#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:39:36 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179121 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/83/4308336.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4308336
loop_
_publ_author_name
'Nail M. Shavaleev'
'Gianluca Accorsi'
'Dalia Virgili'
'Zöe R. Bell'
'Theodore Lazarides'
'Giuseppe Calogero'
'Nicola Armaroli'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
Syntheses and Crystal Structures of Dinuclear Complexes Containing d-Block
and f-Block Luminophores. Sensitization of NIR Luminescence from Yb(III),
Nd(III), and Er(III) Centers by Energy Transfer from Re(I)- and
Pt(II)-Bipyrimidine Metal Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              61
_journal_page_last               72
_journal_paper_doi               10.1021/ic048875s
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C41 H17 F24 N4 Nd O7 Pt, C6 H6'
_chemical_formula_sum            'C47 H23 F24 N4 Nd O7 Pt'
_chemical_formula_weight         1551.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.358(12)
_cell_angle_beta                 95.917(12)
_cell_angle_gamma                103.55(2)
_cell_formula_units_Z            4
_cell_length_a                   11.325(3)
_cell_length_b                   20.578(3)
_cell_length_c                   23.106(4)
_cell_measurement_reflns_used    136
_cell_measurement_temperature    100(2)
_cell_volume                     5204.4(19)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1998)'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1998)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.5
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_sigmaI/netI    0.1151
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            58809
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.77
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.812
_exptl_absorpt_correction_T_max  0.56
_exptl_absorpt_correction_T_min  0.22
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.980
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2972
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.125
_refine_diff_density_min         -1.726
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1454
_refine_ls_number_reflns         23763
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0894
_refine_ls_R_factor_gt           0.0684
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0439P)²+22.5858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1549
_refine_ls_wR_factor_ref         0.1661
_reflns_number_gt                18309
_reflns_number_total             23763
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic048875ssi20040816_105512_5.cif
_cod_data_source_block           baths
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5204.3(19)
_cod_database_code               4308336
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Nd1 Nd 1.00365(4) 0.25945(2) 0.365192(19) 0.02251(10) Uani 1 1 d . . .
Pt1 Pt 0.83551(3) 0.499752(16) 0.477878(14) 0.02052(8) Uani 1 1 d . . .
F391 F 0.7222(7) 0.9094(4) 0.3428(3) 0.0602(19) Uani 1 1 d . . .
F392 F 0.9153(7) 0.9399(3) 0.3379(3) 0.0597(19) Uani 1 1 d . . .
F393 F 0.7962(9) 0.8825(4) 0.2681(3) 0.070(2) Uani 1 1 d . . .
F491 F 0.2760(10) 0.4904(5) 0.7552(5) 0.113(4) Uani 1 1 d . . .
F492 F 0.2436(6) 0.5728(5) 0.7078(3) 0.077(3) Uani 1 1 d . . .
F493 F 0.3774(6) 0.5882(4) 0.7812(3) 0.066(2) Uani 1 1 d . . .
F531 F 1.0595(8) 0.0515(4) 0.4456(4) 0.077(2) Uani 1 1 d . . .
F532 F 1.1908(9) 0.0264(4) 0.3959(4) 0.082(3) Uani 1 1 d . . .
F533 F 1.2461(9) 0.0940(4) 0.4713(4) 0.083(3) Uani 1 1 d . . .
F561 F 1.3004(9) 0.1469(4) 0.2297(4) 0.085(3) Uani 1 1 d . . .
F562 F 1.3108(7) 0.2537(4) 0.2246(3) 0.073(2) Uani 1 1 d . . .
F563 F 1.1407(8) 0.1832(5) 0.1990(3) 0.088(3) Uani 1 1 d . . .
F631 F 1.0729(11) 0.3390(6) 0.1681(5) 0.122(4) Uiso 1 1 d . . .
F632 F 0.8843(9) 0.3308(5) 0.1296(4) 0.087(3) Uiso 1 1 d . . .
F633 F 0.9878(12) 0.4102(7) 0.1819(5) 0.129(4) Uiso 1 1 d . . .
F661 F 0.5505(7) 0.2791(4) 0.2966(3) 0.059(2) Uani 1 1 d . . .
