 0.1883 0.1439 0.3093 0.164 Uiso 1 1 calc R . .
H71B H 0.1841 0.0640 0.3502 0.164 Uiso 1 1 calc R . .
C72 C 0.21721(14) 0.1472(5) 0.3652(2) 0.124(3) Uani 1 1 d D . .
H72A H 0.2307 0.1718 0.3481 0.148 Uiso 0.418(6) 1 d PR C 1
H72B H 0.2261 0.0960 0.3879 0.148 Uiso 0.418(6) 1 d PR C 1
H72C H 0.2302 0.1753 0.3478 0.148 Uiso 0.582(6) 1 d PR C 2
H72D H 0.2267 0.0957 0.3871 0.148 Uiso 0.582(6) 1 d PR C 2
C73 C 0.2103(4) 0.2399(11) 0.3933(4) 0.115(2) Uani 0.418(6) 1 d PDU C 1
H73A H 0.1921 0.2275 0.4008 0.138 Uiso 0.418(6) 1 calc PR C 1
H73B H 0.2089 0.3037 0.3728 0.138 Uiso 0.418(6) 1 calc PR C 1
C74 C 0.2303(2) 0.2640(10) 0.4397(4) 0.095(3) Uani 0.418(6) 1 d PDU C 1
H74A H 0.2480 0.2292 0.4391 0.114 Uiso 0.418(6) 1 calc PR C 1
H74B H 0.2334 0.3415 0.4423 0.114 Uiso 0.418(6) 1 calc PR C 1
C75 C 0.2195(3) 0.2255(16) 0.4829(5) 0.144(5) Uani 0.418(6) 1 d PDU C 1
H75A H 0.2297 0.2601 0.5121 0.173 Uiso 0.418(6) 1 calc PR C 1
H75B H 0.2220 0.1478 0.4865 0.173 Uiso 0.418(6) 1 calc PR C 1
C76 C 0.1889(3) 0.2533(15) 0.4760(6) 0.090(3) Uani 0.418(6) 1 d PDU C 1
H76A H 0.1869 0.3243 0.4888 0.134 Uiso 0.418(6) 1 calc PR C 1
H76B H 0.1797 0.2012 0.4928 0.134 Uiso 0.418(6) 1 calc PR C 1
H76C H 0.1807 0.2520 0.4420 0.134 Uiso 0.418(6) 1 calc PR C 1
C73' C 0.2098(3) 0.2364(8) 0.3946(3) 0.115(2) Uani 0.582(6) 1 d PDU C 2
H73C H 0.1941 0.2770 0.3765 0.138 Uiso 0.582(6) 1 calc PR C 2
H73D H 0.2254 0.2852 0.4041 0.138 Uiso 0.582(6) 1 calc PR C 2
C74' C 0.2020(2) 0.1847(7) 0.4389(3) 0.095(3) Uani 0.582(6) 1 d PDU C 2
H74C H 0.1856 0.1397 0.4290 0.114 Uiso 0.582(6) 1 calc PR C 2
H74D H 0.2171 0.1387 0.4548 0.114 Uiso 0.582(6) 1 calc PR C 2
C75' C 0.1962(3) 0.2677(12) 0.4733(4) 0.144(5) Uani 0.582(6) 1 d PDU C 2
H75C H 0.2114 0.3192 0.4794 0.173 Uiso 0.582(6) 1 calc PR C 2
H75D H 0.1949 0.2334 0.5039 0.173 Uiso 0.582(6) 1 calc PR C 2
C76' C 0.16936(19) 0.3267(7) 0.4539(4) 0.090(3) Uani 0.582(6) 1 d PDU C 2
H76D H 0.1708 0.3629 0.4242 0.134 Uiso 0.582(6) 1 calc PR C 2
H76E H 0.1660 0.3791 0.4774 0.134 Uiso 0.582(6) 1 calc PR C 2
H76F H 0.1542 0.2758 0.4478 0.134 Uiso 0.582(6) 1 calc PR C 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'
F F 0.0171 0.0103 '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'
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 Gd1 O3 139.42(7) . .
O1 Gd1 O6 91.61(7) . .
O3 Gd1 O6 101.19(7) . .
O1 Gd1 O9 105.10(7) . .
O3 Gd1 O9 90.77(7) . .
O6 Gd1 O9 137.97(7) . .
O1 Gd1 O10 73.67(7) . .
O3 Gd1 O10 146.79(7) . .
O6 Gd1 O10 75.32(7) . .
O9 Gd1 O10 73.04(7) . .
O1 Gd1 O8 75.13(7) . .
O3 Gd1 O8 73.63(7) . .
O6 Gd1 O8 147.59(7) . .
O9 Gd1 O8 74.44(7) . .
O10 Gd1 O8 126.33(7) . .
O1 Gd1 O7 74.90(7) . .
O3 Gd1 O7 71.43(7) . .
O6 Gd1 O7 75.62(7) . .
O9 Gd1 O7 145.63(7) . .
O10 Gd1 O7 136.02(7) . .
O8 Gd1 O7 72.42(7) . .
O1 Gd1 O5 146.96(7) . .
O3 Gd1 O5 73.18(7) . .
O6 Gd1 O5 72.23(7) . .
O9 Gd1 O5 73.11(7) . .
O10 Gd1 O5 74.40(7) . .
O8 Gd1 O5 132.56(7) . .
O7 Gd1 O5 125.52(7) . .
O11 Gd2 O11 146.11(10) . 2
O11 Gd2 O14 91.97(7) . .
O11 Gd2 O14 99.04(7) 2 .
O11 Gd2 O14 99.04(7) . 2
O11 Gd2 O14 91.97(7) 2 2
O14 Gd2 O14 141.65(10) . 2
O11 Gd2 O13 141.81(7) . 2
O11 Gd2 O13 71.93(7) 2 2
O14 Gd2 O13 72.56(7) . 2
O14 Gd2 O13 76.31(7) 2 2
O11 Gd2 O13 71.93(7) . .
