# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Takayuki Ishida'
_publ_contact_author_address     
;
Department of Applied Physics and Chemistry, The University of
Electro-Communications, Chofu, Tokyo 182-8585, Japan
;
_publ_contact_author_email       ishi@pc.uec.ac.jp
_publ_contact_author_fax         ' +81-424-43-5501 '
_publ_contact_author_phone       ' +81-424-43-5490 '

_publ_section_title              
;
The first A2B2-heterometal ferrimagnetic chain.
Structures and magnetic properties of polymeric [Gd2Cu2]n and the
corresponding monomer
;

_publ_section_references         
;
Rigaku/MSC and Rigaku Corporation. (2003).
CrystalStructure.
Single Crystal Structure Analysis Software. Version 3.5.1.
Rigaku/MSC, 9009 New Trails Drive, The Woodlands, TX, USA 77381-5209.
Rigaku, 3-9-12 Akishima, Tokyo 196-8666, Japan.
Watkin, D.J., Prout, C.K. Carruthers, J.R. & Betteridge, P.W. (1996)
CRYSTALS Issue 10, Chemical Crystallography Laboratory, Oxford, UK.
;
loop_
_publ_author_name
'Takayuki Ishida'
'Yasuko Kobayashi'
'Takashi Nogami'
'Sohei Ueki'

#==============================================================================

# End of CIF

#==============================================================================

data_Gd2Cu2
_database_code_depnum_ccdc_archive 'CCDC 280386'

_audit_creation_date             2005-05-20
_audit_creation_method           'by CrystalStructure v3.5.1'

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum            'C20 H22 Cu F12 Gd N4 O10 '
_chemical_formula_moiety         'C20 H22 Cu F12 Gd N4 O10 '
_chemical_formula_weight         927.19

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1 '
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

#------------------------------------------------------------------------------

_cell_length_a                   10.556(7)
_cell_length_b                   11.115(9)
_cell_length_c                   14.15(1)
_cell_angle_alpha                71.78(6)
_cell_angle_beta                 75.76(6)
_cell_angle_gamma                84.77(6)
_cell_volume                     1527(1)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    27272
_cell_measurement_theta_min      1.6
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    95.

#------------------------------------------------------------------------------

_exptl_crystal_description       platelet
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             902.00
_exptl_absorpt_coefficient_mu    2.983
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.309
_exptl_absorpt_correction_T_max  0.474

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            42094
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_theta_max         27.48
_diffrn_measured_fraction_theta_max 0.9994
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.9994
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18

#==============================================================================

# REFINEMENT DATA

_refine_special_details          
;
Refinement using all reflections. The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F,
with F set to zero for negative F. The threshold expression of
F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).
;
_reflns_number_total             7006
_reflns_number_gt                6413
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.061
_refine_ls_wR_factor_ref         0.106
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_reflns         7005
_refine_ls_number_parameters     452
_refine_ls_goodness_of_fit_ref   1.830
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[0.0012Fo^2^ + 3.0000\s(Fo^2^) + 0.7500]'
_refine_ls_shift/su_max          0.0010
_refine_diff_density_max         5.68
_refine_diff_density_min         -1.28
_refine_ls_extinction_method     
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef       1052(55)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Gd Gd -0.165 3.904
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Gd(1) Gd 0.90082(3) 0.45300(3) 0.14710(3) 0.0165(1) Uani 1.00 1 d . . .
Cu(1) Cu 0.92879(9) 0.83374(9) 0.02846(7) 0.0184(2) Uani 1.00 1 d . . .
F(1) F 0.4269(7) 0.5620(8) 0.1860(7) 0.064(2) Uani 1.00 1 d . . .
F(2) F 0.5105(7) 0.7420(7) 0.1069(5) 0.053(2) Uani 1.00 1 d . . .
F(3) F 0.4121(6) 0.7024(8) 0.2645(5) 0.060(2) Uani 1.00 1 d . . .
F(4) F 0.8525(9) 0.500(1) 0.4907(6) 0.089(3) Uani 1.00 1 d . . .
F(5) F 0.791(1) 0.680(1) 0.4437(8) 0.112(5) Uani 1.00 1 d . . .
F(6) F 0.6493(8) 0.553(1) 0.5220(5) 0.075(3) Uani 1.00 1 d . . .
F(7) F 1.1824(7) 0.1102(6) 0.3448(5) 0.049(2) Uani 1.00 1 d . . .
F(8) F 1.1844(8) 0.2877(6) 0.3718(6) 0.057(2) Uani 1.00 1 d . . .
F(9) F 1.0778(9) 0.1316(8) 0.4892(5) 0.065(2) Uani 1.00 1 d . . .
F(10) F 0.528(1) 0.193(2) 0.389(1) 0.136(5) Uani 1.00 1 d . . .
F(11) F 0.573(1) 0.249(1) 0.491(1) 0.144(6) Uani 1.00 1 d . . .
F(12) F 0.630(1) 0.070(1) 0.495(1) 0.146(4) Uani 1.00 1 d . . .
O(1) O 1.0613(5) 0.5972(5) 0.1304(4) 0.020(1) Uani 1.00 1 d . . .
O(2) O 0.8992(6) 1.0652(5) 0.0891(5) 0.025(1) Uani 1.00 1 d . . .
O(3) O 0.9203(5) 0.5977(5) -0.0252(4) 0.017(1) Uani 1.00 1 d . . .
O(4) O 0.7442(6) 1.0528(6) -0.0215(5) 0.029(2) Uani 1.00 1 d . . .
O(5) O 0.7023(6) 0.5690(6) 0.1558(4) 0.024(1) Uani 1.00 1 d . . .
O(6) O 0.8506(6) 0.5107(6) 0.3041(4) 0.025(1) Uani 1.00 1 d . . .
O(7) O 1.0194(7) 0.3032(6) 0.2507(4) 0.028(2) Uani 1.00 1 d . . .
O(8) O 0.7493(7) 0.3016(7) 0.2749(5) 0.034(2) Uani 1.00 1 d . . .
O(9) O 0.8020(6) 0.3497(6) 0.0600(4) 0.022(1) Uani 1.00 1 d . . .
O(10) O 0.700(4) 0.051(3) 0.265(3) 0.31(2) Uani 1.00 1 d . . .
N(1) N 1.0163(7) 0.7156(6) 0.1311(5) 0.020(2) Uani 1.00 1 d . . .
N(2) N 0.9375(7) 0.9417(6) 0.1131(5) 0.022(2) Uani 1.00 1 d . . .
N(3) N 0.8732(6) 0.7188(6) -0.0352(5) 0.017(1) Uani 1.00 1 d . . .
N(4) N 0.7823(7) 0.9335(6) -0.0267(5) 0.024(2) Uani 1.00 1 d . . .
C(1) C 1.096(1) 0.6836(9) 0.2874(7) 0.032(2) Uani 1.00 1 d . . .
C(2) C 1.0313(8) 0.7582(8) 0.2018(6) 0.023(2) Uani 1.00 1 d . . .
C(3) C 0.9862(9) 0.8908(8) 0.1911(6) 0.025(2) Uani 1.00 1 d . . .
C(4) C 1.003(1) 0.9594(9) 0.2625(7) 0.036(3) Uani 1.00 1 d . . .
C(5) C 0.6983(9) 0.6680(9) -0.1040(7) 0.028(2) Uani 1.00 1 d . . .
C(6) C 0.7712(8) 0.7523(7) -0.0721(6) 0.022(2) Uani 1.00 1 d . . .
C(7) C 0.7221(8) 0.8832(8) -0.0736(6) 0.024(2) Uani 1.00 1 d . . .
C(8) C 0.6145(9) 0.9453(9) -0.1228(8) 0.032(2) Uani 1.00 1 d . . .
C(9) C 0.492(1) 0.649(1) 0.1976(8) 0.038(3) Uani 1.00 1 d . . .
C(10) C 0.6203(9) 0.5997(8) 0.2259(7) 0.027(2) Uani 1.00 1 d . . .
C(11) C 0.6335(9) 0.593(1) 0.3228(7) 0.030(2) Uani 1.00 1 d . . .
C(12) C 0.7490(9) 0.5491(9) 0.3533(7) 0.027(2) Uani 1.00 1 d . . .
C(13) C 0.758(1) 0.555(2) 0.4586(9) 0.055(4) Uani 1.00 1 d . . .
C(14) C 1.109(1) 0.191(1) 0.3880(7) 0.041(3) Uani 1.00 1 d . . .
C(15) C 0.989(1) 0.2341(8) 0.3424(7) 0.031(2) Uani 1.00 1 d . . .
C(16) C 0.866(1) 0.1936(9) 0.4013(7) 0.038(3) Uani 1.00 1 d . . .
C(17) C 0.756(1) 0.2283(9) 0.3605(7) 0.038(3) Uani 1.00 1 d . . .
C(18) C 0.622(2) 0.171(2) 0.430(1) 0.075(5) Uani 1.00 1 d . . .
C(19) C 0.670(1) 0.313(1) 0.0750(8) 0.038(3) Uani 1.00 1 d . . .
C(20) C 0.646(5) -0.071(3) 0.296(4) 0.21(2) Uani 1.00 1 d . . .
H(1) H 1.049(1) 0.6081(9) 0.3258(7) 0.041(3) Uiso 1.00 1 c . . .
H(2) H 1.183(1) 0.6627(9) 0.2588(7) 0.041(3) Uiso 1.00 1 c . . .
H(3) H 1.097(1) 0.7334(9) 0.3310(7) 0.041(3) Uiso 1.00 1 c . . .
H(4) H 1.041(1) 0.9035(9) 0.3144(7) 0.045(3) Uiso 1.00 1 c . . .
H(5) H 1.058(1) 1.0297(9) 0.2259(7) 0.045(3) Uiso 1.00 1 c . . .
H(6) H 0.920(1) 0.9884(9) 0.2927(7) 0.045(3) Uiso 1.00 1 c . . .
H(7) H 0.6266(9) 0.7136(9) -0.1288(7) 0.035(3) Uiso 1.00 1 c . . .
H(8) H 0.7553(9) 0.6399(9) -0.1565(7) 0.035(3) Uiso 1.00 1 c . . .
H(9) H 0.6669(9) 0.5969(9) -0.0470(7) 0.035(3) Uiso 1.00 1 c . . .
H(10) H 0.6451(9) 1.0209(9) -0.1753(8) 0.040(3) Uiso 1.00 1 c . . .
H(11) H 0.5853(9) 0.8893(9) -0.1515(8) 0.039(3) Uiso 1.00 1 c . . .
H(12) H 0.5442(9) 0.9651(9) -0.0732(8) 0.039(3) Uiso 1.00 1 c . . .
H(13) H 0.5626(9) 0.619(1) 0.3688(7) 0.036(3) Uiso 1.00 1 c . . .
H(14) H 0.857(1) 0.1411(9) 0.4699(7) 0.042(3) Uiso 1.00 1 c . . .
H(15) H 0.614(1) 0.386(1) 0.0676(8) 0.049(3) Uiso 1.00 1 c . . .
H(16) H 0.666(1) 0.273(1) 0.0255(8) 0.049(3) Uiso 1.00 1 c . . .
H(17) H 0.643(1) 0.255(1) 0.1416(8) 0.049(3) Uiso 1.00 1 c . . .
H(18) H 0.8614(6) 0.3292(6) 0.0046(4) 0.027(2) Uiso 1.00 1 c . . .
H(19) H 0.5565 -0.0683 0.3305 0.2533 Uiso 1.00 1 c . . .
H(20) H 0.6520 -0.0985 0.2380 0.2533 Uiso 1.00 1 c . . .
H(21) H 0.6925 -0.1292 0.3414 0.2533 Uiso 1.00 1 c . . .
H(22) H 0.6935 0.0777 0.3237 0.3661 Uiso 1.00 1 c . . .

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
Gd(1) 0.0181(3) 0.0146(3) 0.0160(3) -0.0004(1) -0.0022(1) -0.0046(1)
Cu(1) 0.0229(5) 0.0140(5) 0.0188(5) 0.0004(4) -0.0043(4) -0.0060(4)
F(1) 0.040(4) 0.070(5) 0.094(6) -0.001(4) -0.031(4) -0.029(4)
F(2) 0.041(3) 0.060(4) 0.044(4) 0.021(3) -0.009(3) -0.003(3)
F(3) 0.035(3) 0.100(6) 0.048(4) 0.024(4) -0.006(3) -0.037(4)
F(4) 0.075(6) 0.16(1) 0.037(4) 0.051(6) -0.030(4) -0.042(5)
F(5) 0.16(1) 0.13(1) 0.073(6) -0.050(9) -0.020(7) -0.059(7)
F(6) 0.052(4) 0.143(9) 0.032(3) 0.012(5) -0.001(3) -0.039(4)
F(7) 0.061(4) 0.045(4) 0.055(4) 0.018(3) -0.033(3) -0.025(3)
F(8) 0.095(6) 0.035(3) 0.056(4) -0.003(4) -0.047(4) -0.012(3)
F(9) 0.096(6) 0.067(5) 0.025(3) 0.003(4) -0.025(4) 0.004(3)
F(10) 0.084(8) 0.17(1) 0.092(9) -0.057(9) 0.013(7) 0.037(9)
F(11) 0.12(1) 0.13(1) 0.14(1) -0.001(9) 0.065(9) -0.04(1)
F(12) 0.083(7) 0.099(9) 0.15(1) -0.015(6) 0.032(7) 0.075(8)
O(1) 0.020(3) 0.017(3) 0.024(3) 0.000(2) -0.005(2) -0.008(2)
O(2) 0.031(3) 0.013(3) 0.027(3) -0.001(2) 0.000(2) -0.007(2)
O(3) 0.019(3) 0.012(2) 0.019(2) 0.002(2) -0.004(2) -0.005(2)
O(4) 0.036(3) 0.014(3) 0.036(3) 0.005(2) -0.005(3) -0.009(2)
O(5) 0.025(3) 0.026(3) 0.021(3) 0.003(2) -0.003(2) -0.009(2)
O(6) 0.023(3) 0.029(3) 0.024(3) -0.001(2) -0.002(2) -0.011(2)
O(7) 0.040(4) 0.022(3) 0.017(3) 0.003(3) -0.004(2) -0.003(2)
O(8) 0.037(4) 0.035(4) 0.027(3) -0.016(3) 0.002(3) -0.006(3)
O(9) 0.021(3) 0.022(3) 0.023(3) -0.006(2) 0.000(2) -0.009(2)
O(10) 0.28(4) 0.20(3) 0.39(5) -0.08(3) 0.16(4) -0.18(3)
N(1) 0.024(3) 0.014(3) 0.021(3) -0.000(3) -0.002(3) -0.004(2)
N(2) 0.031(4) 0.014(3) 0.019(3) -0.005(3) 0.002(3) -0.007(3)
N(3) 0.018(3) 0.015(3) 0.018(3) 0.003(2) -0.003(2) -0.005(2)
N(4) 0.026(4) 0.015(3) 0.027(3) 0.003(3) -0.002(3) -0.007(3)
C(1) 0.037(5) 0.031(5) 0.033(5) -0.000(4) -0.018(4) -0.011(4)
C(2) 0.027(4) 0.020(4) 0.023(4) -0.006(3) -0.005(3) -0.006(3)
C(3) 0.033(4) 0.023(4) 0.020(4) -0.009(3) -0.002(3) -0.008(3)
C(4) 0.055(6) 0.028(5) 0.029(5) -0.007(4) -0.010(4) -0.013(4)
C(5) 0.024(4) 0.028(4) 0.035(5) 0.003(3) -0.014(4) -0.012(4)
C(6) 0.028(4) 0.015(4) 0.022(4) -0.000(3) -0.004(3) -0.005(3)
C(7) 0.024(4) 0.019(4) 0.026(4) 0.002(3) -0.004(3) -0.004(3)
C(8) 0.031(5) 0.027(5) 0.040(5) 0.011(4) -0.017(4) -0.010(4)
C(9) 0.027(5) 0.044(6) 0.038(5) 0.005(4) -0.002(4) -0.013(4)
C(10) 0.024(4) 0.024(4) 0.029(4) -0.001(3) -0.001(3) -0.007(3)
C(11) 0.025(4) 0.041(5) 0.026(4) 0.001(4) 0.000(3) -0.015(4)
C(12) 0.025(4) 0.031(4) 0.025(4) -0.003(3) -0.001(3) -0.013(3)
C(13) 0.039(6) 0.10(1) 0.037(6) 0.009(7) -0.003(5) -0.042(7)
C(14) 0.068(7) 0.033(5) 0.023(4) 0.006(5) -0.019(5) -0.004(4)
C(15) 0.054(6) 0.019(4) 0.020(4) 0.006(4) -0.007(4) -0.006(3)
C(16) 0.059(7) 0.027(5) 0.020(4) -0.001(4) -0.001(4) -0.002(4)
C(17) 0.056(6) 0.026(5) 0.026(4) -0.011(4) 0.004(4) -0.005(4)
C(18) 0.07(1) 0.10(1) 0.035(6) -0.049(9) 0.001(6) 0.012(7)
C(19) 0.030(5) 0.050(6) 0.042(5) -0.015(4) -0.005(4) -0.022(5)
C(20) 0.24(5) 0.08(2) 0.26(5) -0.07(2) 0.00(4) -0.01(2)

#==============================================================================

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_solution    SIR92
_computing_structure_refinement  CRYSTALS
_computing_publication_material  'CrystalStructure Ver. 3.5.1'