F662 F 0.5744(7) 0.1793(4) 0.3055(4) 0.069(2) Uani 1 1 d . . .
F663 F 0.5555(7) 0.2211(6) 0.2195(3) 0.102(4) Uani 1 1 d . . .
F731 F 0.6544(7) 0.1015(4) 0.4563(3) 0.064(2) Uani 1 1 d . . .
F732 F 0.8246(7) 0.0876(4) 0.4972(3) 0.066(2) Uani 1 1 d . . .
F733 F 0.7118(10) 0.0129(4) 0.4390(4) 0.088(3) Uani 1 1 d . . .
F761 F 0.7507(8) 0.0140(5) 0.2403(4) 0.082(3) Uiso 1 1 d . . .
F762 F 0.8079(12) 0.1015(7) 0.1989(6) 0.127(4) Uiso 1 1 d . . .
F763 F 0.9272(10) 0.0441(5) 0.2328(5) 0.101(3) Uiso 1 1 d . . .
O1 O 1.1891(6) 0.3219(3) 0.4286(3) 0.0263(14) Uani 1 1 d . . .
O51 O 1.1146(7) 0.1796(4) 0.4114(3) 0.0389(17) Uani 1 1 d . . .
O57 O 1.1754(6) 0.2490(4) 0.3142(3) 0.0398(17) Uani 1 1 d . . .
O61 O 0.9983(7) 0.3108(4) 0.2713(3) 0.0389(17) Uani 1 1 d . . .
O67 O 0.7957(6) 0.2644(4) 0.3290(3) 0.0339(16) Uani 1 1 d . . .
O71 O 0.8726(7) 0.1731(3) 0.4112(3) 0.0353(16) Uani 1 1 d . . .
O77 O 0.9301(6) 0.1654(3) 0.2970(3) 0.0281(14) Uani 1 1 d . . .
N11 N 0.9042(6) 0.3092(3) 0.4565(3) 0.0205(15) Uani 1 1 d . . .
N13 N 0.8352(6) 0.4006(3) 0.4933(3) 0.0208(15) Uani 1 1 d . . .
N21 N 1.0077(6) 0.3916(3) 0.3721(3) 0.0198(14) Uani 1 1 d . . .
N23 N 0.9326(6) 0.4791(4) 0.4127(3) 0.0207(15) Uani 1 1 d . . .
C12 C 0.8931(7) 0.3710(4) 0.4553(3) 0.0204(17) Uani 1 1 d . . .
C14 C 0.7866(8) 0.3631(5) 0.5360(4) 0.0262(19) Uani 1 1 d . . .
H14A H 0.7469 0.3815 0.5629 0.031 Uiso 1 1 calc R . .
C15 C 0.7946(9) 0.2983(5) 0.5402(4) 0.029(2) Uani 1 1 d . . .
H15A H 0.7606 0.2720 0.5697 0.035 Uiso 1 1 calc R . .
C16 C 0.8548(9) 0.2724(5) 0.4997(4) 0.029(2) Uani 1 1 d . . .
H16A H 0.8612 0.2282 0.5024 0.035 Uiso 1 1 calc R . .
C22 C 0.9475(8) 0.4158(4) 0.4106(3) 0.0230(18) Uani 1 1 d . . .
C25 C 1.0527(9) 0.5009(5) 0.3341(4) 0.029(2) Uani 1 1 d . . .
H25A H 1.0921 0.5305 0.3080 0.035 Uiso 1 1 calc R . .
C24 C 0.9850(9) 0.5214(5) 0.3734(4) 0.029(2) Uani 1 1 d . . .
H26A H 0.9752 0.5650 0.3729 0.035 Uiso 1 1 calc R . .
C26 C 1.0605(8) 0.4348(5) 0.3344(4) 0.027(2) Uani 1 1 d . . .
H26B H 1.1043 0.4200 0.3072 0.033 Uiso 1 1 calc R . .
C31 C 0.8431(8) 0.5909(4) 0.4550(4) 0.0238(18) Uani 1 1 d . . .
C32 C 0.8503(8) 0.6466(5) 0.4356(3) 0.0245(19) Uani 1 1 d . . .
C33 C 0.8512(8) 0.7086(4) 0.4092(4) 0.0226(18) Uani 1 1 d . . .