O11 Gd2 O13 141.81(7) 2 .
O14 Gd2 O13 76.31(7) . .
O14 Gd2 O13 72.56(7) 2 .
O13 Gd2 O13 70.55(10) 2 .
O11 Gd2 O15 76.49(7) . .
O11 Gd2 O15 76.13(7) 2 .
O14 Gd2 O15 73.56(7) . .
O14 Gd2 O15 144.73(7) 2 .
O13 Gd2 O15 128.24(7) 2 .
O13 Gd2 O15 135.00(7) . .
O11 Gd2 O15 76.14(7) . 2
O11 Gd2 O15 76.48(7) 2 2
O14 Gd2 O15 144.73(7) . 2
O14 Gd2 O15 73.56(7) 2 2
O13 Gd2 O15 134.99(7) 2 2
O13 Gd2 O15 128.24(7) . 2
O15 Gd2 O15 71.40(9) . 2
F21 C61 F19 105.6(8) . .
F21 C61 F20 106.0(8) . .
F19 C61 F20 104.4(8) . .
F21 C61 C62 111.8(9) . .
F19 C61 C62 115.3(8) . .
F20 C61 C62 112.9(13) . .
F21' C61' F19' 107.9(6) . .
F21' C61' F20' 107.2(7) . .
F19' C61' F20' 108.3(6) . .
F21' C61' C62 110.4(6) . .
F19' C61' C62 111.8(6) . .
F20' C61' C62 111.2(8) . .
N1 O1 Gd1 137.43(16) . .
N4 O3 Gd1 138.97(16) . .
C32 O5 Gd1 133.17(19) . .
C34 O6 Gd1 135.31(19) . .
C37 O7 Gd1 133.37(19) . .
C39 O8 Gd1 133.36(19) . .
C42 O9 Gd1 134.0(2) . .
C44 O10 Gd1 132.7(2) . .
N7 O11 Gd2 137.37(16) . .
C62 O13 Gd2 131.60(19) . .
C65 O14 Gd2 133.51(19) . .
C68 O15 Gd2 135.48(19) . .
O1 N1 C1 125.9(2) . .
O1 N1 C2 119.0(2) . .
C1 N1 C2 114.6(2) . .
O2 N2 C1 125.5(3) . .
O2 N2 C5 121.5(3) . .
C1 N2 C5 112.9(2) . .
C11 N3 C15 120.5(3) . .
C11 N3 C14 118.7(4) . .
C15 N3 C14 118.9(4) . .
O3 N4 C16 126.0(2) . .
O3 N4 C17 119.0(2) . .
C16 N4 C17 114.0(2) . .
O4 N5 C16 125.4(2) . .
O4 N5 C20 122.0(2) . .
C16 N5 C20 112.4(2) . .
C26 N6 C30 119.7(3) . .
C26 N6 C29 120.1(3) . .
C30 N6 C29 117.0(3) . .
O11 N7 C46 125.7(2) . .
O11 N7 C47 119.8(2) . .
C46 N7 C47 114.2(2) . .
O12 N8 C46 125.2(2) . .
O12 N8 C50 121.1(2) . .
C46 N8 C50 113.6(2) . .
C56 N9 C59 120.0(3) . .
C56 N9 C60 119.8(3) . .
C59 N9 C60 116.6(3) . .
N1 C1 N2 107.1(3) . .
N1 C1 C8 127.5(3) . .
N2 C1 C8 125.5(3) . .
N1 C2 C3 109.3(3) . .
N1 C2 C4 106.4(2) . .
C3 C2 C4 109.8(3) . .
N1 C2 C5 100.4(2) . .
C3 C2 C5 115.2(3) . .
C4 C2 C5 114.8(3) . .
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 . .
N2 C5 C7 109.0(3) . .
N2 C5 C6 106.0(3) . .
C7 C5 C6 111.0(3) . .
N2 C5 C2 101.4(2) . .
C7 C5 C2 114.8(3) . .
C6 C5 C2 113.7(3) . .
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 . .
C13 C8 C9 117.3(3) . .
C13 C8 C1 121.6(3) . .
C9 C8 C1 121.2(3) . .
C10 C9 C8 120.8(3) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 121.9(3) . .
C9 C10 H10 119.0 . .
C11 C10 H10 119.0 . .
N3 C11 C10 121.3(3) . .
N3 C11 C12 121.6(4) . .
C10 C11 C12 117.1(3) . .
C13 C12 C11 121.1(4) . .
C13 C12 H12 119.4 . .
C11 C12 H12 119.4 . .
C12 C13 C8 121.8(3) . .
C12 C13 H13 119.1 . .
C8 C13 H13 119.1 . .
N3 C14 H14A 109.5 . .
N3 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N3 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N3 C15 H15A 109.5 . .
N3 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N3 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N4 C16 N5 107.1(2) . .
N4 C16 C23 127.3(3) . .
N5 C16 C23 125.5(3) . .
N4 C17 C19 110.4(2) . .
N4 C17 C18 105.6(2) . .
C19 C17 C18 110.5(3) . .
N4 C17 C20 100.1(2) . .
C19 C17 C20 115.3(3) . .
C18 C17 C20 114.0(3) . .
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 . .
N5 C20 C22 109.2(2) . .
N5 C20 C21 106.9(2) . .
C22 C20 C21 110.5(3) . .
N5 C20 C17 101.0(2) . .
C22 C20 C17 114.8(3) . .
C21 C20 C17 113.8(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C28 C23 C24 117.7(3) . .
C28 C23 C16 120.8(3) . .
C24 C23 C16 121.5(3) . .
C25 C24 C23 120.9(3) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 121.5(3) . .
C24 C25 H25 119.2 . .
C26 C25 H25 119.2 . .
N6 C26 C27 121.3(3) . .
N6 C26 C25 121.6(3) . .
C27 C26 C25 117.1(3) . .
C28 C27 C26 121.3(3) . .