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details            
;
The trifluoromethyl C18, F10, F11, and F12 atoms may have conformers
around the C17-C18 bond and accordingly the thermal displacement factors are
somewhat large along the rotation track. A disorder model was applied but
the refinement could not be improved. Final residual densities were found
mainly near the metal ions.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Gd(1) O(1) 2.357(6) yes . .
Gd(1) O(3) 2.435(5) yes . .
Gd(1) O(5) 2.355(6) yes . .
Gd(1) O(6) 2.424(7) yes . .
Gd(1) O(7) 2.341(6) yes . .
Gd(1) O(8) 2.414(6) yes . .
Gd(1) O(9) 2.380(7) yes . .
Cu(1) N(1) 1.982(7) yes . .
Cu(1) N(2) 1.964(8) yes . .
Cu(1) N(3) 1.976(8) yes . .
Cu(1) N(4) 1.992(7) yes . .
F(1) C(9) 1.31(2) yes . .
F(2) C(9) 1.35(1) yes . .
F(3) C(9) 1.35(1) yes . .
F(4) C(13) 1.23(2) yes . .
F(5) C(13) 1.41(2) yes . .
F(6) C(13) 1.27(1) yes . .
F(7) C(14) 1.33(1) yes . .
F(8) C(14) 1.32(1) yes . .
F(9) C(14) 1.35(1) yes . .
F(10) C(18) 1.23(2) yes . .
F(11) C(18) 1.39(3) yes . .
F(12) C(18) 1.22(2) yes . .
O(1) N(1) 1.360(9) yes . .
O(2) N(2) 1.356(9) yes . .
O(3) N(3) 1.369(8) yes . .
O(4) N(4) 1.37(1) yes . .
O(5) C(10) 1.26(1) yes . .
O(6) C(12) 1.25(1) yes . .
O(7) C(15) 1.262(9) yes . .
O(8) C(17) 1.24(1) yes . .
O(9) C(19) 1.43(1) yes . .
O(9) H(18) 0.950(8) no . .
O(10) C(20) 1.41(5) yes . .
O(10) H(22) 0.95(5) no . .
N(1) C(2) 1.28(1) yes . .
N(2) C(3) 1.28(1) yes . .
N(3) C(6) 1.29(1) yes . .
N(4) C(7) 1.29(1) yes . .
C(1) C(2) 1.51(1) yes . .
C(1) H(1) 0.95(1) no . .
C(1) H(2) 0.95(1) no . .
C(1) H(3) 0.95(2) no . .
C(2) C(3) 1.48(1) yes . .
C(3) C(4) 1.49(2) yes . .
C(4) H(4) 0.95(1) no . .
C(4) H(5) 0.95(1) no . .
C(4) H(6) 0.95(1) no . .
C(5) C(6) 1.50(2) yes . .
C(5) H(7) 0.95(1) no . .
C(5) H(8) 0.95(1) no . .
C(5) H(9) 0.95(1) no . .
C(6) C(7) 1.49(1) yes . .
C(7) C(8) 1.48(1) yes . .
C(8) H(10) 0.95(1) no . .
C(8) H(11) 0.95(2) no . .
C(8) H(12) 0.95(1) no . .
C(9) C(10) 1.51(1) yes . .
C(10) C(11) 1.39(1) yes . .
C(11) C(12) 1.39(1) yes . .
C(11) H(13) 0.95(1) no . .
C(12) C(13) 1.53(2) yes . .
C(14) C(15) 1.54(2) yes . .
C(15) C(16) 1.38(1) yes . .
C(16) C(17) 1.40(2) yes . .
C(16) H(14) 0.95(1) no . .
C(17) C(18) 1.56(2) yes . .
C(19) H(15) 0.95(2) no . .
C(19) H(16) 0.95(2) no . .
C(19) H(17) 0.95(1) no . .
C(20) H(19) 0.95(4) no . .
C(20) H(20) 0.95(5) no . .
C(20) H(21) 0.95(4) no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O(1) Gd(1) O(3) 75.7(2) yes . . .
O(1) Gd(1) O(5) 105.4(2) yes . . .
O(1) Gd(1) O(6) 73.2(2) yes . . .
O(1) Gd(1) O(7) 85.6(2) yes . . .
O(1) Gd(1) O(8) 141.5(2) yes . . .
O(1) Gd(1) O(9) 145.7(2) yes . . .
O(3) Gd(1) O(5) 75.8(2) yes . . .
O(3) Gd(1) O(6) 126.4(2) yes . . .
O(3) Gd(1) O(7) 142.3(2) yes . . .
O(3) Gd(1) O(8) 139.4(2) yes . . .
O(3) Gd(1) O(9) 74.1(2) yes . . .
O(5) Gd(1) O(6) 71.8(2) yes . . .
O(5) Gd(1) O(7) 141.5(2) yes . . .
O(5) Gd(1) O(8) 77.6(2) yes . . .
O(5) Gd(1) O(9) 82.7(2) yes . . .
O(6) Gd(1) O(7) 76.7(2) yes . . .
O(6) Gd(1) O(8) 71.5(2) yes . . .
O(6) Gd(1) O(9) 139.4(2) yes . . .
O(7) Gd(1) O(8) 71.8(2) yes . . .
O(7) Gd(1) O(9) 109.0(2) yes . . .
O(8) Gd(1) O(9) 72.6(2) yes . . .
N(1) Cu(1) N(2) 79.7(3) yes . . .
N(1) Cu(1) N(3) 102.3(3) yes . . .
N(1) Cu(1) N(4) 157.3(3) yes . . .
N(2) Cu(1) N(3) 165.2(3) yes . . .
N(2) Cu(1) N(4) 93.7(3) yes . . .
N(3) Cu(1) N(4) 78.7(3) yes . . .
N(1) O(1) Gd(1) 115.4(4) yes . . .
N(3) O(3) Gd(1) 117.8(4) yes . . .
C(10) O(5) Gd(1) 134.7(6) yes . . .
C(12) O(6) Gd(1) 133.1(7) yes . . .
C(15) O(7) Gd(1) 132.4(6) yes . . .
C(17) O(8) Gd(1) 132.2(8) yes . . .
C(19) O(9) H(18) 114.0(9) no . . .
C(19) O(9) Gd(1) 132.3(6) yes . . .
H(18) O(9) Gd(1) 113.7(6) no . . .
C(20) O(10) H(22) 109(3) no . . .
C(2) N(1) Cu(1) 115.4(6) yes . . .
C(2) N(1) O(1) 119.3(7) yes . . .
Cu(1) N(1) O(1) 125.3(6) yes . . .
C(3) N(2) Cu(1) 116.4(6) yes . . .
C(3) N(2) O(2) 121.1(8) yes . . .
Cu(1) N(2) O(2) 122.5(6) yes . . .
C(6) N(3) Cu(1) 116.9(6) yes . . .
C(6) N(3) O(3) 118.0(8) yes . . .
Cu(1) N(3) O(3) 123.9(5) yes . . .
C(7) N(4) Cu(1) 117.2(6) yes . . .
C(7) N(4) O(4) 117.9(7) yes . . .
Cu(1) N(4) O(4) 124.9(6) yes . . .
C(2) C(1) H(1) 109(1) no . . .
C(2) C(1) H(2) 109(1) no . . .
C(2) C(1) H(3) 109(1) no . . .
H(1) C(1) H(2) 109(1) no . . .
H(1) C(1) H(3) 109(1) no . . .
H(2) C(1) H(3) 109(1) no . . .
C(3) C(2) N(1) 114.5(8) yes . . .
C(3) C(2) C(1) 121.6(9) yes . . .
N(1) C(2) C(1) 123.9(8) yes . . .
C(4) C(3) N(2) 123.7(8) yes . . .
C(4) C(3) C(2) 122.3(8) yes . . .
N(2) C(3) C(2) 113.9(9) yes . . .
H(4) C(4) H(5) 109(1) no . . .
H(4) C(4) H(6) 109(1) no . . .
H(4) C(4) C(3) 109(1) no . . .
H(5) C(4) H(6) 109(1) no . . .
H(5) C(4) C(3) 109(1) no . . .
H(6) C(4) C(3) 109(1) no . . .
C(6) C(5) H(7) 109(1) no . . .
C(6) C(5) H(8) 109(1) no . . .
C(6) C(5) H(9) 109(1) no . . .
H(7) C(5) H(8) 109(1) no . . .
H(7) C(5) H(9) 109(1) no . . .
H(8) C(5) H(9) 109(1) no . . .
C(7) C(6) N(3) 114.0(9) yes . . .
C(7) C(6) C(5) 121.0(8) yes . . .
N(3) C(6) C(5) 124.8(8) yes . . .
C(8) C(7) N(4) 124.7(8) yes . . .
C(8) C(7) C(6) 122.7(9) yes . . .
N(4) C(7) C(6) 112.6(8) yes . . .
H(10) C(8) H(11) 109(1) no . . .
H(10) C(8) H(12) 109(1) no . . .
H(10) C(8) C(7) 109(1) no . . .
H(11) C(8) H(12) 109(1) no . . .
H(11) C(8) C(7) 109(1) no . . .
H(12) C(8) C(7) 109(1) no . . .
C(10) C(9) F(1) 112.7(9) yes . . .
C(10) C(9) F(2) 111.8(7) yes . . .
C(10) C(9) F(3) 114(1) yes . . .
F(1) C(9) F(2) 105(1) yes . . .
F(1) C(9) F(3) 108.2(8) yes . . .
F(2) C(9) F(3) 104.4(9) yes . . .
C(11) C(10) O(5) 128.5(9) yes . . .
C(11) C(10) C(9) 118.0(8) yes . . .
O(5) C(10) C(9) 113.5(9) yes . . .
C(12) C(11) H(13) 119(1) no . . .
C(12) C(11) C(10) 120.8(9) yes . . .
H(13) C(11) C(10) 119(1) no . . .
C(13) C(12) O(6) 114.6(9) yes . . .
C(13) C(12) C(11) 116.9(9) yes . . .
O(6) C(12) C(11) 128.4(9) yes . . .
F(4) C(13) F(5) 98(1) yes . . .
F(4) C(13) F(6) 118(1) yes . . .
F(4) C(13) C(12) 116(1) yes . . .
F(5) C(13) F(6) 97(1) yes . . .
F(5) C(13) C(12) 105.8(9) yes . . .
F(6) C(13) C(12) 115(1) yes . . .
C(15) C(14) F(7) 110(1) yes . . .
C(15) C(14) F(8) 111.4(8) yes . . .
C(15) C(14) F(9) 112.8(9) yes . . .
F(7) C(14) F(8) 106.9(9) yes . . .
F(7) C(14) F(9) 106.5(8) yes . . .
F(8) C(14) F(9) 108(1) yes . . .
C(16) C(15) O(7) 128(1) yes . . .
C(16) C(15) C(14) 119.6(8) yes . . .
O(7) C(15) C(14) 112.0(8) yes . . .
C(17) C(16) H(14) 119(1) no . . .
C(17) C(16) C(15) 120.6(8) yes . . .
H(14) C(16) C(15) 119(1) no . . .
C(18) C(17) O(8) 114(1) yes . . .
C(18) C(17) C(16) 117.3(9) yes . . .
O(8) C(17) C(16) 127.9(9) yes . . .
F(10) C(18) F(11) 92(1) yes . . .
F(10) C(18) F(12) 119(1) yes . . .
F(10) C(18) C(17) 116(1) yes . . .
F(11) C(18) F(12) 100(1) yes . . .
F(11) C(18) C(17) 106(1) yes . . .
F(12) C(18) C(17) 115(1) yes . . .
H(15) C(19) H(16) 109(1) no . . .
H(15) C(19) H(17) 109(1) no . . .
H(15) C(19) O(9) 109(1) no . . .
H(16) C(19) H(17) 109(1) no . . .
H(16) C(19) O(9) 109(1) no . . .
H(17) C(19) O(9) 109(1) no . . .
H(19) C(20) H(20) 109(5) no . . .
H(19) C(20) H(21) 109(4) no . . .
H(19) C(20) O(10) 109(3) no . . .
H(20) C(20) H(21) 109(3) no . . .
H(20) C(20) O(10) 109(3) no . . .
H(21) C(20) O(10) 109(4) no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O(3) Gd(1) O(1) N(1) 72.2(5) yes . . . .
O(5) Gd(1) O(1) N(1) 1.6(5) yes . . . .
O(6) Gd(1) O(1) N(1) -63.5(5) yes . . . .
O(7) Gd(1) O(1) N(1) -140.9(5) yes . . . .
O(8) Gd(1) O(1) N(1) -87.8(5) yes . . . .
O(9) Gd(1) O(1) N(1) 101.4(5) yes . . . .
O(1) Gd(1) O(3) N(3) -70.7(5) yes . . . .
O(5) Gd(1) O(3) N(3) 39.6(5) yes . . . .
O(6) Gd(1) O(3) N(3) -14.5(6) yes . . . .
O(7) Gd(1) O(3) N(3) -133.4(4) yes . . . .
O(8) Gd(1) O(3) N(3) 90.2(5) yes . . . .
O(9) Gd(1) O(3) N(3) 126.0(5) yes . . . .
O(1) Gd(1) O(5) C(10) -82.6(8) yes . . . .
O(3) Gd(1) O(5) C(10) -153.2(9) yes . . . .
O(6) Gd(1) O(5) C(10) -16.6(8) yes . . . .
O(7) Gd(1) O(5) C(10) 19(1) yes . . . .
O(8) Gd(1) O(5) C(10) 57.7(8) yes . . . .
O(9) Gd(1) O(5) C(10) 131.4(8) yes . . . .
O(1) Gd(1) O(6) C(12) 129.2(7) yes . . . .
O(3) Gd(1) O(6) C(12) 71.9(8) yes . . . .
O(5) Gd(1) O(6) C(12) 16.1(7) yes . . . .
O(7) Gd(1) O(6) C(12) -141.5(7) yes . . . .
O(8) Gd(1) O(6) C(12) -66.5(7) yes . . . .
O(9) Gd(1) O(6) C(12) -37.8(8) yes . . . .
O(1) Gd(1) O(7) C(15) 121.3(9) yes . . . .
O(3) Gd(1) O(7) C(15) -178.9(8) yes . . . .
O(5) Gd(1) O(7) C(15) 11(1) yes . . . .
O(6) Gd(1) O(7) C(15) 47.5(9) yes . . . .
O(8) Gd(1) O(7) C(15) -27.1(9) yes . . . .
O(9) Gd(1) O(7) C(15) -90.5(9) yes . . . .
O(1) Gd(1) O(8) C(17) -34(1) yes . . . .
O(3) Gd(1) O(8) C(17) 176.1(8) yes . . . .
O(5) Gd(1) O(8) C(17) -133(1) yes . . . .
O(6) Gd(1) O(8) C(17) -59.2(9) yes . . . .
O(7) Gd(1) O(8) C(17) 22.4(9) yes . . . .
O(9) Gd(1) O(8) C(17) 139(1) yes . . . .
O(1) Gd(1) O(9) C(19) -144.5(6) yes . . . .
O(3) Gd(1) O(9) C(19) -115.1(7) yes . . . .
O(5) Gd(1) O(9) C(19) -37.8(7) yes . . . .
O(6) Gd(1) O(9) C(19) 12.9(8) yes . . . .
O(7) Gd(1) O(9) C(19) 104.4(7) yes . . . .
O(8) Gd(1) O(9) C(19) 41.4(7) yes . . . .
N(2) Cu(1) N(1) O(1) -176.2(6) yes . . . .
N(2) Cu(1) N(1) C(2) 2.9(5) yes . . . .
N(3) Cu(1) N(1) O(1) 18.8(6) yes . . . .
N(3) Cu(1) N(1) C(2) -162.1(5) yes . . . .
N(4) Cu(1) N(1) O(1) 109.0(7) yes . . . .
N(4) Cu(1) N(1) C(2) -71.9(9) yes . . . .
N(1) Cu(1) N(2) O(2) 175.0(6) yes . . . .
N(1) Cu(1) N(2) C(3) -2.4(6) yes . . . .
N(3) Cu(1) N(2) O(2) -85.8(8) yes . . . .
N(3) Cu(1) N(2) C(3) 96(1) yes . . . .
N(4) Cu(1) N(2) O(2) -26.9(5) yes . . . .
N(4) Cu(1) N(2) C(3) 155.6(6) yes . . . .
N(1) Cu(1) N(3) O(3) -15.4(5) yes . . . .
N(1) Cu(1) N(3) C(6) 151.7(5) yes . . . .
N(2) Cu(1) N(3) O(3) -111.6(8) yes . . . .
N(2) Cu(1) N(3) C(6) 55(1) yes . . . .
N(4) Cu(1) N(3) O(3) -172.2(5) yes . . . .
N(4) Cu(1) N(3) C(6) -5.1(5) yes . . . .
N(1) Cu(1) N(4) O(4) 88.1(8) yes . . . .
N(1) Cu(1) N(4) C(7) -94.4(8) yes . . . .
N(2) Cu(1) N(4) O(4) 16.0(5) yes . . . .
N(2) Cu(1) N(4) C(7) -166.5(5) yes . . . .
N(3) Cu(1) N(4) O(4) -177.0(6) yes . . . .
N(3) Cu(1) N(4) C(7) 0.6(5) yes . . . .
Gd(1) O(1) N(1) Cu(1) -62.6(6) yes . . . .
Gd(1) O(1) N(1) C(2) 118.3(7) yes . . . .
Gd(1) O(3) N(3) Cu(1) 55.8(6) yes . . . .
Gd(1) O(3) N(3) C(6) -111.2(7) yes . . . .
Gd(1) O(5) C(10) C(9) -166.3(7) yes . . . .
Gd(1) O(5) C(10) C(11) 13(1) yes . . . .
Gd(1) O(6) C(12) C(11) -12(1) yes . . . .
Gd(1) O(6) C(12) C(13) 171.1(8) yes . . . .
Gd(1) O(7) C(15) C(14) -157.7(7) yes . . . .
Gd(1) O(7) C(15) C(16) 23(1) yes . . . .
Gd(1) O(8) C(17) C(16) -13(1) yes . . . .
Gd(1) O(8) C(17) C(18) 165(1) yes . . . .
Cu(1) N(1) C(2) C(1) -179.8(7) yes . . . .
Cu(1) N(1) C(2) C(3) -2.9(9) yes . . . .
O(1) N(1) C(2) C(1) 0(1) yes . . . .
O(1) N(1) C(2) C(3) 176.3(6) yes . . . .
Cu(1) N(2) C(3) C(2) 1.6(9) yes . . . .
Cu(1) N(2) C(3) C(4) 178.7(7) yes . . . .
O(2) N(2) C(3) C(2) -175.9(7) yes . . . .
O(2) N(2) C(3) C(4) 1(1) yes . . . .
Cu(1) N(3) C(6) C(5) -167.1(6) yes . . . .
Cu(1) N(3) C(6) C(7) 8.2(8) yes . . . .
O(3) N(3) C(6) C(5) 0(1) yes . . . .
O(3) N(3) C(6) C(7) 176.1(6) yes . . . .
Cu(1) N(4) C(7) C(6) 3.3(8) yes . . . .
Cu(1) N(4) C(7) C(8) -177.6(6) yes . . . .
O(4) N(4) C(7) C(6) -179.0(6) yes . . . .
O(4) N(4) C(7) C(8) 0(1) yes . . . .
N(1) C(2) C(3) N(2) 0(1) yes . . . .
N(1) C(2) C(3) C(4) -176.2(8) yes . . . .
C(1) C(2) C(3) N(2) 177.9(7) yes . . . .
C(1) C(2) C(3) C(4) 0(1) yes . . . .
N(3) C(6) C(7) N(4) -7(1) yes . . . .
N(3) C(6) C(7) C(8) 173.4(7) yes . . . .
C(5) C(6) C(7) N(4) 168.0(7) yes . . . .
C(5) C(6) C(7) C(8) -11(1) yes . . . .
F(1) C(9) C(10) O(5) 66(1) yes . . . .
F(1) C(9) C(10) C(11) -112(1) yes . . . .
F(2) C(9) C(10) O(5) -51(1) yes . . . .
F(2) C(9) C(10) C(11) 129(1) yes . . . .
F(3) C(9) C(10) O(5) -169.2(9) yes . . . .
F(3) C(9) C(10) C(11) 11(1) yes . . . .
O(5) C(10) C(11) C(12) 0(1) yes . . . .
C(9) C(10) C(11) C(12) -180(1) yes . . . .
C(10) C(11) C(12) O(6) 0(1) yes . . . .
C(10) C(11) C(12) C(13) 175(1) yes . . . .
O(6) C(12) C(13) F(4) -12(1) yes . . . .
O(6) C(12) C(13) F(5) 95(1) yes . . . .
O(6) C(12) C(13) F(6) -158(1) yes . . . .
C(11) C(12) C(13) F(4) 170(1) yes . . . .
C(11) C(12) C(13) F(5) -81(1) yes . . . .
C(11) C(12) C(13) F(6) 24(1) yes . . . .
F(7) C(14) C(15) O(7) -69(1) yes . . . .
F(7) C(14) C(15) C(16) 109(1) yes . . . .
F(8) C(14) C(15) O(7) 49(1) yes . . . .
F(8) C(14) C(15) C(16) -131(1) yes . . . .
F(9) C(14) C(15) O(7) 171(1) yes . . . .
F(9) C(14) C(15) C(16) -9(1) yes . . . .
O(7) C(15) C(16) C(17) 0(1) yes . . . .
C(14) C(15) C(16) C(17) -178(1) yes . . . .
C(15) C(16) C(17) O(8) -5(1) yes . . . .