C34 C 0.8668(10) 0.7682(5) 0.4416(4) 0.035(2) Uani 1 1 d . . .
H34A H 0.8818 0.7688 0.4820 0.042 Uiso 1 1 calc R . .
C35 C 0.8599(9) 0.8266(5) 0.4130(4) 0.031(2) Uani 1 1 d . . .
H35A H 0.8725 0.8663 0.4346 0.038 Uiso 1 1 calc R . .
C36 C 0.8352(9) 0.8272(5) 0.3540(4) 0.028(2) Uani 1 1 d . . .
C37 C 0.8220(10) 0.7670(5) 0.3220(4) 0.036(2) Uani 1 1 d . . .
H37A H 0.8069 0.7667 0.2816 0.044 Uiso 1 1 calc R . .
C38 C 0.8307(9) 0.7104(5) 0.3483(4) 0.031(2) Uani 1 1 d . . .
H38A H 0.8231 0.6716 0.3260 0.037 Uiso 1 1 calc R . .
C39 C 0.8175(11) 0.8887(5) 0.3258(5) 0.040(3) Uani 1 1 d . . .
C41 C 0.7379(8) 0.5132(4) 0.5395(4) 0.0228(18) Uani 1 1 d . . .
C42 C 0.6750(8) 0.5212(4) 0.5772(4) 0.0241(18) Uani 1 1 d . . .
C43 C 0.5911(8) 0.5273(5) 0.6187(4) 0.0244(18) Uani 1 1 d . . .
C44 C 0.6220(8) 0.5758(4) 0.6641(4) 0.0250(19) Uani 1 1 d . . .
H44A H 0.6998 0.6041 0.6683 0.030 Uiso 1 1 calc R . .
C45 C 0.5417(8) 0.5827(5) 0.7019(4) 0.0257(19) Uani 1 1 d . . .
H45A H 0.5643 0.6156 0.7313 0.031 Uiso 1 1 calc R . .
C46 C 0.4251(8) 0.5403(5) 0.6966(4) 0.0255(19) Uani 1 1 d . . .
C47 C 0.3924(9) 0.4917(5) 0.6519(4) 0.033(2) Uani 1 1 d . . .
H47A H 0.3146 0.4634 0.6479 0.039 Uiso 1 1 calc R . .
C48 C 0.4749(10) 0.4853(5) 0.6135(4) 0.032(2) Uani 1 1 d . . .
H48A H 0.4524 0.4526 0.5838 0.039 Uiso 1 1 calc R . .
C49 C 0.3323(11) 0.5487(7) 0.7357(5) 0.049(3) Uani 1 1 d . . .
C52 C 1.1566(9) 0.1362(5) 0.3883(4) 0.034(2) Uani 1 1 d . . .
C53 C 1.1635(13) 0.0753(7) 0.4250(5) 0.053(3) Uani 1 1 d . . .
C54 C 1.1992(11) 0.1385(6) 0.3334(5) 0.047(3) Uani 1 1 d . . .
H54A H 1.2243 0.1021 0.3191 0.056 Uiso 1 1 calc R . .
C55 C 1.2041(10) 0.1958(6) 0.2995(5) 0.045(3) Uani 1 1 d . . .
C56 C 1.2411(12) 0.1944(7) 0.2389(6) 0.060(4) Uani 1 1 d . . .
C62 C 0.9194(11) 0.3081(5) 0.2296(4) 0.042(3) Uani 1 1 d . . .
C64 C 0.7938(11) 0.2836(5) 0.2278(4) 0.039(3) Uani 1 1 d . . .
H64A H 0.7443 0.2816 0.1928 0.047 Uiso 1 1 calc R . .
C65 C 0.7420(9) 0.2620(5) 0.2789(4) 0.034(2) Uani 1 1 d . . .
C66 C 0.6044(12) 0.2343(8) 0.2744(5) 0.060(4) Uani 1 1 d . . .
C72 C 0.8161(10) 0.1136(5) 0.3986(5) 0.035(2) Uani 1 1 d . . .
C73 C 0.7511(12) 0.0775(5) 0.4491(5) 0.047(3) Uani 1 1 d . . .