C28 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
C27 C28 C23 121.4(3) . .
C27 C28 H28 119.3 . .
C23 C28 H28 119.3 . .
N6 C29 H29A 109.5 . .
N6 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N6 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N6 C30 H30A 109.5 . .
N6 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N6 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
F2 C31 F3 107.1(3) . .
F2 C31 F1 105.9(4) . .
F3 C31 F1 105.4(3) . .
F2 C31 C32 111.6(3) . .
F3 C31 C32 114.8(3) . .
F1 C31 C32 111.4(3) . .
O5 C32 C33 128.1(3) . .
O5 C32 C31 114.0(3) . .
C33 C32 C31 117.9(3) . .
C32 C33 C34 121.7(3) . .
C32 C33 H33 119.2 . .
C34 C33 H33 119.2 . .
O6 C34 C33 128.0(3) . .
O6 C34 C35 114.3(3) . .
C33 C34 C35 117.6(3) . .
F6 C35 F5 107.4(3) . .
F6 C35 F4 107.0(3) . .
F5 C35 F4 106.5(2) . .
F6 C35 C34 112.3(2) . .
F5 C35 C34 113.4(3) . .
F4 C35 C34 109.8(2) . .
F8 C36 F7 108.0(3) . .
F8 C36 F9 106.5(3) . .
F7 C36 F9 105.7(3) . .
F8 C36 C37 111.6(3) . .
F7 C36 C37 110.2(3) . .
F9 C36 C37 114.4(3) . .
O7 C37 C38 128.5(3) . .
O7 C37 C36 113.4(3) . .
C38 C37 C36 118.2(3) . .
C39 C38 C37 121.9(3) . .
C39 C38 H38 119.0 . .
C37 C38 H38 119.0 . .
O8 C39 C38 128.5(3) . .
O8 C39 C40 113.4(3) . .
C38 C39 C40 118.2(3) . .
F11 C40 F12 107.9(3) . .
F11 C40 F10 106.5(3) . .
F12 C40 F10 105.7(3) . .
F11 C40 C39 111.0(3) . .
F12 C40 C39 111.3(3) . .
F10 C40 C39 114.0(3) . .
F14 C41 F13 106.3(3) . .
F14 C41 F15 106.9(3) . .
F13 C41 F15 107.4(3) . .
F14 C41 C42 112.8(3) . .
F13 C41 C42 110.3(3) . .
F15 C41 C42 112.7(3) . .
O9 C42 C43 128.4(3) . .
O9 C42 C41 113.8(3) . .
C43 C42 C41 117.7(3) . .
C44 C43 C42 121.8(3) . .
C44 C43 H43 119.1 . .
C42 C43 H43 119.1 . .
O10 C44 C43 128.2(3) . .
O10 C44 C45 113.7(3) . .
C43 C44 C45 118.1(3) . .
F18' C45 F17 127.2(8) . .
F18' C45 F16 61.3(10) . .
F17 C45 F16 112.0(5) . .
F18' C45 F18 40.0(10) . .
F17 C45 F18 107.1(5) . .
F16 C45 F18 100.5(4) . .
F18' C45 F17' 113.1(12) . .
F17 C45 F17' 32.4(6) . .
F16 C45 F17' 135.8(7) . .
F18 C45 F17' 80.0(8) . .
F18' C45 F16' 111.0(10) . .
F17 C45 F16' 62.1(6) . .
F16 C45 F16' 56.0(5) . .
F18 C45 F16' 137.8(5) . .
F17' C45 F16' 94.1(8) . .
F18' C45 C44 116.8(7) . .
F17 C45 C44 113.9(4) . .
F16 C45 C44 111.2(4) . .
F18 C45 C44 111.3(3) . .
F17' C45 C44 109.4(7) . .
F16' C45 C44 110.1(5) . .
N7 C46 N8 107.5(2) . .
N7 C46 C53 128.2(3) . .
N8 C46 C53 124.2(3) . .
N7 C47 C49 106.2(2) . .
N7 C47 C48 108.8(2) . .
C49 C47 C48 110.0(3) . .
N7 C47 C50 101.8(2) . .
C49 C47 C50 115.0(3) . .
C48 C47 C50 114.3(3) . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C47 C49 H49A 109.5 . .
C47 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C47 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N8 C50 C51 108.4(2) . .
N8 C50 C52 106.9(2) . .
C51 C50 C52 109.4(3) . .
N8 C50 C47 101.1(2) . .
C51 C50 C47 114.9(3) . .
C52 C50 C47 115.3(3) . .
C50 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C50 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
C58 C53 C54 118.3(3) . .
C58 C53 C46 121.1(3) . .
C54 C53 C46 120.6(3) . .
C55 C54 C53 120.9(3) . .
C55 C54 H54 119.6 . .
C53 C54 H54 119.6 . .
C54 C55 C56 121.2(3) . .
C54 C55 H55 119.4 . .
C56 C55 H55 119.4 . .
N9 C56 C55 121.1(3) . .
N9 C56 C57 121.6(3) . .
C55 C56 C57 117.2(3) . .
C58 C57 C56 121.5(3) . .
C58 C57 H57 119.2 . .
C56 C57 H57 119.2 . .
C57 C58 C53 120.9(3) . .
C57 C58 H58 119.6 . .
C53 C58 H58 119.6 . .
N9 C59 H59A 109.5 . .
N9 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N9 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N9 C60 H60A 109.5 . .
N9 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N9 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
O13 C62 C66 128.7(3) . 2
O13 C62 C61' 112.5(4) . .
C66 C62 C61' 118.1(4) 2 .
O13 C62 C61 115.2(5) . .
C66 C62 C61 115.1(5) 2 .
C61' C62 C61 20.9(4) . .
F24 C64 F22 107.9(3) . .
F24 C64 F23 106.4(3) . .
F22 C64 F23 105.2(3) . .
F24 C64 C65 114.2(3) . .
F22 C64 C65 111.0(3) . .