C(15) C(16) C(17) C(18) 176(1) yes . . . .
O(8) C(17) C(18) F(10) 7(2) yes . . . .
O(8) C(17) C(18) F(11) -94(1) yes . . . .
O(8) C(17) C(18) F(12) 154(1) yes . . . .
C(16) C(17) C(18) F(10) -173(1) yes . . . .
C(16) C(17) C(18) F(11) 84(1) yes . . . .
C(16) C(17) C(18) F(12) -26(2) yes . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Gd(1) O(1) 2.357(6) yes . 55501
Gd(1) O(3) 2.435(5) yes . 55501
Gd(1) O(3) 2.381(5) yes . 76502
Gd(1) O(5) 2.355(6) yes . 55501
Gd(1) O(6) 2.424(7) yes . 55501
Gd(1) O(7) 2.341(6) yes . 55501
Gd(1) O(8) 2.414(6) yes . 55501
Gd(1) O(9) 2.380(7) yes . 55501
Gd(1) N(1) 3.187(8) yes . 55501
Gd(1) N(3) 3.304(6) yes . 55501
Gd(1) N(3) 3.323(7) yes . 76502
Gd(1) C(10) 3.361(9) yes . 55501
Gd(1) C(12) 3.40(1) yes . 55501
Gd(1) C(15) 3.326(9) yes . 55501
Gd(1) C(17) 3.377(9) yes . 55501
Gd(1) C(19) 3.51(1) yes . 55501
Cu(1) O(1) 2.982(5) yes . 55501
Cu(1) O(2) 2.925(7) yes . 55501
Cu(1) O(3) 2.965(6) yes . 55501
Cu(1) O(4) 2.994(6) yes . 55501
Cu(1) O(9) 3.548(6) yes . 76502
Cu(1) N(1) 1.982(7) yes . 55501
Cu(1) N(2) 1.964(8) yes . 55501
Cu(1) N(3) 1.976(8) yes . 55501
Cu(1) N(4) 1.992(7) yes . 55501
Cu(1) C(2) 2.782(9) yes . 55501
Cu(1) C(3) 2.78(1) yes . 55501
Cu(1) C(6) 2.80(1) yes . 55501
Cu(1) C(7) 2.824(9) yes . 55501
Cu(1) C(20) 2.71(4) yes . 66503
F(1) F(2) 2.11(1) yes . 55501
F(1) F(3) 2.16(1) yes . 55501
F(1) O(5) 2.84(1) yes . 55501
F(1) C(5) 3.58(2) yes . 66502
F(1) C(10) 2.35(1) yes . 55501
F(1) C(11) 3.35(2) yes . 55501
F(2) F(1) 2.11(1) yes . 55501
F(2) F(3) 2.139(9) yes . 55501
F(2) O(5) 2.724(9) yes . 55501
F(2) N(4) 3.502(9) yes . 55501
F(2) C(5) 3.44(1) yes . 55501
F(2) C(6) 3.23(1) yes . 55501
F(2) C(7) 3.050(9) yes . 55501
F(2) C(8) 3.31(1) yes . 55501
F(2) C(10) 2.37(1) yes . 55501
F(2) C(11) 3.49(1) yes . 55501
F(3) F(1) 2.16(1) yes . 55501
F(3) F(2) 2.139(9) yes . 55501
F(3) O(5) 3.497(9) yes . 55501
F(3) C(10) 2.40(1) yes . 55501
F(3) C(11) 2.72(1) yes . 55501
F(4) F(5) 2.00(2) yes . 55501
F(4) F(6) 2.15(1) yes . 55501
F(4) O(6) 2.61(1) yes . 55501
F(4) C(1) 3.56(1) yes . 55501
F(4) C(11) 3.58(1) yes . 55501
F(4) C(12) 2.35(1) yes . 55501
F(5) F(4) 2.00(2) yes . 55501
F(5) F(6) 2.01(2) yes . 55501
F(5) O(6) 3.05(2) yes . 55501
F(5) C(1) 3.42(2) yes . 55501
F(5) C(11) 3.06(2) yes . 55501
F(5) C(12) 2.35(2) yes . 55501
F(5) C(20) 3.40(4) yes . 56501
F(6) F(4) 2.15(1) yes . 55501
F(6) F(5) 2.01(2) yes . 55501
F(6) O(6) 3.43(1) yes . 55501
F(6) C(11) 2.76(1) yes . 55501
F(6) C(12) 2.37(1) yes . 55501
F(7) F(8) 2.13(1) yes . 55501
F(7) F(9) 2.14(1) yes . 55501
F(7) O(7) 2.829(9) yes . 55501
F(7) C(5) 3.53(1) yes . 76502
F(7) C(8) 3.53(1) yes . 76502
F(7) C(15) 2.36(1) yes . 55501
F(7) C(16) 3.35(1) yes . 55501
F(8) F(7) 2.13(1) yes . 55501
F(8) F(9) 2.161(9) yes . 55501
F(8) O(7) 2.69(1) yes . 55501
F(8) C(5) 3.57(1) yes . 76502
F(8) C(15) 2.36(2) yes . 55501
F(8) C(16) 3.49(2) yes . 55501
F(9) F(7) 2.14(1) yes . 55501
F(9) F(8) 2.161(9) yes . 55501
F(9) O(7) 3.491(9) yes . 55501
F(9) C(15) 2.40(1) yes . 55501
F(9) C(16) 2.75(2) yes . 55501
F(10) F(11) 1.91(3) yes . 55501
F(10) F(12) 2.12(2) yes . 55501
F(10) O(8) 2.64(1) yes . 55501
F(10) O(10) 2.92(4) yes . 55501
F(10) C(17) 2.39(2) yes . 55501
F(10) C(20) 3.58(4) yes . 55501
F(11) F(10) 1.91(3) yes . 55501
F(11) F(12) 2.02(2) yes . 55501
F(11) O(8) 3.07(2) yes . 55501
F(11) C(16) 3.13(2) yes . 55501
F(11) C(17) 2.37(2) yes . 55501
F(12) F(10) 2.12(2) yes . 55501
F(12) F(11) 2.02(2) yes . 55501
F(12) O(8) 3.40(1) yes . 55501
F(12) O(10) 3.22(5) yes . 55501
F(12) C(16) 2.78(2) yes . 55501
F(12) C(17) 2.36(1) yes . 55501
F(12) C(20) 3.58(5) yes . 55501
O(1) Gd(1) 2.357(6) yes . 55501
O(1) Cu(1) 2.982(5) yes . 55501
O(1) O(3) 2.943(9) yes . 55501
O(1) O(3) 2.957(9) yes . 76502
O(1) O(6) 2.852(7) yes . 55501
O(1) O(7) 3.192(8) yes . 55501
O(1) O(9) 2.633(7) yes . 76502
O(1) N(3) 3.327(9) yes . 55501
O(1) C(1) 2.79(1) yes . 55501
O(1) C(2) 2.28(1) yes . 55501
O(1) C(3) 3.60(1) yes . 55501
O(1) C(19) 3.48(1) yes . 76502
O(2) Cu(1) 2.925(7) yes . 55501
O(2) O(4) 2.57(1) yes . 55501
O(2) O(9) 3.166(8) yes . 56501
O(2) O(10) 2.81(4) yes . 56501
O(2) N(4) 3.03(1) yes . 55501
O(2) C(2) 3.60(1) yes . 55501
O(2) C(3) 2.29(1) yes . 55501
O(2) C(4) 2.81(1) yes . 55501
O(2) C(19) 3.48(1) yes . 56501
O(2) C(20) 3.49(4) yes . 56501
O(2) C(20) 2.27(6) yes . 66503
O(3) Gd(1) 2.435(5) yes . 55501
O(3) Gd(1) 2.381(5) yes . 76502
O(3) Cu(1) 2.965(6) yes . 55501
O(3) O(1) 2.943(9) yes . 55501
O(3) O(1) 2.957(9) yes . 76502
O(3) O(3) 2.648(7) yes . 76502
O(3) O(5) 2.945(7) yes . 55501
O(3) O(7) 2.954(8) yes . 76502
O(3) O(9) 2.902(8) yes . 55501
O(3) O(9) 2.933(8) yes . 76502
O(3) N(1) 3.28(1) yes . 55501
O(3) C(5) 2.78(1) yes . 55501
O(3) C(6) 2.28(1) yes . 55501
O(4) Cu(1) 2.994(6) yes . 55501
O(4) O(2) 2.57(1) yes . 55501
O(4) N(2) 3.05(1) yes . 55501
O(4) C(7) 2.28(1) yes . 55501
O(4) C(8) 2.77(1) yes . 55501
O(4) C(19) 3.51(2) yes . 56501
O(5) Gd(1) 2.355(6) yes . 55501
O(5) F(1) 2.84(1) yes . 55501
O(5) F(2) 2.724(9) yes . 55501
O(5) F(3) 3.497(9) yes . 55501
O(5) O(3) 2.945(7) yes . 55501
O(5) O(6) 2.803(9) yes . 55501
O(5) O(8) 2.989(9) yes . 55501
O(5) O(9) 3.128(9) yes . 55501
O(5) N(3) 2.943(7) yes . 55501
O(5) C(5) 3.50(1) yes . 55501
O(5) C(6) 3.175(9) yes . 55501
O(5) C(9) 2.32(1) yes . 55501
O(5) C(11) 2.39(1) yes . 55501
O(5) C(12) 2.89(1) yes . 55501
O(5) C(19) 3.46(2) yes . 55501
O(6) Gd(1) 2.424(7) yes . 55501
O(6) F(4) 2.61(1) yes . 55501
O(6) F(5) 3.05(2) yes . 55501
O(6) F(6) 3.43(1) yes . 55501
O(6) O(1) 2.852(7) yes . 55501
O(6) O(5) 2.803(9) yes . 55501
O(6) O(7) 2.956(9) yes . 55501
O(6) O(8) 2.83(1) yes . 55501
O(6) N(1) 3.062(8) yes . 55501
O(6) C(1) 3.28(1) yes . 55501
O(6) C(2) 3.23(1) yes . 55501
O(6) C(10) 2.88(1) yes . 55501
O(6) C(11) 2.37(1) yes . 55501
O(6) C(13) 2.34(2) yes . 55501
O(6) C(15) 3.23(1) yes . 55501
O(6) C(16) 3.36(1) yes . 55501
O(6) C(17) 3.18(1) yes . 55501
O(7) Gd(1) 2.341(6) yes . 55501
O(7) F(7) 2.829(9) yes . 55501
O(7) F(8) 2.69(1) yes . 55501
O(7) F(9) 3.491(9) yes . 55501
O(7) O(1) 3.192(8) yes . 55501
O(7) O(3) 2.954(8) yes . 76502
O(7) O(6) 2.956(9) yes . 55501
O(7) O(8) 2.79(1) yes . 55501
O(7) N(3) 3.058(9) yes . 76502
O(7) C(5) 3.16(1) yes . 76502
O(7) C(6) 3.10(1) yes . 76502
O(7) C(14) 2.33(1) yes . 55501
O(7) C(16) 2.38(1) yes . 55501
O(7) C(17) 2.89(1) yes . 55501
O(8) Gd(1) 2.414(6) yes . 55501
O(8) F(10) 2.64(1) yes . 55501
O(8) F(11) 3.07(2) yes . 55501
O(8) F(12) 3.40(1) yes . 55501
O(8) O(5) 2.989(9) yes . 55501
O(8) O(6) 2.83(1) yes . 55501
O(8) O(7) 2.79(1) yes . 55501
O(8) O(9) 2.837(9) yes . 55501
O(8) O(10) 2.94(4) yes . 55501
O(8) C(10) 3.39(1) yes . 55501
O(8) C(11) 3.56(1) yes . 55501
O(8) C(12) 3.27(1) yes . 55501
O(8) C(15) 2.87(1) yes . 55501
O(8) C(16) 2.37(1) yes . 55501
O(8) C(18) 2.37(1) yes . 55501
O(8) C(19) 3.10(2) yes . 55501
O(9) Gd(1) 2.380(7) yes . 55501
O(9) Cu(1) 3.548(6) yes . 76502
O(9) O(1) 2.633(7) yes . 76502
O(9) O(3) 2.902(8) yes . 55501
O(9) O(3) 2.933(8) yes . 76502
O(9) O(5) 3.128(9) yes . 55501
O(9) O(8) 2.837(9) yes . 55501
O(9) O(10) 2.47(4) yes . 66503
O(9) N(1) 3.151(9) yes . 76502
O(9) N(3) 3.399(9) yes . 76502
O(10) F(10) 2.92(4) yes . 55501
O(10) F(12) 3.22(5) yes . 55501
O(10) O(8) 2.94(4) yes . 55501
O(10) O(10) 3.51(5) yes . 66503
O(10) C(17) 2.89(5) yes . 55501
O(10) C(18) 2.95(5) yes . 55501
O(10) C(19) 3.34(3) yes . 55501
N(1) Gd(1) 3.187(8) yes . 55501
N(1) Cu(1) 1.982(7) yes . 55501
N(1) O(3) 3.28(1) yes . 55501
N(1) O(6) 3.062(8) yes . 55501
N(1) O(9) 3.151(9) yes . 76502
N(1) N(2) 2.53(1) yes . 55501
N(1) N(3) 3.08(1) yes . 55501
N(1) C(1) 2.47(1) yes . 55501
N(1) C(3) 2.32(1) yes . 55501
N(2) Cu(1) 1.964(8) yes . 55501
N(2) O(4) 3.05(1) yes . 55501
N(2) O(10) 3.29(4) yes . 56501
N(2) N(1) 2.53(1) yes . 55501
N(2) N(4) 2.89(1) yes . 55501
N(2) C(2) 2.31(1) yes . 55501
N(2) C(4) 2.45(1) yes . 55501
N(2) C(20) 3.48(4) yes . 56501
N(2) C(20) 2.68(5) yes . 66503
N(3) Gd(1) 3.304(6) yes . 55501
N(3) Gd(1) 3.323(7) yes . 76502
N(3) Cu(1) 1.976(8) yes . 55501
N(3) O(1) 3.327(9) yes . 55501
N(3) O(5) 2.943(7) yes . 55501
N(3) O(7) 3.058(9) yes . 76502
N(3) O(9) 3.399(9) yes . 76502
N(3) N(1) 3.08(1) yes . 55501
N(3) N(4) 2.52(1) yes . 55501
N(3) C(5) 2.47(1) yes . 55501
N(3) C(7) 2.33(1) yes . 55501
N(4) Cu(1) 1.992(7) yes . 55501
N(4) F(2) 3.502(9) yes . 55501
N(4) O(2) 3.03(1) yes . 55501
N(4) N(2) 2.89(1) yes . 55501
N(4) N(3) 2.52(1) yes . 55501
N(4) C(6) 2.32(1) yes . 55501
N(4) C(8) 2.46(1) yes . 55501
C(1) F(3) 3.29(1) yes . 65501
C(1) F(4) 3.56(1) yes . 55501
C(1) F(5) 3.42(2) yes . 55501
C(1) O(1) 2.79(1) yes . 55501
C(1) O(6) 3.28(1) yes . 55501
C(1) N(1) 2.47(1) yes . 55501
C(1) C(3) 2.61(1) yes . 55501
C(1) C(4) 3.07(1) yes . 55501
C(2) Cu(1) 2.782(9) yes . 55501
C(2) O(1) 2.28(1) yes . 55501
C(2) O(2) 3.60(1) yes . 55501
C(2) O(6) 3.23(1) yes . 55501
C(2) N(2) 2.31(1) yes . 55501
C(2) C(4) 2.60(1) yes . 55501
C(3) Cu(1) 2.78(1) yes . 55501
C(3) O(1) 3.60(1) yes . 55501
C(3) O(2) 2.29(1) yes . 55501
C(3) O(10) 3.47(4) yes . 56501
C(3) N(1) 2.32(1) yes . 55501
C(3) C(1) 2.61(1) yes . 55501
C(3) C(20) 3.58(5) yes . 56501
C(4) F(7) 3.26(2) yes . 56501
C(4) O(2) 2.81(1) yes . 55501
C(4) O(10) 3.26(4) yes . 56501
C(4) N(2) 2.45(1) yes . 55501
C(4) C(1) 3.07(1) yes . 55501
C(4) C(2) 2.60(1) yes . 55501
C(4) C(15) 3.55(2) yes . 56501
C(5) F(1) 3.58(2) yes . 66502
C(5) F(2) 3.44(1) yes . 55501
C(5) F(7) 3.53(1) yes . 76502
C(5) F(8) 3.57(1) yes . 76502
C(5) O(3) 2.78(1) yes . 55501
C(5) O(5) 3.50(1) yes . 55501
C(5) O(7) 3.16(1) yes . 76502
C(5) N(3) 2.47(1) yes . 55501
C(5) C(7) 2.60(1) yes . 55501
C(5) C(8) 3.08(1) yes . 55501
C(6) Cu(1) 2.80(1) yes . 55501
C(6) F(2) 3.23(1) yes . 55501
C(6) O(3) 2.28(1) yes . 55501
C(6) O(5) 3.175(9) yes . 55501
C(6) O(7) 3.10(1) yes . 76502
C(6) N(4) 2.32(1) yes . 55501
C(6) C(8) 2.61(1) yes . 55501
C(6) C(20) 3.56(4) yes . 66503
C(7) Cu(1) 2.824(9) yes . 55501
C(7) F(2) 3.050(9) yes . 55501
C(7) O(4) 2.28(1) yes . 55501
C(7) N(3) 2.33(1) yes . 55501
C(7) C(5) 2.60(1) yes . 55501
C(7) C(20) 2.34(5) yes . 66503
C(8) F(2) 3.31(1) yes . 55501
C(8) F(7) 3.53(1) yes . 76502
C(8) O(4) 2.77(1) yes . 55501
C(8) N(4) 2.46(1) yes . 55501
C(8) C(5) 3.08(1) yes . 55501
C(8) C(6) 2.61(1) yes . 55501
C(8) C(20) 3.00(6) yes . 66503
C(9) O(5) 2.32(1) yes . 55501
C(9) C(11) 2.49(2) yes . 55501
C(10) Gd(1) 3.361(9) yes . 55501
C(10) F(1) 2.35(1) yes . 55501
C(10) F(2) 2.37(1) yes . 55501
C(10) F(3) 2.40(1) yes . 55501
C(10) O(6) 2.88(1) yes . 55501
C(10) O(8) 3.39(1) yes . 55501
C(10) C(12) 2.42(1) yes . 55501
C(11) F(1) 3.35(2) yes . 55501
C(11) F(2) 3.49(1) yes . 55501
C(11) F(3) 2.72(1) yes . 55501
C(11) F(4) 3.58(1) yes . 55501
C(11) F(5) 3.06(2) yes . 55501
C(11) F(6) 2.76(1) yes . 55501
C(11) O(5) 2.39(1) yes . 55501
C(11) O(6) 2.37(1) yes . 55501
C(11) O(8) 3.56(1) yes . 55501
C(11) C(9) 2.49(2) yes . 55501
C(11) C(13) 2.49(2) yes . 55501
C(12) Gd(1) 3.40(1) yes . 55501
C(12) F(4) 2.35(1) yes . 55501
C(12) F(5) 2.35(2) yes . 55501
C(12) F(6) 2.37(1) yes . 55501
C(12) O(5) 2.89(1) yes . 55501
C(12) O(8) 3.27(1) yes . 55501
C(12) C(10) 2.42(1) yes . 55501
C(12) C(17) 3.53(1) yes . 55501
C(13) O(6) 2.34(2) yes . 55501
C(13) C(11) 2.49(2) yes . 55501
C(14) O(7) 2.33(1) yes . 55501
C(14) C(16) 2.52(2) yes . 55501
C(15) Gd(1) 3.326(9) yes . 55501
C(15) F(7) 2.36(1) yes . 55501
C(15) F(8) 2.36(2) yes . 55501
C(15) F(9) 2.40(1) yes . 55501
C(15) O(6) 3.23(1) yes . 55501
C(15) O(8) 2.87(1) yes . 55501
C(15) C(17) 2.42(2) yes . 55501
C(16) F(7) 3.35(1) yes . 55501
C(16) F(8) 3.49(2) yes . 55501
C(16) F(9) 2.75(2) yes . 55501
C(16) F(11) 3.13(2) yes . 55501
C(16) F(12) 2.78(2) yes . 55501
C(16) O(6) 3.36(1) yes . 55501
C(16) O(7) 2.38(1) yes . 55501
C(16) O(8) 2.37(1) yes . 55501
C(16) C(14) 2.52(2) yes . 55501
C(16) C(18) 2.53(2) yes . 55501
C(17) Gd(1) 3.377(9) yes . 55501
C(17) F(10) 2.39(2) yes . 55501
C(17) F(11) 2.37(2) yes . 55501
C(17) F(12) 2.36(1) yes . 55501
C(17) O(6) 3.18(1) yes . 55501
C(17) O(7) 2.89(1) yes . 55501
C(17) O(10) 2.89(5) yes . 55501
C(17) C(12) 3.53(1) yes . 55501
C(17) C(15) 2.42(2) yes . 55501
C(17) C(18) 1.56(2) yes . 55501
C(18) O(8) 2.37(1) yes . 55501
C(18) O(10) 2.95(5) yes . 55501
C(18) C(16) 2.53(2) yes . 55501
C(18) C(17) 1.56(2) yes . 55501
C(19) Gd(1) 3.51(1) yes . 55501
C(19) F(12) 3.10(2) yes . 66503
C(19) O(1) 3.48(1) yes . 76502
C(19) O(5) 3.46(2) yes . 55501
C(19) O(8) 3.10(2) yes . 55501
C(19) O(10) 3.34(3) yes . 55501
C(19) O(10) 2.53(4) yes . 66503
C(19) C(20) 3.56(4) yes . 65503
C(20) F(10) 3.58(4) yes . 55501
C(20) F(12) 3.58(5) yes . 55501