C74 C 0.8049(10) 0.0811(5) 0.3451(4) 0.037(2) Uani 1 1 d . . .
H74A H 0.7579 0.0374 0.3405 0.044 Uiso 1 1 calc R . .
C75 C 0.8599(9) 0.1103(5) 0.2986(4) 0.031(2) Uani 1 1 d . . .
C76 C 0.8409(13) 0.0717(5) 0.2399(6) 0.057(4) Uani 1 1 d . . .
Nd2 Nd 0.32106(4) 0.72605(2) 0.097319(18) 0.01771(9) Uani 1 1 d . . .
Pt2 Pt 0.60251(3) 0.971556(16) -0.033878(14) 0.01905(7) Uani 1 1 d . . .
F53B F -0.0755(6) 0.6427(3) -0.0385(3) 0.0528(18) Uani 1 1 d . . .
F53C F -0.1342(7) 0.5534(4) 0.0075(3) 0.073(2) Uani 1 1 d . . .
F53A F 0.0278(7) 0.5693(4) -0.0338(3) 0.061(2) Uani 1 1 d . . .
F56A F 0.0949(7) 0.6444(4) 0.2575(3) 0.065(2) Uani 1 1 d . . .
F56C F -0.0762(8) 0.6572(6) 0.2217(3) 0.089(3) Uani 1 1 d . . .
F56B F -0.0354(9) 0.5636(5) 0.2131(3) 0.089(3) Uani 1 1 d . . .
F63C F 0.5409(6) 0.7635(3) 0.2988(3) 0.0565(19) Uani 1 1 d . . .
F63A F 0.3704(8) 0.7150(4) 0.3255(3) 0.075(2) Uani 1 1 d . . .
F63B F 0.5193(9) 0.6630(4) 0.3234(3) 0.087(3) Uani 1 1 d . . .
F66A F 0.2143(11) 0.4816(4) 0.1224(3) 0.103(4) Uani 1 1 d . . .
F66C F 0.3944(10) 0.4862(4) 0.1663(5) 0.102(3) Uani 1 1 d . . .
F66B F 0.2456(9) 0.4802(4) 0.2139(3) 0.082(3) Uani 1 1 d . . .
F73B F 0.3820(7) 0.6400(4) -0.1004(3) 0.068(2) Uani 1 1 d . . .
F73C F 0.2730(8) 0.5550(4) -0.0668(4) 0.088(3) Uani 1 1 d . . .
F73A F 0.4615(9) 0.5602(5) -0.0740(4) 0.092(3) Uani 1 1 d . . .
F76C F 0.6753(9) 0.6513(7) 0.1763(5) 0.121(4) Uani 1 1 d . . .
F76B F 0.7081(7) 0.5921(4) 0.1110(5) 0.098(3) Uani 1 1 d . . .
F76A F 0.7761(6) 0.6977(4) 0.1098(4) 0.076(3) Uani 1 1 d . . .
F131 F 0.5815(7) 1.0239(4) -0.4382(3) 0.0561(19) Uani 1 1 d . . .
F132 F 0.4897(8) 1.1018(4) -0.4267(3) 0.068(2) Uani 1 1 d . . .
F133 F 0.6825(8) 1.1227(4) -0.4106(3) 0.082(3) Uani 1 1 d . . .
F141 F 1.3471(6) 1.2884(3) 0.0838(4) 0.063(2) Uani 1 1 d . . .
F142 F 1.4004(5) 1.1982(4) 0.1102(3) 0.0506(17) Uani 1 1 d . . .
F143 F 1.4079(5) 1.2297(3) 0.0220(3) 0.0449(16) Uani 1 1 d . . .
O2 O 0.2465(6) 0.8295(3) 0.1192(3) 0.0297(14) Uani 1 1 d . . .
O151 O 0.1252(5) 0.6833(3) 0.0400(3) 0.0271(14) Uani 1 1 d . . .
O157 O 0.1510(6) 0.7003(3) 0.1597(3) 0.0295(14) Uani 1 1 d . . .
O161 O 0.4015(6) 0.7285(3) 0.1993(3) 0.0265(14) Uani 1 1 d . . .