F23 C64 C65 111.7(3) . .
O14 C65 C66 128.7(3) . .
O14 C65 C64 114.3(3) . .
C66 C65 C64 116.9(3) . .
C65 C66 C62 121.2(3) . 2
C65 C66 H66 119.4 . .
C62 C66 H66 119.4 2 .
F25 C67 F26 105.4(4) . .
F25 C67 F27 106.4(3) . .
F26 C67 F27 105.3(3) . .
F25 C67 C68 111.9(3) . .
F26 C67 C68 111.6(3) . .
F27 C67 C68 115.5(3) . .
O15 C68 C69 128.2(3) . .
O15 C68 C67 113.9(3) . .
C69 C68 C67 117.9(3) . .
C68 C69 C68 121.3(4) . 2
C68 C69 H69 119.4 . .
C68 C69 H69 119.4 2 .
C71 C70 H70A 109.5 . .
C71 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C71 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C72 C71 C70 119.8(6) . .
C72 C71 H71A 107.4 . .
C70 C71 H71A 107.4 . .
C72 C71 H71B 107.4 . .
C70 C71 H71B 107.4 . .
H71A C71 H71B 106.9 . .
C71 C72 C73' 122.4(8) . .
C71 C72 C73 123.2(8) . .
C73' C72 C73 2.7(12) . .
C71 C72 H72A 106.6 . .
C73' C72 H72A 108.9 . .
C73 C72 H72A 106.3 . .
C71 C72 H72B 106.5 . .
C73' C72 H72B 104.8 . .
C73 C72 H72B 106.6 . .
H72A C72 H72B 106.8 . .
C71 C72 H72C 106.9 . .
C73' C72 H72C 106.5 . .
C73 C72 H72C 103.9 . .
H72A C72 H72C 3.0 . .
H72B C72 H72C 109.4 . .
C71 C72 H72D 106.7 . .
C73' C72 H72D 106.6 . .
C73 C72 H72D 108.3 . .
H72A C72 H72D 104.3 . .
H72B C72 H72D 2.6 . .
H72C C72 H72D 106.9 . .
C72 C73 C74 116.3(11) . .
C72 C73 H73A 108.2 . .
C74 C73 H73A 108.2 . .
C72 C73 H73B 108.2 . .
C74 C73 H73B 108.2 . .
H73A C73 H73B 107.4 . .
C75 C74 C73 111.8(9) . .
C75 C74 H74A 109.3 . .
C73 C74 H74A 109.3 . .
C75 C74 H74B 109.3 . .
C73 C74 H74B 109.3 . .
H74A C74 H74B 107.9 . .
C74 C75 C76 108.7(8) . .
C74 C75 H75A 109.9 . .
C76 C75 H75A 109.9 . .
C74 C75 H75B 109.9 . .
C76 C75 H75B 109.9 . .
H75A C75 H75B 108.3 . .
C72 C73' C74' 106.1(7) . .
C72 C73' H73C 110.5 . .
C74' C73' H73C 110.5 . .
C72 C73' H73D 110.5 . .
C74' C73' H73D 110.5 . .
H73C C73' H73D 108.7 . .
C75' C74' C73' 110.9(8) . .
C75' C74' H74C 109.4 . .
C73' C74' H74C 109.4 . .
C75' C74' H74D 109.4 . .
C73' C74' H74D 109.4 . .
H74C C74' H74D 108.0 . .
C74' C75' C76' 111.4(8) . .
C74' C75' H75C 109.3 . .
C76' C75' H75C 109.3 . .
C74' C75' H75D 109.3 . .
C76' C75' H75D 109.3 . .
H75C C75' H75D 108.0 . .
C75' C76' H76D 109.5 . .
C75' C76' H76E 109.5 . .
H76D C76' H76E 109.5 . .
C75' C76' H76F 109.5 . .
H76D C76' H76F 109.5 . .
H76E C76' H76F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.3329(19) .
Gd1 O3 2.3411(19) .
Gd1 O6 2.3482(19) .
Gd1 O9 2.348(2) .
Gd1 O10 2.392(2) .
Gd1 O8 2.3942(19) .
Gd1 O7 2.4004(19) .
Gd1 O5 2.4157(19) .
Gd2 O11 2.3621(19) .
Gd2 O11 2.3622(19) 2
Gd2 O14 2.3640(19) .
Gd2 O14 2.3641(19) 2
Gd2 O13 2.3990(19) 2
Gd2 O13 2.3991(19) .
Gd2 O15 2.3991(19) .
Gd2 O15 2.3992(19) 2
F1 C31 1.313(4) .
F2 C31 1.285(4) .
F3 C31 1.304(4) .
F4 C35 1.334(4) .
F5 C35 1.331(3) .
F6 C35 1.322(4) .
F7 C36 1.312(4) .
F8 C36 1.308(4) .
F9 C36 1.323(4) .
F10 C40 1.321(4) .
F11 C40 1.307(4) .
F12 C40 1.311(4) .
F13 C41 1.328(4) .
F14 C41 1.311(4) .
F15 C41 1.331(4) .
F16 C45 1.341(6) .
F17 C45 1.244(7) .
F18 C45 1.376(6) .
F16' C45 1.419(10) .
F17' C45 1.379(14) .
F18' C45 1.105(11) .
C61 F21 1.324(9) .
C61 F19 1.337(9) .
C61 F20 1.346(9) .
C61 C62 1.564(13) .
C61' F21' 1.317(7) .
C61' F19' 1.324(7) .
C61' F20' 1.325(7) .
C61' C62 1.514(9) .
F22 C64 1.318(4) .
F23 C64 1.323(4) .
F24 C64 1.312(4) .
F25 C67 1.276(4) .
F26 C67 1.286(4) .
F27 C67 1.292(4) .
O1 N1 1.312(3) .
O2 N2 1.277(3) .
O3 N4 1.306(3) .
O4 N5 1.271(3) .
O5 C32 1.251(4) .