#==============================================================================

# End of CIF

#==============================================================================

#==============================================================================

data_CuGd2Cu_
_database_code_depnum_ccdc_archive 'CCDC 280387'

_audit_creation_date             2005-07-28
_audit_creation_method           'by CrystalStructure v3.5.1'

#==============================================================================

# CHEMICAL DATA

_chemical_formula_sum            'C22 H26 Cu F12 Gd N4 O10 '
_chemical_formula_moiety         'C22 H26 Cu F12 Gd N4 O10 '
_chemical_formula_weight         955.24

#==============================================================================

# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,z+1/2

#------------------------------------------------------------------------------

_cell_length_a                   26.50(1)
_cell_length_b                   11.984(9)
_cell_length_c                   23.72(2)
_cell_angle_alpha                90
_cell_angle_beta                 116.10(4)
_cell_angle_gamma                90
_cell_volume                     6762(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    59602
_cell_measurement_theta_min      1.6
_cell_measurement_theta_max      27.6
_cell_measurement_temperature    105.

#------------------------------------------------------------------------------

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.40
_exptl_crystal_density_diffrn    1.876
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3736.00
_exptl_absorpt_coefficient_mu    2.699
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_absorpt_correction_T_min  0.197
_exptl_absorpt_correction_T_max  0.340

#==============================================================================

# EXPERIMENTAL DATA

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 10.00
_diffrn_reflns_number            53704
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_theta_max         27.48
_diffrn_measured_fraction_theta_max 0.9638
_diffrn_reflns_theta_full        27.25
_diffrn_measured_fraction_theta_full 0.9659
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30

#==============================================================================

# REFINEMENT DATA

_refine_special_details          
;
Refinement using all reflections. The weighted R-factor
(wR), goodness of fit (S) and R-factor (gt) are based on F,
with F set to zero for negative F. The threshold expression of
F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).
;
_reflns_number_total             7830
_reflns_number_gt                6238
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.048
_refine_ls_wR_factor_ref         0.079
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_reflns         7353
_refine_ls_number_parameters     521
_refine_ls_goodness_of_fit_ref   0.805
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w = 1/[0.0056Fo^2^ + 3.0000\s(Fo^2^)]'
_refine_ls_shift/su_max          0.0000
_refine_diff_density_max         3.62
_refine_diff_density_min         -1.10
_refine_ls_extinction_method     
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_extinction_coef       1045(50)

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Gd Gd -0.165 3.904
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================

# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Gd(1) Gd 0.20247(1) 0.27503(2) 0.04465(1) 0.02001(9) Uani 1.00 1 d . . .
Cu(1) Cu 0.10275(3) 0.13707(6) -0.11709(3) 0.0257(2) Uani 1.00 1 d . . .
F(1) F 0.1719(3) -0.0705(4) 0.1338(3) 0.089(2) Uani 1.00 1 d . . .
F(2) F 0.1216(3) -0.1145(4) 0.0386(3) 0.073(2) Uani 1.00 1 d . . .
F(3) F 0.0845(3) -0.0759(4) 0.0992(3) 0.082(2) Uani 1.00 1 d . . .
F(4) F 0.0388(3) 0.4164(5) 0.0637(4) 0.106(3) Uani 1.00 1 d . . .
F(5) F -0.0108(2) 0.3350(6) -0.0214(3) 0.096(2) Uani 1.00 1 d . . .
F(6) F -0.0059(2) 0.2692(4) 0.0636(3) 0.074(2) Uani 1.00 1 d . . .
F(7) F 0.2163(2) 0.6859(3) 0.0979(2) 0.047(1) Uani 1.00 1 d . . .
F(8) F 0.1307(2) 0.6388(4) 0.0428(3) 0.063(1) Uani 1.00 1 d . . .
F(9) F 0.1601(3) 0.6793(4) 0.1407(3) 0.073(2) Uani 1.00 1 d . . .
F(10) F 0.220(2) 0.216(2) 0.260(1) 0.15(1) Uani 0.58 1 d P . .
F(11) F 0.135(1) 0.257(3) 0.2153(6) 0.104(7) Uani 0.58 1 d P . .
F(12) F 0.192(2) 0.367(2) 0.275(1) 0.13(1) Uani 0.58 1 d P . .
F(13) F 0.185(2) 0.200(1) 0.238(2) 0.11(1) Uani 0.42 1 d P . .
F(14) F 0.135(2) 0.339(4) 0.231(2) 0.12(1) Uani 0.42 1 d P . .
F(15) F 0.214(2) 0.349(3) 0.2842(9) 0.125(9) Uani 0.42 1 d P . .
O(1) O 0.1544(2) 0.3520(3) -0.0566(2) 0.025(1) Uani 1.00 1 d . . .
O(2) O -0.0178(2) 0.0989(5) -0.1879(2) 0.042(1) Uani 1.00 1 d . . .
O(3) O 0.2243(1) 0.1523(3) -0.0228(2) 0.0221(9) Uani 1.00 1 d . . .
O(4) O 0.0403(2) -0.0767(4) -0.1533(2) 0.045(1) Uani 1.00 1 d . . .
O(5) O 0.1623(2) 0.1013(3) 0.0528(2) 0.028(1) Uani 1.00 1 d . . .
O(6) O 0.1084(2) 0.3058(4) 0.0306(2) 0.027(1) Uani 1.00 1 d . . .
O(7) O 0.2055(2) 0.4601(3) 0.0780(2) 0.027(1) Uani 1.00 1 d . . .
O(8) O 0.2050(2) 0.2744(3) 0.1478(2) 0.030(1) Uani 1.00 1 d . . .
O(9) O 0.2850(2) 0.1820(4) 0.1151(2) 0.030(1) Uani 1.00 1 d . . .
O(10) O 0.1101(2) 0.1356(4) -0.2049(2) 0.037(1) Uani 1.00 1 d . . .
N(1) N 0.1067(2) 0.2946(4) -0.0931(2) 0.028(1) Uani 1.00 1 d . . .
N(2) N 0.0219(2) 0.1739(5) -0.1571(2) 0.033(1) Uani 1.00 1 d . . .
N(3) N 0.1803(2) 0.0853(4) -0.0589(2) 0.021(1) Uani 1.00 1 d . . .
N(4) N 0.0907(2) -0.0258(5) -0.1164(2) 0.034(1) Uani 1.00 1 d . . .
C(1) C 0.0544(3) 0.4654(6) -0.0996(3) 0.043(2) Uani 1.00 1 d . . .
C(2) C 0.0585(2) 0.3449(5) -0.1133(3) 0.030(1) Uani 1.00 1 d . . .
C(3) C 0.0092(3) 0.2734(6) -0.1496(3) 0.038(2) Uani 1.00 1 d . . .
C(4) C -0.0497(3) 0.3180(9) -0.1748(4) 0.061(3) Uani 1.00 1 d . . .
C(5) C 0.2360(3) -0.0738(5) 0.0040(3) 0.034(2) Uani 1.00 1 d . . .
C(6) C 0.1851(2) -0.0206(5) -0.0460(3) 0.025(1) Uani 1.00 1 d . . .
C(7) C 0.1331(2) -0.0858(5) -0.0832(3) 0.028(1) Uani 1.00 1 d . . .
C(8) C 0.1320(3) -0.2100(5) -0.0815(3) 0.036(2) Uani 1.00 1 d . . .
C(9) C 0.1236(3) -0.0490(5) 0.0836(4) 0.042(2) Uani 1.00 1 d . . .
C(10) C 0.1233(3) 0.0743(5) 0.0648(3) 0.030(2) Uani 1.00 1 d . . .
C(11) C 0.0790(3) 0.1403(5) 0.0627(3) 0.034(2) Uani 1.00 1 d . . .
C(12) C 0.0750(3) 0.2505(6) 0.0442(3) 0.032(2) Uani 1.00 1 d . . .
C(13) C 0.0240(3) 0.3182(7) 0.0391(4) 0.050(2) Uani 1.00 1 d . . .
C(14) C 0.1742(3) 0.6283(6) 0.1003(4) 0.044(2) Uani 1.00 1 d . . .
C(15) C 0.1896(3) 0.5054(5) 0.1150(3) 0.033(2) Uani 1.00 1 d . . .
C(16) C 0.1823(3) 0.4585(6) 0.1642(3) 0.041(2) Uani 1.00 1 d . . .
C(17) C 0.1923(3) 0.3454(5) 0.1774(3) 0.034(2) Uani 1.00 1 d . . .
C(18) C 0.1837(4) 0.2985(7) 0.2333(4) 0.050(2) Uani 1.00 1 d . . .
C(19) C 0.2971(3) 0.1060(7) 0.1652(4) 0.053(2) Uani 1.00 1 d . . .
C(20) C 0.1442(4) -0.2619(7) -0.1334(5) 0.052(2) Uani 1.00 1 d . . .
C(21) C 0.0347(6) 0.532(1) -0.1607(7) 0.046(4) Uani 0.56 1 d P . .
C(22) C 0.1524(3) 0.0807(8) -0.2142(3) 0.050(2) Uani 1.00 1 d . . .
C(23) C -0.0623(8) 0.406(2) -0.2279(9) 0.074(7) Uani 0.44 1 d P . .
H(1) H 0.0283(3) 0.4740(6) -0.0825(3) 0.054(2) Uiso 1.00 1 c . . .
H(2) H 0.0902(3) 0.4919(6) -0.0703(3) 0.054(2) Uiso 1.00 1 c . . .
H(3) H -0.0753(3) 0.2576(9) -0.1909(4) 0.076(3) Uiso 1.00 1 c . . .
H(4) H -0.0546(3) 0.3529(9) -0.1416(4) 0.076(3) Uiso 1.00 1 c . . .
H(5) H 0.2675(3) -0.0609(5) -0.0041(3) 0.041(2) Uiso 1.00 1 c . . .
H(6) H 0.2428(3) -0.0426(5) 0.0436(3) 0.041(2) Uiso 1.00 1 c . . .
H(7) H 0.2299(3) -0.1518(5) 0.0046(3) 0.041(2) Uiso 1.00 1 c . . .
H(8) H 0.1596(3) -0.2347(5) -0.0419(3) 0.046(2) Uiso 1.00 1 c . . .
H(9) H 0.0959(3) -0.2336(5) -0.0870(3) 0.046(2) Uiso 1.00 1 c . . .
H(10) H 0.0517(3) 0.1097(5) 0.0741(3) 0.046(2) Uiso 1.00 1 c . . .
H(11) H 0.1700(3) 0.5035(6) 0.1888(3) 0.055(3) Uiso 1.00 1 c . . .
H(12) H 0.3357(3) 0.0863(7) 0.1829(4) 0.069(3) Uiso 1.00 1 c . . .
H(13) H 0.2889(3) 0.1399(7) 0.1965(4) 0.069(3) Uiso 1.00 1 c . . .
H(14) H 0.2747(3) 0.0409(7) 0.1498(4) 0.069(3) Uiso 1.00 1 c . . .
H(15) H 0.3169(2) 0.1997(4) 0.1084(2) 0.037(2) Uiso 1.00 1 c . . .
H(16) H 0.1466(3) 0.0913(8) -0.2564(3) 0.060(3) Uiso 1.00 1 c . . .
H(17) H 0.1879(3) 0.1106(8) -0.1864(3) 0.060(3) Uiso 1.00 1 c . . .
H(18) H 0.1515(3) 0.0032(8) -0.2062(3) 0.060(3) Uiso 1.00 1 c . . .
H(19) H 0.0824(2) 0.1748(4) -0.2395(2) 0.044(2) Uiso 1.00 1 c . . .
H(20) H 0.1803(4) -0.2392(7) -0.1281(5) 0.069(3) Uiso 1.00 1 c . . .
H(21) H 0.1431(4) -0.3409(7) -0.1308(5) 0.069(3) Uiso 1.00 1 c . . .
H(22) H 0.1166(4) -0.2379(7) -0.1733(5) 0.069(3) Uiso 1.00 1 c . . .
H(23) H -0.0010(6) 0.505(1) -0.1900(7) 0.056(5) Uiso 0.56 1 c P . .
H(24) H 0.0316(6) 0.609(1) -0.1524(7) 0.056(5) Uiso 0.56 1 c P . .
H(25) H 0.0610(6) 0.524(1) -0.1775(7) 0.056(5) Uiso 0.56 1 c P . .
H(26) H -0.0580(8) 0.372(2) -0.2616(9) 0.075(9) Uiso 0.44 1 c P . .
H(27) H -0.0996(8) 0.433(2) -0.2424(9) 0.075(9) Uiso 0.44 1 c P . .
H(28) H -0.0368(8) 0.467(2) -0.2122(9) 0.075(9) Uiso 0.44 1 c P . .
H(29) H -0.0075(2) 0.0249(5) -0.1929(2) 0.050(2) Uiso 1.00 1 c . . .

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
Gd(1) 0.0226(2) 0.0198(2) 0.0206(2) 0.00273(9) 0.0123(1) 0.00090(9)
Cu(1) 0.0215(3) 0.0324(4) 0.0227(3) 0.0019(3) 0.0091(3) -0.0008(3)
F(1) 0.114(5) 0.041(3) 0.095(4) 0.002(3) 0.029(4) 0.033(3)
F(2) 0.143(5) 0.026(2) 0.087(4) -0.013(3) 0.086(4) -0.010(2)
F(3) 0.124(5) 0.036(2) 0.148(5) 0.000(3) 0.118(5) 0.012(3)
F(4) 0.092(4) 0.050(3) 0.229(9) 0.006(3) 0.119(5) -0.027(4)
F(5) 0.055(3) 0.139(6) 0.106(5) 0.061(4) 0.048(3) 0.072(4)
F(6) 0.067(3) 0.075(4) 0.117(5) 0.028(3) 0.075(4) 0.039(3)
F(7) 0.058(3) 0.030(2) 0.074(3) -0.011(2) 0.049(2) -0.010(2)
F(8) 0.050(3) 0.035(2) 0.096(4) 0.010(2) 0.023(3) 0.007(2)
F(9) 0.123(4) 0.028(2) 0.126(5) -0.001(3) 0.108(4) -0.009(3)
F(10) 0.26(3) 0.14(2) 0.10(2) 0.11(2) 0.14(2) 0.08(1)
F(11) 0.10(1) 0.17(2) 0.059(7) -0.09(2) 0.055(8) -0.02(1)
F(12) 0.32(4) 0.059(9) 0.09(2) -0.06(2) 0.16(2) -0.04(1)
F(13) 0.28(5) 0.023(8) 0.11(2) -0.06(2) 0.17(3) -0.03(1)
F(14) 0.13(2) 0.18(3) 0.10(2) 0.07(2) 0.09(2) 0.07(2)
F(15) 0.20(3) 0.10(2) 0.011(7) -0.08(2) -0.00(1) 0.014(9)
O(1) 0.025(2) 0.025(2) 0.027(2) 0.005(2) 0.012(2) 0.004(2)
O(2) 0.025(2) 0.062(3) 0.036(2) -0.000(2) 0.012(2) -0.008(2)
O(3) 0.025(2) 0.021(2) 0.021(2) 0.000(1) 0.011(1) -0.001(1)
O(4) 0.033(2) 0.053(3) 0.043(3) -0.019(2) 0.011(2) -0.015(2)
O(5) 0.036(2) 0.025(2) 0.034(2) 0.001(2) 0.024(2) 0.000(2)
O(6) 0.025(2) 0.030(2) 0.033(2) 0.005(2) 0.020(2) 0.004(2)
O(7) 0.033(2) 0.022(2) 0.035(2) 0.001(2) 0.023(2) -0.002(2)
O(8) 0.036(2) 0.030(2) 0.028(2) 0.002(2) 0.018(2) -0.001(2)
O(9) 0.027(2) 0.038(2) 0.028(2) 0.008(2) 0.016(2) 0.010(2)
O(10) 0.030(2) 0.056(3) 0.022(2) 0.008(2) 0.010(2) -0.000(2)
N(1) 0.029(2) 0.032(3) 0.026(2) 0.008(2) 0.014(2) 0.001(2)
N(2) 0.025(2) 0.043(3) 0.031(3) 0.001(2) 0.012(2) -0.002(2)
N(3) 0.021(2) 0.023(2) 0.023(2) 0.002(2) 0.013(2) -0.003(2)
N(4) 0.032(3) 0.040(3) 0.028(2) -0.011(2) 0.011(2) -0.006(2)
C(1) 0.045(4) 0.041(4) 0.048(4) 0.020(3) 0.026(3) 0.007(3)
C(2) 0.029(3) 0.034(3) 0.034(3) 0.012(2) 0.020(2) 0.004(2)
C(3) 0.026(3) 0.062(5) 0.027(3) 0.010(3) 0.013(3) 0.007(3)
C(4) 0.026(3) 0.103(7) 0.060(5) 0.022(4) 0.024(3) 0.015(5)
C(5) 0.036(3) 0.028(3) 0.038(3) 0.006(3) 0.016(3) 0.003(3)
C(6) 0.025(3) 0.028(3) 0.028(3) -0.004(2) 0.016(2) -0.005(2)
C(7) 0.026(3) 0.034(3) 0.028(3) -0.006(2) 0.015(2) -0.004(2)
C(8) 0.034(3) 0.031(3) 0.050(4) -0.005(3) 0.025(3) -0.005(3)
C(9) 0.067(5) 0.022(3) 0.057(4) 0.000(3) 0.047(4) 0.003(3)
C(10) 0.043(3) 0.023(3) 0.034(3) -0.001(2) 0.024(3) 0.000(2)
C(11) 0.040(3) 0.026(3) 0.049(4) -0.002(3) 0.031(3) 0.001(3)
C(12) 0.031(3) 0.034(3) 0.035(3) 0.003(3) 0.018(3) 0.002(3)
C(13) 0.046(4) 0.041(4) 0.087(6) 0.012(3) 0.051(4) 0.015(4)
C(14) 0.054(4) 0.028(3) 0.067(5) -0.004(3) 0.043(4) -0.011(3)
C(15) 0.039(3) 0.025(3) 0.044(3) -0.005(3) 0.027(3) -0.007(3)
C(16) 0.060(4) 0.033(3) 0.045(4) -0.007(3) 0.037(3) -0.012(3)
C(17) 0.044(3) 0.038(3) 0.026(3) -0.009(3) 0.021(3) -0.007(2)
C(18) 0.076(6) 0.052(5) 0.041(4) -0.003(4) 0.042(4) -0.001(3)
C(19) 0.053(4) 0.068(5) 0.052(4) 0.030(4) 0.036(4) 0.036(4)
C(20) 0.063(5) 0.044(4) 0.065(5) -0.013(4) 0.043(5) -0.020(4)
C(21) 0.044(7) 0.031(7) 0.064(9) -0.002(5) 0.024(6) 0.004(6)
C(22) 0.030(3) 0.087(6) 0.033(3) 0.006(4) 0.015(3) -0.006(4)
C(23) 0.04(1) 0.11(2) 0.05(1) 0.04(1) -0.013(8) -0.01(1)

#==============================================================================

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_solution    SIR92
_computing_structure_refinement  CRYSTALS
_computing_publication_material  'CrystalStructure Ver. 3.5.1'