O6 C34 1.250(3) .
O7 C37 1.246(3) .
O8 C39 1.251(3) .
O9 C42 1.246(4) .
O10 C44 1.251(4) .
O11 N7 1.309(3) .
O12 N8 1.266(3) .
O13 C62 1.254(4) .
O14 C65 1.250(3) .
O15 C68 1.244(4) .
N1 C1 1.326(4) .
N1 C2 1.496(4) .
N2 C1 1.368(4) .
N2 C5 1.490(4) .
N3 C11 1.382(5) .
N3 C15 1.446(6) .
N3 C14 1.446(6) .
N4 C16 1.329(4) .
N4 C17 1.497(4) .
N5 C16 1.368(4) .
N5 C20 1.495(4) .
N6 C26 1.370(4) .
N6 C30 1.447(4) .
N6 C29 1.453(4) .
N7 C46 1.327(4) .
N7 C47 1.503(4) .
N8 C46 1.370(4) .
N8 C50 1.498(4) .
N9 C56 1.377(4) .
N9 C59 1.444(4) .
N9 C60 1.453(4) .
C1 C8 1.446(4) .
C2 C3 1.519(4) .
C2 C4 1.522(5) .
C2 C5 1.553(5) .
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 C7 1.516(5) .
C5 C6 1.525(5) .
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 C13 1.393(4) .
C8 C9 1.401(4) .
C9 C10 1.378(5) .
C9 H9 0.9500 .
C10 C11 1.393(6) .
C10 H10 0.9500 .
C11 C12 1.399(5) .
C12 C13 1.374(5) .
C12 H12 0.9500 .
C13 H13 0.9500 .
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 C23 1.450(4) .
C17 C19 1.508(4) .
C17 C18 1.527(4) .
C17 C20 1.552(4) .
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 C22 1.522(4) .
C20 C21 1.523(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C28 1.398(4) .
C23 C24 1.402(4) .
C24 C25 1.377(4) .
C24 H24 0.9500 .
C25 C26 1.407(4) .
C25 H25 0.9500 .
C26 C27 1.403(4) .
C27 C28 1.374(4) .
C27 H27 0.9500 .
C28 H28 0.9500 .
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 C32 1.525(4) .
C32 C33 1.382(4) .
C33 C34 1.391(4) .
C33 H33 0.9500 .
C34 C35 1.527(4) .
C36 C37 1.535(4) .
C37 C38 1.387(4) .
C38 C39 1.385(4) .
C38 H38 0.9500 .
C39 C40 1.531(4) .
C41 C42 1.534(5) .
C42 C43 1.388(5) .
C43 C44 1.384(5) .
C43 H43 0.9500 .
C44 C45 1.531(5) .
C46 C53 1.449(4) .
C47 C49 1.519(4) .
C47 C48 1.521(4) .
C47 C50 1.556(4) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C50 C51 1.520(4) .
C50 C52 1.521(4) .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C58 1.393(4) .
C53 C54 1.399(4) .
C54 C55 1.379(4) .
C54 H54 0.9500 .
C55 C56 1.402(4) .
C55 H55 0.9500 .
C56 C57 1.406(4) .
C57 C58 1.374(4) .
C57 H57 0.9500 .
C58 H58 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C62 C66 1.385(4) 2
C64 C65 1.535(4) .
C65 C66 1.385(4) .
C66 C62 1.385(4) 2
C66 H66 0.9500 .
C67 C68 1.525(4) .
C68 C69 1.387(4) .
C69 C68 1.387(4) 2
C69 H69 0.9500 .
C70 C71 1.490(7) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 C72 1.394(8) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 C73' 1.494(8) .
C72 C73 1.496(10) .
C72 H72A 0.9595 .
C72 H72B 0.9601 .
C72 H72C 0.9596 .
C72 H72D 0.9601 .
C73 C74 1.527(10) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 C75 1.523(9) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 C76 1.541(10) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C73' C74' 1.541(10) .
C73' H73C 0.9900 .
C73' H73D 0.9900 .
C74' C75' 1.504(9) .
C74' H74C 0.9900 .
C74' H74D 0.9900 .
C75' C76' 1.537(10) .
C75' H75C 0.9900 .
C75' H75D 0.9900 .
C76' H76D 0.9800 .
C76' H76E 0.9800 .
C76' H76F 0.9800 .
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
_geom_torsion_site_symmetry_4
O3 Gd1 O1 N1 -174.2(2) . .
O6 Gd1 O1 N1 -64.9(2) . .
O9 Gd1 O1 N1 76.1(3) . .
O10 Gd1 O1 N1 9.3(2) . .
O8 Gd1 O1 N1 145.1(3) . .
O7 Gd1 O1 N1 -139.5(3) . .
O5 Gd1 O1 N1 -6.0(3) . .
O1 Gd1 O3 N4 -174.1(2) . .
O6 Gd1 O3 N4 79.9(2) . .
O9 Gd1 O3 N4 -59.5(2) . .
O10 Gd1 O3 N4 -0.3(3) . .
O8 Gd1 O3 N4 -133.0(3) . .
O7 Gd1 O3 N4 150.5(3) . .
O5 Gd1 O3 N4 12.6(2) . .
O1 Gd1 O5 C32 -52.3(3) . .
O3 Gd1 O5 C32 119.7(3) . .
O6 Gd1 O5 C32 11.7(3) . .
O9 Gd1 O5 C32 -144.2(3) . .
O10 Gd1 O5 C32 -67.6(3) . .
O8 Gd1 O5 C32 167.1(2) . .
O7 Gd1 O5 C32 68.4(3) . .
O1 Gd1 O6 C34 138.4(3) . .
O3 Gd1 O6 C34 -80.3(3) . .
O9 Gd1 O6 C34 23.6(3) . .
O10 Gd1 O6 C34 65.8(3) . .
O8 Gd1 O6 C34 -157.3(2) . .
O7 Gd1 O6 C34 -147.6(3) . .