#==============================================================================

# MOLECULAR GEOMETRY

_geom_special_details            
;
A disorder model was applied for isomers exchanging methyl and ethyl groups
at C2 and C3 and population analysis indicates that the trans isomer is major
(56(2)%). The trifluoromethyl C18, F10, F11, and F12 atoms has conformers
around the C17-C18 bond and accordingly the thermal displacement factors are
somewhat large along the rotation track. The population of the major conformer
was 58(4)%.
Final residual densities were found mainly near the metal ions.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Gd(1) O(1) 2.355(4) yes . .
Gd(1) O(3) 2.423(4) yes . .
Gd(1) O(5) 2.384(4) yes . .
Gd(1) O(6) 2.393(4) yes . .
Gd(1) O(7) 2.344(4) yes . .
Gd(1) O(8) 2.417(5) yes . .
Gd(1) O(9) 2.366(4) yes . .
Cu(1) O(10) 2.174(5) yes . .
Cu(1) N(1) 1.961(5) yes . .
Cu(1) N(2) 1.975(5) yes . .
Cu(1) N(3) 2.003(4) yes . .
Cu(1) N(4) 1.979(6) yes . .
F(1) C(9) 1.334(9) yes . .
F(2) C(9) 1.31(1) yes . .
F(3) C(9) 1.29(1) yes . .
F(4) C(13) 1.30(1) yes . .
F(5) C(13) 1.34(1) yes . .
F(6) C(13) 1.31(1) yes . .
F(7) C(14) 1.33(1) yes . .
F(8) C(14) 1.350(8) yes . .
F(9) C(14) 1.32(1) yes . .
F(10) F(13) 0.85(6) yes . .
F(10) F(15) 1.72(5) yes . .
F(10) C(18) 1.32(4) yes . .
F(11) F(13) 1.37(5) yes . .
F(11) F(14) 1.04(6) yes . .
F(11) C(18) 1.26(3) yes . .
F(12) F(14) 1.45(5) yes . .
F(12) F(15) 0.57(6) yes . .
F(12) C(18) 1.23(3) yes . .
F(13) C(18) 1.18(2) yes . .
F(14) C(18) 1.35(5) yes . .
F(15) C(18) 1.27(3) yes . .
O(1) N(1) 1.364(6) yes . .
O(2) N(2) 1.331(7) yes . .
O(2) H(29) 0.950(8) no . .
O(3) N(3) 1.364(5) yes . .
O(4) N(4) 1.376(6) yes . .
O(5) C(10) 1.231(9) yes . .
O(6) C(12) 1.256(9) yes . .
O(7) C(15) 1.25(1) yes . .
O(8) C(17) 1.242(9) yes . .
O(9) C(19) 1.42(1) yes . .
O(9) H(15) 0.950(7) no . .
O(10) C(22) 1.40(1) yes . .
O(10) H(19) 0.950(5) no . .
N(1) C(2) 1.297(8) yes . .
N(2) C(3) 1.271(9) yes . .
N(3) C(6) 1.299(7) yes . .
N(4) C(7) 1.273(7) yes . .
C(1) C(2) 1.495(9) yes . .
C(1) C(21) 1.53(2) yes . .
C(1) H(1) 0.95(1) no . .
C(1) H(2) 0.950(9) no . .
C(2) C(3) 1.481(8) yes . .
C(3) C(4) 1.50(1) yes . .
C(4) C(23) 1.56(2) yes . .
C(4) H(3) 0.95(1) no . .
C(4) H(4) 0.95(1) no . .
C(5) C(6) 1.492(7) yes . .
C(5) H(5) 0.95(1) no . .
C(5) H(6) 0.95(1) no . .
C(5) H(7) 0.950(9) no . .
C(6) C(7) 1.489(7) yes . .
C(7) C(8) 1.490(9) yes . .
C(8) C(20) 1.53(1) yes . .
C(8) H(8) 0.950(9) no . .
C(8) H(9) 0.95(1) no . .
C(9) C(10) 1.543(9) yes . .
C(10) C(11) 1.40(1) yes . .
C(11) C(12) 1.381(9) yes . .
C(11) H(10) 0.95(1) no . .
C(12) C(13) 1.53(1) yes . .
C(14) C(15) 1.527(9) yes . .
C(15) C(16) 1.38(1) yes . .
C(16) C(17) 1.389(9) yes . .
C(16) H(11) 0.95(1) no . .
C(17) C(18) 1.55(1) yes . .
C(19) H(12) 0.95(1) no . .
C(19) H(13) 0.95(1) no . .
C(19) H(14) 0.95(1) no . .
C(20) H(20) 0.95(2) no . .
C(20) H(21) 0.95(1) no . .
C(20) H(22) 0.95(1) no . .
C(21) H(23) 0.95(2) no . .
C(21) H(24) 0.95(2) no . .
C(21) H(25) 0.95(3) no . .
C(22) H(16) 0.95(1) no . .
C(22) H(17) 0.950(9) no . .
C(22) H(18) 0.95(1) no . .
C(23) H(26) 0.95(3) no . .
C(23) H(27) 0.95(3) no . .
C(23) H(28) 0.95(3) no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
O(1) Gd(1) O(3) 75.1(1) yes . . .
O(1) Gd(1) O(5) 111.4(1) yes . . .
O(1) Gd(1) O(6) 74.6(2) yes . . .
O(1) Gd(1) O(7) 84.0(1) yes . . .
O(1) Gd(1) O(8) 142.6(2) yes . . .
O(1) Gd(1) O(9) 145.2(2) yes . . .
O(3) Gd(1) O(5) 76.6(2) yes . . .
O(3) Gd(1) O(6) 122.5(1) yes . . .
O(3) Gd(1) O(7) 144.5(2) yes . . .
O(3) Gd(1) O(8) 139.3(1) yes . . .
O(3) Gd(1) O(9) 76.5(1) yes . . .
O(5) Gd(1) O(6) 70.8(1) yes . . .
O(5) Gd(1) O(7) 138.5(2) yes . . .
O(5) Gd(1) O(8) 74.4(1) yes . . .
O(5) Gd(1) O(9) 80.7(1) yes . . .
O(6) Gd(1) O(7) 77.3(1) yes . . .
O(6) Gd(1) O(8) 72.8(1) yes . . .
O(6) Gd(1) O(9) 138.8(2) yes . . .
O(7) Gd(1) O(8) 71.3(1) yes . . .
O(7) Gd(1) O(9) 108.9(1) yes . . .
O(8) Gd(1) O(9) 71.2(2) yes . . .
O(10) Cu(1) N(1) 105.7(2) yes . . .
O(10) Cu(1) N(2) 94.4(2) yes . . .
O(10) Cu(1) N(3) 99.2(2) yes . . .
O(10) Cu(1) N(4) 94.8(2) yes . . .
N(1) Cu(1) N(2) 80.3(2) yes . . .
N(1) Cu(1) N(3) 101.0(2) yes . . .
N(1) Cu(1) N(4) 159.2(3) yes . . .
N(2) Cu(1) N(3) 165.3(2) yes . . .
N(2) Cu(1) N(4) 94.6(2) yes . . .
N(3) Cu(1) N(4) 79.0(2) yes . . .
F(13) F(10) F(15) 100(4) yes . . .
F(13) F(10) C(18) 61(2) yes . . .
F(15) F(10) C(18) 47(1) yes . . .
F(13) F(11) F(14) 118(2) yes . . .
F(13) F(11) C(18) 53(1) yes . . .
F(14) F(11) C(18) 70(3) yes . . .
F(14) F(12) F(15) 138(4) yes . . .
F(14) F(12) C(18) 59(2) yes . . .
F(15) F(12) C(18) 81(4) yes . . .
C(18) F(13) F(10) 79(2) yes . . .
C(18) F(13) F(11) 58(2) yes . . .
F(10) F(13) F(11) 135(3) yes . . .
C(18) F(14) F(11) 62(3) yes . . .
C(18) F(14) F(12) 51(2) yes . . .
F(11) F(14) F(12) 108(3) yes . . .
C(18) F(15) F(10) 49(1) yes . . .
C(18) F(15) F(12) 72(3) yes . . .
F(10) F(15) F(12) 116(4) yes . . .
N(1) O(1) Gd(1) 112.6(3) yes . . .
N(2) O(2) H(29) 119.9(5) no . . .
N(3) O(3) Gd(1) 112.7(3) yes . . .
C(10) O(5) Gd(1) 134.3(4) yes . . .
C(12) O(6) Gd(1) 133.7(4) yes . . .
C(15) O(7) Gd(1) 132.4(4) yes . . .
C(17) O(8) Gd(1) 132.7(4) yes . . .
C(19) O(9) H(15) 113.2(5) no . . .
C(19) O(9) Gd(1) 133.8(5) yes . . .
H(15) O(9) Gd(1) 113.0(4) no . . .
C(22) O(10) H(19) 117.6(6) no . . .
C(22) O(10) Cu(1) 124.8(4) yes . . .
H(19) O(10) Cu(1) 117.6(5) no . . .
C(2) N(1) Cu(1) 115.0(4) yes . . .
C(2) N(1) O(1) 119.1(5) yes . . .
Cu(1) N(1) O(1) 125.9(4) yes . . .
C(3) N(2) Cu(1) 116.1(4) yes . . .
C(3) N(2) O(2) 121.2(5) yes . . .
Cu(1) N(2) O(2) 122.7(4) yes . . .
C(6) N(3) Cu(1) 115.4(3) yes . . .
C(6) N(3) O(3) 117.4(4) yes . . .
Cu(1) N(3) O(3) 125.8(3) yes . . .
C(7) N(4) Cu(1) 117.4(4) yes . . .
C(7) N(4) O(4) 119.2(5) yes . . .
Cu(1) N(4) O(4) 123.2(4) yes . . .
C(2) C(1) C(21) 109.0(7) yes . . .
C(2) C(1) H(1) 109.5(8) no . . .
C(2) C(1) H(2) 109.7(8) no . . .
C(21) C(1) H(1) 109.7(9) no . . .
C(21) C(1) H(2) 109.5(9) no . . .
H(1) C(1) H(2) 109(1) no . . .
C(3) C(2) N(1) 114.7(6) yes . . .
C(3) C(2) C(1) 123.7(6) yes . . .
N(1) C(2) C(1) 121.5(5) yes . . .
C(4) C(3) N(2) 124.7(6) yes . . .
C(4) C(3) C(2) 121.4(7) yes . . .
N(2) C(3) C(2) 113.8(6) yes . . .
C(23) C(4) H(3) 109(1) no . . .
C(23) C(4) H(4) 108(1) no . . .
C(23) C(4) C(3) 112(1) yes . . .
H(3) C(4) H(4) 109(1) no . . .
H(3) C(4) C(3) 108(1) no . . .
H(4) C(4) C(3) 108.9(7) no . . .
C(6) C(5) H(5) 109.7(7) no . . .
C(6) C(5) H(6) 109.3(7) no . . .
C(6) C(5) H(7) 109.4(6) no . . .
H(5) C(5) H(6) 109.5(8) no . . .
H(5) C(5) H(7) 109.5(9) no . . .
H(6) C(5) H(7) 109.5(9) no . . .
C(7) C(6) N(3) 113.8(4) yes . . .
C(7) C(6) C(5) 121.6(5) yes . . .
N(3) C(6) C(5) 124.5(5) yes . . .
C(8) C(7) N(4) 124.0(5) yes . . .
C(8) C(7) C(6) 122.2(5) yes . . .
N(4) C(7) C(6) 113.9(5) yes . . .
C(20) C(8) H(8) 109.0(9) no . . .
C(20) C(8) H(9) 109.0(8) no . . .
C(20) C(8) C(7) 111.7(7) yes . . .
H(8) C(8) H(9) 109(1) no . . .
H(8) C(8) C(7) 108.8(6) no . . .
H(9) C(8) C(7) 108.9(7) no . . .
C(10) C(9) F(1) 108.9(5) yes . . .
C(10) C(9) F(2) 110.2(7) yes . . .
C(10) C(9) F(3) 114.9(7) yes . . .
F(1) C(9) F(2) 106.9(7) yes . . .
F(1) C(9) F(3) 105.8(8) yes . . .
F(2) C(9) F(3) 109.7(6) yes . . .
C(11) C(10) O(5) 128.4(6) yes . . .
C(11) C(10) C(9) 116.7(7) yes . . .
O(5) C(10) C(9) 114.8(6) yes . . .
C(12) C(11) H(10) 120.0(8) no . . .
C(12) C(11) C(10) 119.8(7) yes . . .
H(10) C(11) C(10) 120.2(7) no . . .
C(13) C(12) O(6) 113.4(6) yes . . .
C(13) C(12) C(11) 118.1(7) yes . . .
O(6) C(12) C(11) 128.5(7) yes . . .
F(4) C(13) F(5) 106.1(7) yes . . .
F(4) C(13) F(6) 109.2(9) yes . . .
F(4) C(13) C(12) 111.2(7) yes . . .
F(5) C(13) F(6) 106.2(6) yes . . .
F(5) C(13) C(12) 109.5(8) yes . . .
F(6) C(13) C(12) 114.3(7) yes . . .
C(15) C(14) F(7) 111.4(7) yes . . .
C(15) C(14) F(8) 110.2(5) yes . . .
C(15) C(14) F(9) 114.3(7) yes . . .
F(7) C(14) F(8) 105.5(7) yes . . .
F(7) C(14) F(9) 107.5(6) yes . . .
F(8) C(14) F(9) 107.5(7) yes . . .
C(16) C(15) O(7) 129.1(6) yes . . .
C(16) C(15) C(14) 117.6(7) yes . . .
O(7) C(15) C(14) 113.3(7) yes . . .
C(17) C(16) H(11) 119.9(9) no . . .
C(17) C(16) C(15) 120.2(7) yes . . .
H(11) C(16) C(15) 119.9(8) no . . .
C(18) C(17) O(8) 114.6(6) yes . . .
C(18) C(17) C(16) 117.5(7) yes . . .
O(8) C(17) C(16) 127.8(7) yes . . .
F(10) C(18) F(11) 106(2) yes . . .
F(10) C(18) F(12) 106(1) yes . . .
F(10) C(18) F(14) 139(3) yes . . .
F(10) C(18) C(17) 109(2) yes . . .
F(11) C(18) F(12) 109(2) yes . . .
F(11) C(18) F(15) 129(2) yes . . .
F(11) C(18) C(17) 111(1) yes . . .
F(12) C(18) F(13) 127(2) yes . . .
F(12) C(18) C(17) 113(1) yes . . .
F(13) C(18) F(10) 39(2) yes . . .
F(13) C(18) F(11) 68(2) yes . . .
F(13) C(18) F(14) 110(3) yes . . .
F(13) C(18) F(15) 113(2) yes . . .
F(13) C(18) C(17) 115(2) yes . . .
F(14) C(18) F(11) 46(2) yes . . .
F(14) C(18) F(12) 68(2) yes . . .
F(14) C(18) F(15) 93(2) yes . . .
F(14) C(18) C(17) 108(2) yes . . .
F(15) C(18) F(10) 82(2) yes . . .
F(15) C(18) F(12) 26(2) yes . . .
F(15) C(18) C(17) 111(1) yes . . .
H(12) C(19) H(13) 109(1) no . . .
H(12) C(19) H(14) 109(1) no . . .
H(12) C(19) O(9) 109(1) no . . .
H(13) C(19) H(14) 109(1) no . . .
H(13) C(19) O(9) 109.6(9) no . . .
H(14) C(19) O(9) 109.4(8) no . . .
H(20) C(20) H(21) 109(1) no . . .
H(20) C(20) H(22) 109(1) no . . .
H(20) C(20) C(8) 109(1) no . . .
H(21) C(20) H(22) 109(1) no . . .
H(21) C(20) C(8) 109(1) no . . .
H(22) C(20) C(8) 109(1) no . . .
H(23) C(21) H(24) 109(1) no . . .
H(23) C(21) H(25) 109(2) no . . .
H(23) C(21) C(1) 109(1) no . . .
H(24) C(21) H(25) 109(2) no . . .
H(24) C(21) C(1) 109(1) no . . .
H(25) C(21) C(1) 109(1) no . . .
H(16) C(22) H(17) 109(1) no . . .
H(16) C(22) H(18) 109(1) no . . .
H(16) C(22) O(10) 109.4(8) no . . .
H(17) C(22) H(18) 109.5(9) no . . .
H(17) C(22) O(10) 109.3(9) no . . .
H(18) C(22) O(10) 109.7(9) no . . .
H(26) C(23) H(27) 109(2) no . . .
H(26) C(23) H(28) 109(3) no . . .
H(26) C(23) C(4) 108(2) no . . .
H(27) C(23) H(28) 109(3) no . . .
H(27) C(23) C(4) 109(2) no . . .
H(28) C(23) C(4) 109(1) no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O(3) Gd(1) O(1) N(1) 76.8(4) yes . . . .
O(5) Gd(1) O(1) N(1) 8.0(4) yes . . . .
O(6) Gd(1) O(1) N(1) -53.7(4) yes . . . .
O(7) Gd(1) O(1) N(1) -132.1(4) yes . . . .
O(8) Gd(1) O(1) N(1) -84.0(4) yes . . . .
O(9) Gd(1) O(1) N(1) 113.0(4) yes . . . .
O(1) Gd(1) O(3) N(3) -74.4(3) yes . . . .
O(5) Gd(1) O(3) N(3) 42.4(3) yes . . . .
O(6) Gd(1) O(3) N(3) -14.0(3) yes . . . .
O(7) Gd(1) O(3) N(3) -130.5(3) yes . . . .
O(8) Gd(1) O(3) N(3) 87.8(3) yes . . . .
O(9) Gd(1) O(3) N(3) 125.9(3) yes . . . .
O(1) Gd(1) O(5) C(10) -85.8(5) yes . . . .
O(3) Gd(1) O(5) C(10) -153.7(5) yes . . . .
O(6) Gd(1) O(5) C(10) -21.8(5) yes . . . .
O(7) Gd(1) O(5) C(10) 20.1(5) yes . . . .
O(8) Gd(1) O(5) C(10) 55.1(5) yes . . . .
O(9) Gd(1) O(5) C(10) 128.1(5) yes . . . .
O(1) Gd(1) O(6) C(12) 139.0(6) yes . . . .
O(3) Gd(1) O(6) C(12) 78.4(6) yes . . . .
O(5) Gd(1) O(6) C(12) 19.3(5) yes . . . .
O(7) Gd(1) O(6) C(12) -133.7(6) yes . . . .
O(8) Gd(1) O(6) C(12) -59.7(5) yes . . . .
O(9) Gd(1) O(6) C(12) -29.5(6) yes . . . .
O(1) Gd(1) O(7) C(15) 124.7(4) yes . . . .
O(3) Gd(1) O(7) C(15) 178.4(4) yes . . . .
O(5) Gd(1) O(7) C(15) 8.9(5) yes . . . .
O(6) Gd(1) O(7) C(15) 49.1(4) yes . . . .
O(8) Gd(1) O(7) C(15) -26.8(4) yes . . . .
O(9) Gd(1) O(7) C(15) -88.5(5) yes . . . .
O(1) Gd(1) O(8) C(17) -29.2(6) yes . . . .
O(3) Gd(1) O(8) C(17) 179.8(6) yes . . . .
O(5) Gd(1) O(8) C(17) -134.1(6) yes . . . .
O(6) Gd(1) O(8) C(17) -59.8(5) yes . . . .
O(7) Gd(1) O(8) C(17) 22.2(5) yes . . . .
O(9) Gd(1) O(8) C(17) 140.6(6) yes . . . .
O(1) Gd(1) O(9) C(19) -150.8(5) yes . . . .
O(3) Gd(1) O(9) C(19) -114.8(6) yes . . . .
O(5) Gd(1) O(9) C(19) -36.5(6) yes . . . .
O(6) Gd(1) O(9) C(19) 9.6(7) yes . . . .
O(7) Gd(1) O(9) C(19) 101.8(6) yes . . . .
O(8) Gd(1) O(9) C(19) 40.0(6) yes . . . .
N(1) Cu(1) O(10) C(22) 120.5(5) yes . . . .
N(2) Cu(1) O(10) C(22) -158.4(5) yes . . . .
N(3) Cu(1) O(10) C(22) 16.2(5) yes . . . .
N(4) Cu(1) O(10) C(22) -63.4(5) yes . . . .
O(10) Cu(1) N(1) O(1) -90.4(5) yes . . . .
O(10) Cu(1) N(1) C(2) 91.5(5) yes . . . .
N(2) Cu(1) N(1) O(1) 177.7(5) yes . . . .
N(2) Cu(1) N(1) C(2) -0.4(5) yes . . . .
N(3) Cu(1) N(1) O(1) 12.6(5) yes . . . .
N(3) Cu(1) N(1) C(2) -165.5(5) yes . . . .
N(4) Cu(1) N(1) O(1) 100.6(6) yes . . . .
N(4) Cu(1) N(1) C(2) -77.5(6) yes . . . .
O(10) Cu(1) N(2) O(2) 76.7(5) yes . . . .
O(10) Cu(1) N(2) C(3) -106.0(6) yes . . . .
N(1) Cu(1) N(2) O(2) -178.1(5) yes . . . .
N(1) Cu(1) N(2) C(3) -0.8(5) yes . . . .
N(3) Cu(1) N(2) O(2) -81.7(8) yes . . . .
N(3) Cu(1) N(2) C(3) 95.6(8) yes . . . .
N(4) Cu(1) N(2) O(2) -18.4(5) yes . . . .
N(4) Cu(1) N(2) C(3) 158.8(5) yes . . . .
O(10) Cu(1) N(3) O(3) 97.2(5) yes . . . .
O(10) Cu(1) N(3) C(6) -97.0(5) yes . . . .
N(1) Cu(1) N(3) O(3) -10.9(5) yes . . . .
N(1) Cu(1) N(3) C(6) 154.9(5) yes . . . .
N(2) Cu(1) N(3) O(3) -104.6(6) yes . . . .
N(2) Cu(1) N(3) C(6) 61.2(8) yes . . . .
N(4) Cu(1) N(3) O(3) -169.7(5) yes . . . .
N(4) Cu(1) N(3) C(6) -3.8(5) yes . . . .
O(10) Cu(1) N(4) O(4) -76.9(5) yes . . . .
O(10) Cu(1) N(4) C(7) 97.9(5) yes . . . .
N(1) Cu(1) N(4) O(4) 92.5(6) yes . . . .
N(1) Cu(1) N(4) C(7) -92.7(7) yes . . . .
N(2) Cu(1) N(4) O(4) 17.9(6) yes . . . .
N(2) Cu(1) N(4) C(7) -167.3(5) yes . . . .
N(3) Cu(1) N(4) O(4) -175.4(6) yes . . . .
N(3) Cu(1) N(4) C(7) -0.6(5) yes . . . .
F(15) F(10) F(13) F(11) 10(8) yes . . . .
F(15) F(10) F(13) C(18) 27(2) yes . . . .
C(18) F(10) F(13) F(11) -17(5) yes . . . .
F(13) F(10) F(15) F(12) -2(7) yes . . . .
F(13) F(10) F(15) C(18) -33(3) yes . . . .
C(18) F(10) F(15) F(12) 30(6) yes . . . .
F(13) F(10) C(18) F(11) 13(4) yes . . . .
F(13) F(10) C(18) F(12) 129(4) yes . . . .
F(13) F(10) C(18) F(14) 54(5) yes . . . .
F(13) F(10) C(18) F(15) 142(4) yes . . . .
F(13) F(10) C(18) C(17) -107(4) yes . . . .
F(15) F(10) C(18) F(11) -128(2) yes . . . .
F(15) F(10) C(18) F(12) -12(3) yes . . . .
F(15) F(10) C(18) F(13) -142(4) yes . . . .
F(15) F(10) C(18) F(14) -87(3) yes . . . .
F(15) F(10) C(18) C(17) 110(2) yes . . . .
F(14) F(11) F(13) F(10) -9(8) yes . . . .
F(14) F(11) F(13) C(18) -28(3) yes . . . .
C(18) F(11) F(13) F(10) 19(6) yes . . . .
F(13) F(11) F(14) F(12) 0(5) yes . . . .
F(13) F(11) F(14) C(18) 24(2) yes . . . .
C(18) F(11) F(14) F(12) -24(3) yes . . . .
F(13) F(11) C(18) F(10) -9(2) yes . . . .
F(13) F(11) C(18) F(12) -123(1) yes . . . .
F(13) F(11) C(18) F(14) -153(2) yes . . . .
F(13) F(11) C(18) F(15) -103(2) yes . . . .
F(13) F(11) C(18) C(17) 110(1) yes . . . .
F(14) F(11) C(18) F(10) 144(2) yes . . . .
F(14) F(11) C(18) F(12) 30(2) yes . . . .
F(14) F(11) C(18) F(13) 153(2) yes . . . .
F(14) F(11) C(18) F(15) 49(2) yes . . . .
F(14) F(11) C(18) C(17) -96(1) yes . . . .
F(15) F(12) F(14) F(11) 8(11) yes . . . .
F(15) F(12) F(14) C(18) -20(8) yes . . . .
C(18) F(12) F(14) F(11) 28(3) yes . . . .
F(14) F(12) F(15) F(10) -6(10) yes . . . .
F(14) F(12) F(15) C(18) 17(7) yes . . . .
C(18) F(12) F(15) F(10) -23(4) yes . . . .
F(14) F(12) C(18) F(10) -137(2) yes . . . .
F(14) F(12) C(18) F(11) -23(2) yes . . . .
F(14) F(12) C(18) F(13) -99(3) yes . . . .
F(14) F(12) C(18) F(15) -166(5) yes . . . .
F(14) F(12) C(18) C(17) 101(1) yes . . . .
F(15) F(12) C(18) F(10) 29(5) yes . . . .
F(15) F(12) C(18) F(11) 143(4) yes . . . .
F(15) F(12) C(18) F(13) 66(6) yes . . . .
F(15) F(12) C(18) F(14) 166(5) yes . . . .
F(15) F(12) C(18) C(17) -91(4) yes . . . .
F(10) F(13) C(18) F(11) -166(4) yes . . . .
F(10) F(13) C(18) F(12) -67(6) yes . . . .
F(10) F(13) C(18) F(14) -145(4) yes . . . .
F(10) F(13) C(18) F(15) -41(5) yes . . . .
F(10) F(13) C(18) C(17) 89(4) yes . . . .
F(11) F(13) C(18) F(10) 166(5) yes . . . .
F(11) F(13) C(18) F(12) 98(4) yes . . . .
F(11) F(13) C(18) F(14) 20(3) yes . . . .
F(11) F(13) C(18) F(15) 124(3) yes . . . .
F(11) F(13) C(18) C(17) -103(2) yes . . . .
F(11) F(14) C(18) F(10) -59(4) yes . . . .
F(11) F(14) C(18) F(12) -149(4) yes . . . .
F(11) F(14) C(18) F(13) -26(4) yes . . . .
F(11) F(14) C(18) F(15) -143(3) yes . . . .
F(11) F(14) C(18) C(17) 101(3) yes . . . .
F(12) F(14) C(18) F(10) 89(4) yes . . . .
F(12) F(14) C(18) F(11) 149(3) yes . . . .
F(12) F(14) C(18) F(13) 122(3) yes . . . .
F(12) F(14) C(18) F(15) 5(3) yes . . . .
F(12) F(14) C(18) C(17) -108(2) yes . . . .
F(10) F(15) C(18) F(11) 105(3) yes . . . .
F(10) F(15) C(18) F(12) 151(5) yes . . . .
F(10) F(15) C(18) F(13) 24(3) yes . . . .
F(10) F(15) C(18) F(14) 139(3) yes . . . .
F(10) F(15) C(18) C(17) -108(2) yes . . . .
F(12) F(15) C(18) F(10) -151(5) yes . . . .
F(12) F(15) C(18) F(11) -46(5) yes . . . .
F(12) F(15) C(18) F(13) -126(5) yes . . . .
F(12) F(15) C(18) F(14) -12(5) yes . . . .
F(12) F(15) C(18) C(17) 99(5) yes . . . .
Gd(1) O(1) N(1) Cu(1) -60.3(6) yes . . . .
Gd(1) O(1) N(1) C(2) 117.7(6) yes . . . .
Gd(1) O(3) N(3) Cu(1) 55.1(5) yes . . . .
Gd(1) O(3) N(3) C(6) -110.5(5) yes . . . .
Gd(1) O(5) C(10) C(9) -162.8(4) yes . . . .
Gd(1) O(5) C(10) C(11) 18.0(9) yes . . . .
Gd(1) O(6) C(12) C(11) -13(1) yes . . . .
Gd(1) O(6) C(12) C(13) 166.7(5) yes . . . .
Gd(1) O(7) C(15) C(14) -152.7(4) yes . . . .
Gd(1) O(7) C(15) C(16) 24.3(9) yes . . . .
Gd(1) O(8) C(17) C(16) -13(1) yes . . . .
Gd(1) O(8) C(17) C(18) 162.4(5) yes . . . .
Cu(1) N(1) C(2) C(1) -179.3(6) yes . . . .
Cu(1) N(1) C(2) C(3) 1.3(8) yes . . . .
O(1) N(1) C(2) C(1) 2(1) yes . . . .
O(1) N(1) C(2) C(3) -176.9(6) yes . . . .
Cu(1) N(2) C(3) C(2) 1.7(9) yes . . . .
Cu(1) N(2) C(3) C(4) -178.6(7) yes . . . .
O(2) N(2) C(3) C(2) 179.0(6) yes . . . .
O(2) N(2) C(3) C(4) -1(1) yes . . . .
Cu(1) N(3) C(6) C(5) -169.1(6) yes . . . .
Cu(1) N(3) C(6) C(7) 7.0(8) yes . . . .
O(3) N(3) C(6) C(5) -2(1) yes . . . .
O(3) N(3) C(6) C(7) 174.1(6) yes . . . .
Cu(1) N(4) C(7) C(6) 4.3(9) yes . . . .
Cu(1) N(4) C(7) C(8) -175.1(6) yes . . . .
O(4) N(4) C(7) C(6) 179.4(6) yes . . . .
O(4) N(4) C(7) C(8) 0(1) yes . . . .
C(21) C(1) C(2) N(1) 111.3(7) yes . . . .
C(21) C(1) C(2) C(3) -69(1) yes . . . .
N(1) C(2) C(3) N(2) -2(1) yes . . . .
N(1) C(2) C(3) C(4) 178.3(8) yes . . . .
C(1) C(2) C(3) N(2) 178.7(7) yes . . . .
C(1) C(2) C(3) C(4) -1(1) yes . . . .
N(2) C(3) C(4) C(23) -111(1) yes . . . .
C(2) C(3) C(4) C(23) 67(1) yes . . . .
N(3) C(6) C(7) N(4) -7(1) yes . . . .
N(3) C(6) C(7) C(8) 172.0(7) yes . . . .
C(5) C(6) C(7) N(4) 168.8(7) yes . . . .
C(5) C(6) C(7) C(8) -11(1) yes . . . .
N(4) C(7) C(8) C(20) 87.6(9) yes . . . .
C(6) C(7) C(8) C(20) -91.8(8) yes . . . .
F(1) C(9) C(10) O(5) 58(1) yes . . . .
F(1) C(9) C(10) C(11) -122.6(8) yes . . . .
F(2) C(9) C(10) O(5) -58.9(8) yes . . . .
F(2) C(9) C(10) C(11) 120.4(8) yes . . . .
F(3) C(9) C(10) O(5) 176.7(6) yes . . . .
F(3) C(9) C(10) C(11) -4.1(9) yes . . . .
O(5) C(10) C(11) C(12) 1(1) yes . . . .
C(9) C(10) C(11) C(12) -177.9(5) yes . . . .
C(10) C(11) C(12) O(6) -3(1) yes . . . .
C(10) C(11) C(12) C(13) 176.6(6) yes . . . .
O(6) C(12) C(13) F(4) -44(1) yes . . . .
O(6) C(12) C(13) F(5) 72.8(8) yes . . . .
O(6) C(12) C(13) F(6) -168.3(6) yes . . . .
C(11) C(12) C(13) F(4) 135.8(8) yes . . . .
C(11) C(12) C(13) F(5) -107.4(8) yes . . . .
C(11) C(12) C(13) F(6) 11(1) yes . . . .
F(7) C(14) C(15) O(7) -54.6(8) yes . . . .
F(7) C(14) C(15) C(16) 128.0(8) yes . . . .
F(8) C(14) C(15) O(7) 62(1) yes . . . .
F(8) C(14) C(15) C(16) -115.2(9) yes . . . .
F(9) C(14) C(15) O(7) -176.8(6) yes . . . .
F(9) C(14) C(15) C(16) 5.9(9) yes . . . .
O(7) C(15) C(16) C(17) 0(1) yes . . . .
C(14) C(15) C(16) C(17) 176.1(6) yes . . . .
C(15) C(16) C(17) O(8) -4(1) yes . . . .
C(15) C(16) C(17) C(18) 179.6(6) yes . . . .
O(8) C(17) C(18) F(10) 35(1) yes . . . .
O(8) C(17) C(18) F(11) -81(1) yes . . . .
O(8) C(17) C(18) F(12) 154(2) yes . . . .
O(8) C(17) C(18) F(13) -6(2) yes . . . .
O(8) C(17) C(18) F(14) -131(2) yes . . . .
O(8) C(17) C(18) F(15) 125(2) yes . . . .
C(16) C(17) C(18) F(10) -147(1) yes . . . .
C(16) C(17) C(18) F(11) 94(1) yes . . . .
C(16) C(17) C(18) F(12) -29(2) yes . . . .
C(16) C(17) C(18) F(13) 170(2) yes . . . .
C(16) C(17) C(18) F(14) 44(2) yes . . . .
C(16) C(17) C(18) F(15) -57(2) yes . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Gd(1) O(1) 2.355(4) yes . 55501
Gd(1) O(3) 2.423(4) yes . 55501
Gd(1) O(3) 2.383(4) yes . 55507
Gd(1) O(5) 2.384(4) yes . 55501
Gd(1) O(6) 2.393(4) yes . 55501
Gd(1) O(7) 2.344(4) yes . 55501
Gd(1) O(8) 2.417(5) yes . 55501
Gd(1) O(9) 2.366(4) yes . 55501
Gd(1) N(1) 3.142(4) yes . 55501
Gd(1) N(3) 3.206(5) yes . 55501
Gd(1) N(3) 3.412(5) yes . 55507
Gd(1) C(10) 3.361(7) yes . 55501
Gd(1) C(12) 3.385(8) yes . 55501
Gd(1) C(15) 3.320(7) yes . 55501
Gd(1) C(17) 3.384(7) yes . 55501
Gd(1) C(19) 3.501(7) yes . 55501
Cu(1) O(1) 2.973(4) yes . 55501
Cu(1) O(2) 2.917(4) yes . 55501
Cu(1) O(3) 3.011(3) yes . 55501
Cu(1) O(4) 2.965(5) yes . 55501
Cu(1) O(10) 2.174(5) yes . 55501
Cu(1) N(1) 1.961(5) yes . 55501
Cu(1) N(2) 1.975(5) yes . 55501
Cu(1) N(3) 2.003(4) yes . 55501
Cu(1) N(4) 1.979(6) yes . 55501
Cu(1) C(2) 2.771(6) yes . 55501
Cu(1) C(3) 2.779(7) yes . 55501
Cu(1) C(6) 2.817(5) yes . 55501
Cu(1) C(7) 2.803(6) yes . 55501
Cu(1) C(22) 3.187(9) yes . 55501
F(1) F(2) 2.123(8) yes . 55501
F(1) F(3) 2.09(1) yes . 55501
F(1) F(7) 3.394(8) yes . 54501
F(1) F(9) 3.026(7) yes . 54501
F(1) F(12) 3.37(4) yes . 54506
F(1) F(15) 2.94(4) yes . 54506
F(1) O(5) 2.751(8) yes . 55501
F(1) C(10) 2.344(8) yes . 55501
F(1) C(11) 3.411(8) yes . 55501
F(2) F(1) 2.123(8) yes . 55501
F(2) F(3) 2.12(1) yes . 55501
F(2) F(6) 3.491(7) yes . 55503
F(2) F(7) 3.300(7) yes . 54501
F(2) F(8) 2.964(6) yes . 54501
F(2) F(9) 3.293(7) yes . 54501
F(2) O(5) 2.764(6) yes . 55501
F(2) N(4) 3.558(8) yes . 55501
F(2) C(5) 3.50(1) yes . 55501
F(2) C(6) 3.33(1) yes . 55501
F(2) C(7) 3.05(1) yes . 55501
F(2) C(8) 3.19(1) yes . 55501
F(2) C(10) 2.341(7) yes . 55501
F(2) C(11) 3.391(8) yes . 55501
F(2) C(14) 3.433(8) yes . 54501
F(3) F(1) 2.09(1) yes . 55501
F(3) F(2) 2.12(1) yes . 55501
F(3) F(9) 3.442(7) yes . 54501
F(3) O(2) 3.30(1) yes . 55503
F(3) O(5) 3.459(9) yes . 55501
F(3) C(10) 2.39(1) yes . 55501
F(3) C(11) 2.715(8) yes . 55501
F(4) F(4) 3.45(1) yes . 56503
F(4) F(5) 2.10(1) yes . 55501
F(4) F(5) 3.128(9) yes . 56503
F(4) F(6) 2.124(9) yes . 55501
F(4) O(6) 2.65(1) yes . 55501
F(4) C(1) 3.27(1) yes . 56503
F(4) C(11) 3.479(9) yes . 55501
F(4) C(12) 2.34(1) yes . 55501
F(4) C(16) 3.522(9) yes . 55501
F(5) F(4) 2.10(1) yes . 55501
F(5) F(4) 3.128(9) yes . 56503
F(5) F(6) 2.12(1) yes . 55501
F(5) F(8) 3.006(8) yes . 56503
F(5) O(6) 2.862(7) yes . 55501
F(5) C(1) 3.42(1) yes . 55501
F(5) C(2) 3.41(1) yes . 55501
F(5) C(3) 3.39(1) yes . 55501
F(5) C(4) 3.32(1) yes . 55501
F(5) C(11) 3.302(9) yes . 55501
F(5) C(12) 2.346(8) yes . 55501
F(6) F(2) 3.491(7) yes . 55503
F(6) F(4) 2.124(9) yes . 55501
F(6) F(5) 2.12(1) yes . 55501
F(6) F(8) 3.343(7) yes . 56503
F(6) O(4) 3.519(9) yes . 55503
F(6) O(6) 3.473(9) yes . 55501
F(6) C(11) 2.74(1) yes . 55501
F(6) C(12) 2.39(1) yes . 55501
F(7) F(1) 3.394(8) yes . 56501
F(7) F(2) 3.300(7) yes . 56501
F(7) F(8) 2.137(6) yes . 55501
F(7) F(9) 2.14(1) yes . 55501
F(7) F(10) 3.05(3) yes . 55506
F(7) F(15) 3.24(3) yes . 55506
F(7) O(7) 2.740(6) yes . 55501
F(7) C(5) 3.45(1) yes . 55507
F(7) C(15) 2.365(8) yes . 55501
F(7) C(16) 3.459(9) yes . 55501
F(7) C(20) 3.53(1) yes . 55507
F(8) F(2) 2.964(6) yes . 56501
F(8) F(5) 3.006(8) yes . 56503
F(8) F(6) 3.343(7) yes . 56503
F(8) F(7) 2.137(6) yes . 55501
F(8) F(9) 2.156(8) yes . 55501
F(8) O(7) 2.785(6) yes . 55501
F(8) C(8) 3.47(1) yes . 56501
F(8) C(15) 2.362(7) yes . 55501
F(8) C(16) 3.372(8) yes . 55501
F(9) F(1) 3.026(7) yes . 56501
F(9) F(2) 3.293(7) yes . 56501
F(9) F(3) 3.442(7) yes . 56501
F(9) F(7) 2.14(1) yes . 55501
F(9) F(8) 2.156(8) yes . 55501
F(9) F(10) 3.05(4) yes . 55506
F(9) O(7) 3.484(8) yes . 55501
F(9) C(4) 3.36(1) yes . 56503
F(9) C(9) 3.495(8) yes . 56501
F(9) C(15) 2.397(9) yes . 55501
F(9) C(16) 2.715(8) yes . 55501
F(10) F(7) 3.05(3) yes . 54506
F(10) F(9) 3.05(4) yes . 54506
F(10) F(11) 2.07(5) yes . 55501
F(10) F(12) 2.04(5) yes . 55501
F(10) F(14) 2.51(6) yes . 55501
F(10) F(15) 1.72(5) yes . 55501
F(10) O(8) 2.62(3) yes . 55501
F(10) C(14) 3.43(3) yes . 54506