O5 Gd1 O6 C34 -12.2(2) . .
O1 Gd1 O7 C37 -92.3(2) . .
O3 Gd1 O7 C37 64.7(2) . .
O6 Gd1 O7 C37 172.0(3) . .
O9 Gd1 O7 C37 2.4(3) . .
O10 Gd1 O7 C37 -138.0(2) . .
O8 Gd1 O7 C37 -13.5(2) . .
O5 Gd1 O7 C37 116.7(2) . .
O1 Gd1 O8 C39 92.7(3) . .
O3 Gd1 O8 C39 -61.0(2) . .
O6 Gd1 O8 C39 24.1(3) . .
O9 Gd1 O8 C39 -156.5(3) . .
O10 Gd1 O8 C39 148.9(2) . .
O7 Gd1 O8 C39 14.2(2) . .
O5 Gd1 O8 C39 -108.2(2) . .
O1 Gd1 O9 C42 -80.6(3) . .
O3 Gd1 O9 C42 137.2(3) . .
O6 Gd1 O9 C42 29.5(3) . .
O10 Gd1 O9 C42 -13.3(3) . .
O8 Gd1 O9 C42 -150.0(3) . .
O7 Gd1 O9 C42 -165.8(2) . .
O5 Gd1 O9 C42 65.1(3) . .
O1 Gd1 O10 C44 125.4(3) . .
O3 Gd1 O10 C44 -50.4(3) . .
O6 Gd1 O10 C44 -138.5(3) . .
O9 Gd1 O10 C44 13.5(3) . .
O8 Gd1 O10 C44 68.6(3) . .
O7 Gd1 O10 C44 171.4(2) . .
O5 Gd1 O10 C44 -63.2(3) . .
O11 Gd2 O11 N7 179.6(3) 2 .
O14 Gd2 O11 N7 70.1(2) . .
O14 Gd2 O11 N7 -73.0(2) 2 .
O13 Gd2 O11 N7 6.3(3) 2 .
O13 Gd2 O11 N7 -4.8(2) . .
O15 Gd2 O11 N7 142.7(3) . .
O15 Gd2 O11 N7 -143.5(3) 2 .
O11 Gd2 O13 C62 -126.3(3) . .
O11 Gd2 O13 C62 49.7(3) 2 .
O14 Gd2 O13 C62 137.0(3) . .
O14 Gd2 O13 C62 -20.3(3) 2 .
O13 Gd2 O13 C62 60.9(2) 2 .
O15 Gd2 O13 C62 -174.0(2) . .
O15 Gd2 O13 C62 -71.6(3) 2 .
O11 Gd2 O14 C65 -127.5(3) . .
O11 Gd2 O14 C65 84.7(3) 2 .
O14 Gd2 O14 C65 -20.2(2) 2 .
O13 Gd2 O14 C65 17.0(2) 2 .
O13 Gd2 O14 C65 -56.6(3) . .
O15 Gd2 O14 C65 157.2(3) . .
O15 Gd2 O14 C65 164.0(2) 2 .
O11 Gd2 O15 C68 79.8(3) . .
O11 Gd2 O15 C68 -80.0(3) 2 .
O14 Gd2 O15 C68 176.0(3) . .
O14 Gd2 O15 C68 -6.7(3) 2 .
O13 Gd2 O15 C68 -133.0(2) 2 .
O13 Gd2 O15 C68 126.1(2) . .
O15 Gd2 O15 C68 0.2(2) 2 .
Gd1 O1 N1 C1 -79.2(3) . .
Gd1 O1 N1 C2 109.2(3) . .
Gd1 O3 N4 C16 -82.5(3) . .
Gd1 O3 N4 C17 110.3(3) . .
Gd2 O11 N7 C46 82.7(3) . .
Gd2 O11 N7 C47 -105.0(3) . .
O1 N1 C1 N2 -178.6(2) . .
C2 N1 C1 N2 -6.7(3) . .
O1 N1 C1 C8 0.4(5) . .
C2 N1 C1 C8 172.3(3) . .
O2 N2 C1 N1 178.1(3) . .
C5 N2 C1 N1 -6.9(3) . .
O2 N2 C1 C8 -1.0(5) . .
C5 N2 C1 C8 174.1(3) . .
O1 N1 C2 C3 -49.7(4) . .
C1 N1 C2 C3 137.8(3) . .
O1 N1 C2 C4 68.8(3) . .
C1 N1 C2 C4 -103.6(3) . .
O1 N1 C2 C5 -171.3(2) . .
C1 N1 C2 C5 16.2(3) . .
O2 N2 C5 C7 -46.9(4) . .
C1 N2 C5 C7 137.8(3) . .
O2 N2 C5 C6 72.6(4) . .
C1 N2 C5 C6 -102.7(3) . .
O2 N2 C5 C2 -168.4(3) . .
C1 N2 C5 C2 16.3(3) . .
N1 C2 C5 N2 -17.7(3) . .
C3 C2 C5 N2 -135.0(3) . .
C4 C2 C5 N2 96.0(3) . .
N1 C2 C5 C7 -135.0(3) . .
C3 C2 C5 C7 107.8(4) . .
C4 C2 C5 C7 -21.3(4) . .
N1 C2 C5 C6 95.6(3) . .
C3 C2 C5 C6 -21.6(4) . .
C4 C2 C5 C6 -150.7(3) . .
N1 C1 C8 C13 -26.1(5) . .
N2 C1 C8 C13 152.7(3) . .
N1 C1 C8 C9 154.9(3) . .
N2 C1 C8 C9 -26.3(4) . .
C13 C8 C9 C10 -1.2(5) . .
C1 C8 C9 C10 177.8(3) . .
C8 C9 C10 C11 0.2(5) . .
C15 N3 C11 C10 172.1(4) . .
C14 N3 C11 C10 8.0(5) . .
C15 N3 C11 C12 -7.9(5) . .
C14 N3 C11 C12 -172.0(4) . .