F(10) C(16) 3.55(3) yes . 55501
F(10) C(17) 2.35(3) yes . 55501
F(11) F(10) 2.07(5) yes . 55501
F(11) F(12) 2.03(4) yes . 55501
F(11) F(15) 2.29(4) yes . 55501
F(11) O(8) 2.94(3) yes . 55501
F(11) C(11) 3.54(2) yes . 55501
F(11) C(16) 3.19(3) yes . 55501
F(11) C(17) 2.33(3) yes . 55501
F(11) C(20) 3.49(2) yes . 55504
F(12) F(1) 3.37(4) yes . 55506
F(12) F(10) 2.04(5) yes . 55501
F(12) F(11) 2.03(4) yes . 55501
F(12) F(13) 2.16(3) yes . 55501
F(12) F(14) 1.45(5) yes . 55501
F(12) O(8) 3.37(4) yes . 55501
F(12) C(16) 2.75(3) yes . 55501
F(12) C(17) 2.33(3) yes . 55501
F(12) C(19) 3.15(3) yes . 55506
F(12) C(20) 3.22(4) yes . 55504
F(13) F(12) 2.16(3) yes . 55501
F(13) F(14) 2.08(6) yes . 55501
F(13) F(15) 2.05(4) yes . 55501
F(13) O(8) 2.58(5) yes . 55501
F(13) C(16) 3.54(3) yes . 55501
F(13) C(17) 2.32(3) yes . 55501
F(14) F(10) 2.51(6) yes . 55501
F(14) F(12) 1.45(5) yes . 55501
F(14) F(13) 2.08(6) yes . 55501
F(14) F(15) 1.91(5) yes . 55501
F(14) O(8) 3.33(5) yes . 55501
F(14) C(16) 2.79(5) yes . 55501
F(14) C(17) 2.36(5) yes . 55501
F(14) C(20) 3.26(5) yes . 55504
F(15) F(1) 2.94(4) yes . 55506
F(15) F(7) 3.24(3) yes . 54506
F(15) F(10) 1.72(5) yes . 55501
F(15) F(11) 2.29(4) yes . 55501
F(15) F(13) 2.05(4) yes . 55501
F(15) F(14) 1.91(5) yes . 55501
F(15) O(8) 3.26(3) yes . 55501
F(15) C(16) 2.90(3) yes . 55501
F(15) C(17) 2.34(2) yes . 55501
F(15) C(19) 3.37(4) yes . 55506
F(15) C(20) 3.40(4) yes . 55504
O(1) Gd(1) 2.355(4) yes . 55501
O(1) Cu(1) 2.973(4) yes . 55501
O(1) O(3) 2.914(5) yes . 55501
O(1) O(3) 2.925(5) yes . 55507
O(1) O(6) 2.878(7) yes . 55501
O(1) O(7) 3.146(5) yes . 55501
O(1) O(9) 2.576(7) yes . 55507
O(1) N(3) 3.274(6) yes . 55501
O(1) C(1) 2.744(8) yes . 55501
O(1) C(2) 2.294(7) yes . 55501
O(1) C(19) 3.39(1) yes . 55507
O(2) Cu(1) 2.917(4) yes . 55501
O(2) F(3) 3.30(1) yes . 55503
O(2) O(2) 3.464(8) yes . 55402
O(2) O(4) 2.522(7) yes . 55501
O(2) O(10) 2.677(5) yes . 55402
O(2) N(4) 3.013(7) yes . 55501
O(2) C(2) 3.573(8) yes . 55501
O(2) C(3) 2.267(9) yes . 55501
O(2) C(4) 2.82(1) yes . 55501
O(2) C(22) 3.297(7) yes . 55402
O(3) Gd(1) 2.423(4) yes . 55501
O(3) Gd(1) 2.383(4) yes . 55507
O(3) Cu(1) 3.011(3) yes . 55501
O(3) O(1) 2.914(5) yes . 55501
O(3) O(1) 2.925(5) yes . 55507
O(3) O(3) 2.686(5) yes . 55507
O(3) O(5) 2.979(7) yes . 55501
O(3) O(7) 3.022(7) yes . 55507
O(3) O(9) 2.964(5) yes . 55501
O(3) O(9) 2.883(6) yes . 55507
O(3) N(1) 3.290(6) yes . 55501
O(3) C(5) 2.770(7) yes . 55501
O(3) C(6) 2.275(7) yes . 55501
O(4) Cu(1) 2.965(5) yes . 55501
O(4) F(6) 3.519(9) yes . 55503
O(4) O(2) 2.522(7) yes . 55501
O(4) N(2) 3.039(8) yes . 55501
O(4) C(7) 2.285(6) yes . 55501
O(4) C(8) 2.777(8) yes . 55501
O(4) C(20) 3.40(1) yes . 55501
O(5) Gd(1) 2.384(4) yes . 55501
O(5) F(1) 2.751(8) yes . 55501
O(5) F(2) 2.764(6) yes . 55501
O(5) F(3) 3.459(9) yes . 55501
O(5) O(3) 2.979(7) yes . 55501
O(5) O(6) 2.768(6) yes . 55501
O(5) O(8) 2.902(6) yes . 55501
O(5) O(9) 3.075(6) yes . 55501
O(5) N(3) 2.897(7) yes . 55501
O(5) C(5) 3.396(9) yes . 55501
O(5) C(6) 3.038(8) yes . 55501
O(5) C(9) 2.34(1) yes . 55501
O(5) C(11) 2.369(9) yes . 55501
O(5) C(12) 2.860(8) yes . 55501
O(5) C(19) 3.389(8) yes . 55501
O(6) Gd(1) 2.393(4) yes . 55501
O(6) F(4) 2.65(1) yes . 55501
O(6) F(5) 2.862(7) yes . 55501
O(6) F(6) 3.473(9) yes . 55501
O(6) O(1) 2.878(7) yes . 55501
O(6) O(5) 2.768(6) yes . 55501
O(6) O(7) 2.959(6) yes . 55501
O(6) O(8) 2.856(5) yes . 55501
O(6) N(1) 2.917(8) yes . 55501
O(6) C(1) 3.369(8) yes . 55501
O(6) C(2) 3.106(7) yes . 55501
O(6) C(10) 2.868(7) yes . 55501
O(6) C(11) 2.375(8) yes . 55501
O(6) C(13) 2.34(1) yes . 55501
O(6) C(15) 3.251(7) yes . 55501
O(6) C(16) 3.429(7) yes . 55501
O(6) C(17) 3.237(6) yes . 55501
O(7) Gd(1) 2.344(4) yes . 55501
O(7) F(7) 2.740(6) yes . 55501
O(7) F(8) 2.785(6) yes . 55501
O(7) F(9) 3.484(8) yes . 55501
O(7) O(1) 3.146(5) yes . 55501
O(7) O(3) 3.022(7) yes . 55507
O(7) O(6) 2.959(6) yes . 55501
O(7) O(8) 2.776(6) yes . 55501
O(7) N(3) 3.297(7) yes . 55507
O(7) C(5) 3.272(9) yes . 55507
O(7) C(6) 3.383(9) yes . 55507
O(7) C(14) 2.326(9) yes . 55501
O(7) C(16) 2.38(1) yes . 55501
O(7) C(17) 2.881(9) yes . 55501
O(8) Gd(1) 2.417(5) yes . 55501
O(8) F(10) 2.62(3) yes . 55501
O(8) F(11) 2.94(3) yes . 55501
O(8) F(12) 3.37(4) yes . 55501
O(8) F(13) 2.58(5) yes . 55501
O(8) F(14) 3.33(5) yes . 55501
O(8) F(15) 3.26(3) yes . 55501
O(8) O(5) 2.902(6) yes . 55501
O(8) O(6) 2.856(5) yes . 55501
O(8) O(7) 2.776(6) yes . 55501
O(8) O(9) 2.786(8) yes . 55501
O(8) C(10) 3.251(7) yes . 55501
O(8) C(11) 3.447(7) yes . 55501
O(8) C(12) 3.246(7) yes . 55501
O(8) C(15) 2.855(7) yes . 55501
O(8) C(16) 2.363(8) yes . 55501
O(8) C(18) 2.35(1) yes . 55501
O(8) C(19) 3.05(1) yes . 55501
O(9) Gd(1) 2.366(4) yes . 55501
O(9) O(1) 2.576(7) yes . 55507
O(9) O(3) 2.964(5) yes . 55501
O(9) O(3) 2.883(6) yes . 55507
O(9) O(5) 3.075(6) yes . 55501
O(9) O(8) 2.786(8) yes . 55501
O(9) O(10) 3.440(6) yes . 55507
O(9) N(1) 3.148(8) yes . 55507
O(9) N(3) 3.387(7) yes . 55507
O(9) C(22) 3.596(9) yes . 55507
O(10) Cu(1) 2.174(5) yes . 55501
O(10) O(2) 2.677(5) yes . 55402
O(10) O(9) 3.440(6) yes . 55507
O(10) N(1) 3.298(7) yes . 55501
O(10) N(2) 3.048(8) yes . 55501
O(10) N(3) 3.184(5) yes . 55501
O(10) N(4) 3.059(8) yes . 55501
O(10) C(4) 3.39(1) yes . 55402
O(10) C(23) 3.59(2) yes . 55402
N(1) Gd(1) 3.142(4) yes . 55501
N(1) Cu(1) 1.961(5) yes . 55501
N(1) O(3) 3.290(6) yes . 55501
N(1) O(6) 2.917(8) yes . 55501
N(1) O(9) 3.148(8) yes . 55507
N(1) O(10) 3.298(7) yes . 55501
N(1) N(2) 2.538(7) yes . 55501
N(1) N(3) 3.059(7) yes . 55501
N(1) C(1) 2.438(9) yes . 55501
N(1) C(3) 2.342(8) yes . 55501
N(1) C(21) 3.41(1) yes . 55501
N(2) Cu(1) 1.975(5) yes . 55501
N(2) O(4) 3.039(8) yes . 55501
N(2) O(10) 3.048(8) yes . 55501
N(2) N(1) 2.538(7) yes . 55501
N(2) N(4) 2.904(7) yes . 55501
N(2) C(2) 2.309(8) yes . 55501
N(2) C(4) 2.46(1) yes . 55501
N(2) C(23) 3.50(2) yes . 55501
N(3) Gd(1) 3.206(5) yes . 55501
N(3) Gd(1) 3.412(5) yes . 55507
N(3) Cu(1) 2.003(4) yes . 55501
N(3) O(1) 3.274(6) yes . 55501
N(3) O(5) 2.897(7) yes . 55501
N(3) O(7) 3.297(7) yes . 55507
N(3) O(9) 3.387(7) yes . 55507
N(3) O(10) 3.184(5) yes . 55501
N(3) N(1) 3.059(7) yes . 55501
N(3) N(4) 2.533(6) yes . 55501
N(3) C(5) 2.471(7) yes . 55501
N(3) C(7) 2.338(7) yes . 55501
N(3) C(22) 3.423(9) yes . 55501
N(4) Cu(1) 1.979(6) yes . 55501
N(4) F(2) 3.558(8) yes . 55501
N(4) O(2) 3.013(7) yes . 55501
N(4) O(10) 3.059(8) yes . 55501
N(4) N(2) 2.904(7) yes . 55501
N(4) N(3) 2.533(6) yes . 55501
N(4) C(6) 2.318(7) yes . 55501
N(4) C(8) 2.442(8) yes . 55501
N(4) C(20) 3.27(1) yes . 55501
C(1) F(4) 3.27(1) yes . 56503
C(1) F(5) 3.42(1) yes . 55501
C(1) O(1) 2.744(8) yes . 55501
C(1) O(6) 3.369(8) yes . 55501
C(1) N(1) 2.438(9) yes . 55501
C(1) C(3) 2.62(1) yes . 55501
C(1) C(4) 3.10(1) yes . 55501
C(1) C(23) 3.32(2) yes . 55501
C(2) Cu(1) 2.771(6) yes . 55501
C(2) F(5) 3.41(1) yes . 55501
C(2) O(1) 2.294(7) yes . 55501
C(2) O(2) 3.573(8) yes . 55501
C(2) O(6) 3.106(7) yes . 55501
C(2) N(2) 2.309(8) yes . 55501
C(2) C(4) 2.603(9) yes . 55501
C(2) C(21) 2.46(1) yes . 55501
C(2) C(23) 3.24(2) yes . 55501
C(3) Cu(1) 2.779(7) yes . 55501
C(3) F(5) 3.39(1) yes . 55501
C(3) O(2) 2.267(9) yes . 55501
C(3) N(1) 2.342(8) yes . 55501
C(3) C(1) 2.62(1) yes . 55501
C(3) C(21) 3.21(1) yes . 55501
C(3) C(23) 2.54(2) yes . 55501
C(4) F(5) 3.32(1) yes . 55501
C(4) F(9) 3.36(1) yes . 56503
C(4) O(2) 2.82(1) yes . 55501
C(4) O(10) 3.39(1) yes . 55402
C(4) N(2) 2.46(1) yes . 55501
C(4) C(1) 3.10(1) yes . 55501
C(4) C(2) 2.603(9) yes . 55501
C(4) C(21) 3.32(2) yes . 55501
C(4) C(23) 1.56(2) yes . 55501
C(5) F(2) 3.50(1) yes . 55501
C(5) F(7) 3.45(1) yes . 55507
C(5) O(3) 2.770(7) yes . 55501
C(5) O(5) 3.396(9) yes . 55501
C(5) O(7) 3.272(9) yes . 55507
C(5) N(3) 2.471(7) yes . 55501
C(5) C(7) 2.602(7) yes . 55501
C(5) C(8) 3.075(8) yes . 55501
C(6) Cu(1) 2.817(5) yes . 55501
C(6) F(2) 3.33(1) yes . 55501
C(6) O(3) 2.275(7) yes . 55501
C(6) O(5) 3.038(8) yes . 55501
C(6) O(7) 3.383(9) yes . 55507
C(6) N(4) 2.318(7) yes . 55501
C(6) C(8) 2.607(8) yes . 55501
C(6) C(20) 3.44(1) yes . 55501
C(7) Cu(1) 2.803(6) yes . 55501
C(7) F(2) 3.05(1) yes . 55501
C(7) O(4) 2.285(6) yes . 55501
C(7) N(3) 2.338(7) yes . 55501
C(7) C(5) 2.602(7) yes . 55501
C(7) C(20) 2.50(1) yes . 55501
C(8) F(2) 3.19(1) yes . 55501
C(8) F(8) 3.47(1) yes . 54501
C(8) O(4) 2.777(8) yes . 55501
C(8) N(4) 2.442(8) yes . 55501
C(8) C(5) 3.075(8) yes . 55501
C(8) C(6) 2.607(8) yes . 55501
C(9) F(9) 3.495(8) yes . 54501
C(9) O(5) 2.34(1) yes . 55501
C(9) C(10) 1.543(9) yes . 55501
C(9) C(11) 2.506(9) yes . 55501
C(10) Gd(1) 3.361(7) yes . 55501
C(10) F(1) 2.344(8) yes . 55501
C(10) F(2) 2.341(7) yes . 55501
C(10) F(3) 2.39(1) yes . 55501
C(10) O(6) 2.868(7) yes . 55501
C(10) O(8) 3.251(7) yes . 55501
C(10) C(9) 1.543(9) yes . 55501
C(10) C(12) 2.405(9) yes . 55501
C(11) F(1) 3.411(8) yes . 55501
C(11) F(2) 3.391(8) yes . 55501
C(11) F(3) 2.715(8) yes . 55501
C(11) F(4) 3.479(9) yes . 55501
C(11) F(5) 3.302(9) yes . 55501
C(11) F(6) 2.74(1) yes . 55501
C(11) F(11) 3.54(2) yes . 55501
C(11) O(5) 2.369(9) yes . 55501
C(11) O(6) 2.375(8) yes . 55501
C(11) O(8) 3.447(7) yes . 55501
C(11) C(9) 2.506(9) yes . 55501
C(11) C(13) 2.50(1) yes . 55501
C(12) Gd(1) 3.385(8) yes . 55501
C(12) F(4) 2.34(1) yes . 55501
C(12) F(5) 2.346(8) yes . 55501
C(12) F(6) 2.39(1) yes . 55501
C(12) O(5) 2.860(8) yes . 55501
C(12) O(8) 3.246(7) yes . 55501
C(12) C(10) 2.405(9) yes . 55501
C(12) C(17) 3.505(8) yes . 55501
C(13) O(6) 2.34(1) yes . 55501
C(13) C(11) 2.50(1) yes . 55501
C(14) F(2) 3.433(8) yes . 56501
C(14) F(10) 3.43(3) yes . 55506
C(14) O(7) 2.326(9) yes . 55501
C(14) C(16) 2.49(1) yes . 55501
C(15) Gd(1) 3.320(7) yes . 55501
C(15) F(7) 2.365(8) yes . 55501
C(15) F(8) 2.362(7) yes . 55501
C(15) F(9) 2.397(9) yes . 55501
C(15) O(6) 3.251(7) yes . 55501
C(15) O(8) 2.855(7) yes . 55501
C(15) C(17) 2.404(9) yes . 55501
C(16) F(4) 3.522(9) yes . 55501
C(16) F(7) 3.459(9) yes . 55501
C(16) F(8) 3.372(8) yes . 55501
C(16) F(9) 2.715(8) yes . 55501
C(16) F(10) 3.55(3) yes . 55501
C(16) F(11) 3.19(3) yes . 55501
C(16) F(12) 2.75(3) yes . 55501
C(16) F(13) 3.54(3) yes . 55501
C(16) F(14) 2.79(5) yes . 55501
C(16) F(15) 2.90(3) yes . 55501
C(16) O(6) 3.429(7) yes . 55501
C(16) O(7) 2.38(1) yes . 55501
C(16) O(8) 2.363(8) yes . 55501
C(16) C(14) 2.49(1) yes . 55501
C(16) C(18) 2.51(1) yes . 55501
C(17) Gd(1) 3.384(7) yes . 55501
C(17) F(10) 2.35(3) yes . 55501
C(17) F(11) 2.33(3) yes . 55501
C(17) F(12) 2.33(3) yes . 55501
C(17) F(13) 2.32(3) yes . 55501
C(17) F(14) 2.36(5) yes . 55501
C(17) F(15) 2.34(2) yes . 55501
C(17) O(6) 3.237(6) yes . 55501
C(17) O(7) 2.881(9) yes . 55501
C(17) C(12) 3.505(8) yes . 55501
C(17) C(15) 2.404(9) yes . 55501
C(17) C(18) 1.55(1) yes . 55501
C(18) O(8) 2.35(1) yes . 55501
C(18) C(16) 2.51(1) yes . 55501
C(18) C(17) 1.55(1) yes . 55501
C(19) Gd(1) 3.501(7) yes . 55501
C(19) F(12) 3.15(3) yes . 54506
C(19) F(15) 3.37(4) yes . 54506
C(19) O(1) 3.39(1) yes . 55507
C(19) O(5) 3.389(8) yes . 55501
C(19) O(8) 3.05(1) yes . 55501
C(19) C(23) 3.47(2) yes . 55508
C(20) F(7) 3.53(1) yes . 55507
C(20) F(11) 3.49(2) yes . 55404
C(20) F(12) 3.22(4) yes . 55404
C(20) F(14) 3.26(5) yes . 55404
C(20) F(15) 3.40(4) yes . 55404
C(20) O(4) 3.40(1) yes . 55501
C(20) N(4) 3.27(1) yes . 55501
C(20) C(6) 3.44(1) yes . 55501
C(20) C(7) 2.50(1) yes . 55501
C(21) N(1) 3.41(1) yes . 55501
C(21) C(2) 2.46(1) yes . 55501
C(21) C(3) 3.21(1) yes . 55501
C(21) C(4) 3.32(2) yes . 55501
C(21) C(23) 2.80(2) yes . 55501
C(21) C(23) 3.39(3) yes . 55402
C(22) Cu(1) 3.187(9) yes . 55501
C(22) O(2) 3.297(7) yes . 55402
C(22) O(9) 3.596(9) yes . 55507
C(22) N(3) 3.423(9) yes . 55501
C(23) O(10) 3.59(2) yes . 55402
C(23) N(2) 3.50(2) yes . 55501
C(23) C(1) 3.32(2) yes . 55501
C(23) C(2) 3.24(2) yes . 55501
C(23) C(3) 2.54(2) yes . 55501
C(23) C(4) 1.56(2) yes . 55501
C(23) C(19) 3.47(2) yes . 45408
C(23) C(21) 2.80(2) yes . 55501
C(23) C(21) 3.39(3) yes . 55402
Gd(1) Gd(1) 3.9855(4) yes . 55507
Gd(1) Cu(1) 4.7848(8) yes . 55507
Gd(1) Cu(1) 3.939(3) yes . .