C9 C10 C11 N3 -178.4(3) . .
C9 C10 C11 C12 1.6(5) . .
N3 C11 C12 C13 177.6(3) . .
C10 C11 C12 C13 -2.4(5) . .
C11 C12 C13 C8 1.4(5) . .
C9 C8 C13 C12 0.4(4) . .
C1 C8 C13 C12 -178.6(3) . .
O3 N4 C16 N5 -177.3(2) . .
C17 N4 C16 N5 -9.5(3) . .
O3 N4 C16 C23 0.1(4) . .
C17 N4 C16 C23 168.0(3) . .
O4 N5 C16 N4 177.3(3) . .
C20 N5 C16 N4 -7.0(3) . .
O4 N5 C16 C23 -0.3(4) . .
C20 N5 C16 C23 175.5(3) . .
O3 N4 C17 C19 -48.7(3) . .
C16 N4 C17 C19 142.5(3) . .
O3 N4 C17 C18 70.7(3) . .
C16 N4 C17 C18 -98.0(3) . .
O3 N4 C17 C20 -170.7(2) . .
C16 N4 C17 C20 20.6(3) . .
O4 N5 C20 C22 -43.8(4) . .
C16 N5 C20 C22 140.3(3) . .
O4 N5 C20 C21 75.7(3) . .
C16 N5 C20 C21 -100.2(3) . .
O4 N5 C20 C17 -165.0(2) . .
C16 N5 C20 C17 19.0(3) . .
N4 C17 C20 N5 -21.5(3) . .
C19 C17 C20 N5 -139.9(3) . .
C18 C17 C20 N5 90.6(3) . .
N4 C17 C20 C22 -138.8(3) . .
C19 C17 C20 C22 102.9(3) . .
C18 C17 C20 C22 -26.6(4) . .
N4 C17 C20 C21 92.6(3) . .
C19 C17 C20 C21 -25.8(4) . .
C18 C17 C20 C21 -155.2(3) . .
N4 C16 C23 C28 -26.9(4) . .
N5 C16 C23 C28 150.1(3) . .
N4 C16 C23 C24 154.3(3) . .
N5 C16 C23 C24 -28.7(4) . .
C28 C23 C24 C25 -1.6(4) . .
C16 C23 C24 C25 177.2(3) . .
C23 C24 C25 C26 -0.4(4) . .
C30 N6 C26 C27 -5.5(4) . .
C29 N6 C26 C27 -164.6(3) . .
C30 N6 C26 C25 174.4(3) . .
C29 N6 C26 C25 15.3(4) . .
C24 C25 C26 N6 -177.7(3) . .
C24 C25 C26 C27 2.2(4) . .
N6 C26 C27 C28 177.8(3) . .
C25 C26 C27 C28 -2.2(4) . .
C26 C27 C28 C23 0.2(4) . .
C24 C23 C28 C27 1.7(4) . .
C16 C23 C28 C27 -177.1(3) . .
Gd1 O5 C32 C33 -9.7(5) . .
Gd1 O5 C32 C31 170.5(2) . .
F2 C31 C32 O5 -56.4(4) . .
F3 C31 C32 O5 -178.6(3) . .
F1 C31 C32 O5 61.8(4) . .
F2 C31 C32 C33 123.8(4) . .
F3 C31 C32 C33 1.6(5) . .
F1 C31 C32 C33 -118.0(3) . .
O5 C32 C33 C34 0.7(5) . .
C31 C32 C33 C34 -179.5(3) . .
Gd1 O6 C34 C33 10.5(5) . .
Gd1 O6 C34 C35 -166.61(18) . .
C32 C33 C34 O6 -0.8(5) . .
C32 C33 C34 C35 176.2(3) . .
O6 C34 C35 F6 -33.1(4) . .
C33 C34 C35 F6 149.5(3) . .
O6 C34 C35 F5 -155.1(3) . .
C33 C34 C35 F5 27.5(4) . .
O6 C34 C35 F4 85.9(3) . .
C33 C34 C35 F4 -91.6(3) . .
Gd1 O7 C37 C38 9.7(5) . .
Gd1 O7 C37 C36 -171.13(18) . .
F8 C36 C37 O7 57.7(4) . .
F7 C36 C37 O7 -62.3(4) . .
F9 C36 C37 O7 178.8(3) . .
F8 C36 C37 C38 -123.0(3) . .
F7 C36 C37 C38 117.0(3) . .
F9 C36 C37 C38 -1.9(4) . .
O7 C37 C38 C39 2.1(5) . .
C36 C37 C38 C39 -177.0(3) . .
Gd1 O8 C39 C38 -11.2(5) . .
Gd1 O8 C39 C40 168.68(18) . .
C37 C38 C39 O8 -1.4(5) . .
C37 C38 C39 C40 178.8(3) . .
O8 C39 C40 F11 -69.3(4) . .
C38 C39 C40 F11 110.6(3) . .
O8 C39 C40 F12 50.9(4) . .
C38 C39 C40 F12 -129.2(3) . .
O8 C39 C40 F10 170.4(3) . .
C38 C39 C40 F10 -9.7(4) . .
Gd1 O9 C42 C43 10.3(5) . .
Gd1 O9 C42 C41 -166.9(2) . .
F14 C41 C42 O9 -35.8(4) . .
F13 C41 C42 O9 83.0(4) . .
F15 C41 C42 O9 -157.0(3) . .
F14 C41 C42 C43 146.6(3) . .
F13 C41 C42 C43 -94.6(4) . .
F15 C41 C42 C43 25.5(5) . .
O9 C42 C43 C44 0.9(6) . .
C41 C42 C43 C44 178.0(3) . .
Gd1 O10 C44 C43 -10.8(5) . .
Gd1 O10 C44 C45 170.0(2) . .
C42 C43 C44 O10 -0.4(6) . .
C42 C43 C44 C45 178.7(3) . .
O10 C44 C45 F18' -71.8(14) . .
C43 C44 C45 F18' 109.0(14) . .
O10 C44 C45 F17 93.0(6) . .
C43 C44 C45 F17 -86.3(6) . .
O10 C44 C45 F16 -139.4(5) . .
C43 C44 C45 F16 41.4(6) . .
O10 C44 C45 F18 -28.2(5) . .
C43 C44 C45 F18 152.6(4) . .
O10 C44 C45 F17' 58.4(9) . .
C43 C44 C45 F17' -120.9(8) . .
O10 C44 C45 F16' 160.5(7) . .
C43 C44 C45 F16' -18.8(8) . .
O11 N7 C46 N8 177.5(2) . .
C47 N7 C46 N8 4.9(3) . .
O11 N7 C46 C53 0.0(5) . .
C47 N7 C46 C53 -172.7(3) . .
O12 N8 C46 N7 -178.3(3) . .
C50 N8 C46 N7 5.0(3) . .
O12 N8 C46 C53 -0.7(5) . .
C50 N8 C46 C53 -177.4(3) . .
O11 N7 C47 C49 -64.3(3) . .
C46 N7 C47 C49 108.8(3) . .
O11 N7 C47 C48 54.0(3) . .
C46 N7 C47 C48 -132.8(3) . .
O11 N7 C47 C50 175.0(2) . .
C46 N7 C47 C50 -11.8(3) . .
O12 N8 C50 C51 50.2(4) . .
C46 N8 C50 C51 -133.0(3) . .
O12 N8 C50 C52 -67.7(3) . .
C46 N8 C50 C52 109.1(3) . .
O12 N8 C50 C47 171.4(3) . .
C46 N8 C50 C47 -11.8(3) . .
N7 C47 C50 N8 12.8(3) . .
C49 C47 C50 N8 -101.5(3) . .
C48 C47 C50 N8 129.9(3) . .
N7 C47 C50 C51 129.3(3) . .
C49 C47 C50 C51 15.0(4) . .
C48 C47 C50 C51 -113.6(3) . .
N7 C47 C50 C52 -102.0(3) . .
C49 C47 C50 C52 143.7(3) . .
C48 C47 C50 C52 15.1(4) . .
N7 C46 C53 C58 32.6(5) . .
N8 C46 C53 C58 -144.6(3) . .
N7 C46 C53 C54 -149.0(3) . .
N8 C46 C53 C54 33.9(4) . .
C58 C53 C54 C55 0.1(4) . .
C46 C53 C54 C55 -178.4(3) . .
C53 C54 C55 C56 1.3(5) . .
C59 N9 C56 C55 173.4(3) . .
C60 N9 C56 C55 15.3(4) . .
C59 N9 C56 C57 -7.6(4) . .
C60 N9 C56 C57 -165.7(3) . .
C54 C55 C56 N9 177.3(3) . .
C54 C55 C56 C57 -1.8(4) . .
N9 C56 C57 C58 -178.2(3) . .
C55 C56 C57 C58 0.9(4) . .
C56 C57 C58 C53 0.5(4) . .
C54 C53 C58 C57 -1.0(4) . .
C46 C53 C58 C57 177.5(3) . .
Gd2 O13 C62 C66 18.4(5) . 2
Gd2 O13 C62 C61' -171.6(3) . .
Gd2 O13 C62 C61 -148.9(4) . .
F21' C61' C62 O13 41.2(7) . .
F19' C61' C62 O13 -78.9(6) . .
F20' C61' C62 O13 160.0(5) . .
F21' C61' C62 C66 -147.6(5) . 2
F19' C61' C62 C66 92.3(6) . 2
F20' C61' C62 C66 -28.9(7) . 2
F21' C61' C62 C61 -60.6(16) . .
F19' C61' C62 C61 179(2) . .
F20' C61' C62 C61 58.1(15) . .
F21 C61 C62 O13 -43.5(9) . .
F19 C61 C62 O13 77.1(8) . .
F20 C61 C62 O13 -162.9(7) . .
F21 C61 C62 C66 147.4(7) . 2
F19 C61 C62 C66 -91.9(8) . 2
F20 C61 C62 C66 28.0(9) . 2
F21 C61 C62 C61' 43.9(14) . .
F19 C61 C62 C61' 165(2) . .
F20 C61 C62 C61' -75.5(17) . .
Gd2 O14 C65 C66 -10.9(5) . .
Gd2 O14 C65 C64 167.42(19) . .
F24 C64 C65 O14 160.3(3) . .
F22 C64 C65 O14 -77.5(4) . .
F23 C64 C65 O14 39.5(4) . .
F24 C64 C65 C66 -21.1(4) . .
F22 C64 C65 C66 101.0(3) . .
F23 C64 C65 C66 -141.9(3) . .
O14 C65 C66 C62 -3.0(5) . 2
C64 C65 C66 C62 178.7(3) . 2
Gd2 O15 C68 C69 -0.3(4) . .
Gd2 O15 C68 C67 179.49(19) . .
F25 C67 C68 O15 56.5(5) . .
F26 C67 C68 O15 -61.4(4) . .
F27 C67 C68 O15 178.4(3) . .
F25 C67 C68 C69 -123.7(4) . .
F26 C67 C68 C69 118.4(3) . .
F27 C67 C68 C69 -1.8(4) . .
O15 C68 C69 C68 0.2(2) . 2
C67 C68 C69 C68 -179.7(3) . 2
C70 C71 C72 C73' -178.4(7) . .
C70 C71 C72 C73 178.6(10) . .
C71 C72 C73 C74 156.7(11) . .
C73' C72 C73 C74 83(25) . .
C72 C73 C74 C75 -102.3(17) . .
C73 C74 C75 C76 -42.7(17) . .
C71 C72 C73' C74' 85.4(12) . .
C73 C72 C73' C74' -167(26) . .
C72 C73' C74' C75' 175.5(9) . .
C73' C74' C75' C76' 70.5(15) . .