O167 O 0.2950(5) 0.6113(3) 0.1241(3) 0.0268(14) Uani 1 1 d . . .
O171 O 0.3504(6) 0.6675(3) 0.0105(3) 0.0265(14) Uani 1 1 d . . .
O177 O 0.5226(5) 0.7029(3) 0.1059(3) 0.0280(14) Uani 1 1 d . . .
N111 N 0.3345(6) 0.8031(4) 0.0038(3) 0.0224(15) Uani 1 1 d . . .
N113 N 0.4475(6) 0.8947(3) -0.0456(3) 0.0194(14) Uani 1 1 d . . .
N121 N 0.5073(6) 0.8362(3) 0.0986(3) 0.0181(14) Uani 1 1 d . . .
N123 N 0.6143(6) 0.9261(4) 0.0457(3) 0.0218(15) Uani 1 1 d . . .
C112 C 0.4272(7) 0.8565(4) 0.0012(3) 0.0175(16) Uani 1 1 d . . .
C114 C 0.3666(8) 0.8783(5) -0.0932(3) 0.0243(19) Uani 1 1 d . . .
H11A H 0.3784 0.9033 -0.1264 0.029 Uiso 1 1 calc R . .
C115 C 0.2666(8) 0.8253(5) -0.0936(4) 0.029(2) Uani 1 1 d . . .
H11B H 0.2086 0.8151 -0.1259 0.035 Uiso 1 1 calc R . .
C116 C 0.2556(8) 0.7875(4) -0.0439(4) 0.0252(19) Uani 1 1 d . . .
H11C H 0.1909 0.7501 -0.0440 0.030 Uiso 1 1 calc R . .
C122 C 0.5193(8) 0.8734(4) 0.0514(3) 0.0200(17) Uani 1 1 d . . .
C124 C 0.7029(8) 0.9421(4) 0.0899(4) 0.0251(19) Uani 1 1 d . . .
H12A H 0.7687 0.9783 0.0870 0.030 Uiso 1 1 calc R . .
C125 C 0.6974(8) 0.9053(5) 0.1395(4) 0.028(2) Uani 1 1 d . . .
H12B H 0.7590 0.9159 0.1703 0.033 Uiso 1 1 calc R . .
C126 C 0.5979(8) 0.8521(4) 0.1422(3) 0.0231(18) Uani 1 1 d . . .
H12C H 0.5935 0.8266 0.1754 0.028 Uiso 1 1 calc R . .
C131 C 0.5853(8) 1.0052(4) -0.1119(4) 0.0227(18) Uani 1 1 d . . .
C132 C 0.5738(8) 1.0204(4) -0.1626(4) 0.0267(19) Uani 1 1 d . . .
C133 C 0.5671(9) 1.0353(4) -0.2232(4) 0.0272(19) Uani 1 1 d . . .
C134 C 0.5833(10) 1.0982(5) -0.2438(4) 0.036(2) Uani 1 1 d . . .
H13A H 0.5918 1.1337 -0.2174 0.043 Uiso 1 1 calc R . .
C135 C 0.5875(10) 1.1118(5) -0.3020(5) 0.040(3) Uani 1 1 d . . .
H13B H 0.5987 1.1555 -0.3144 0.048 Uiso 1 1 calc R . .
C136 C 0.5750(10) 1.0599(5) -0.3415(4) 0.036(2) Uani 1 1 d . . .
C137 C 0.5512(10) 0.9955(6) -0.3232(4) 0.040(2) Uani 1 1 d . . .
H13C H 0.5364 0.9602 -0.3504 0.048 Uiso 1 1 calc R . .
C138 C 0.5489(9) 0.9822(5) -0.2646(4) 0.035(2) Uani 1 1 d . . .
H13D H 0.5354 0.9383 -0.2525 0.042 Uiso 1 1 calc R . .
C139 C 0.5801(11) 1.0757(6) -0.4044(5) 0.047(3) Uani 1 1 d . . .
C141 C 0.7556(7) 1.0381(4) -0.0160(4) 0.0206(17) Uani 1 1 d . . .
C142 C 0.8543(9) 1.0756(4) -0.0021(4) 0.029(2) Uani 1 1 d . . .
C143 C 0.9756(8) 1.1146(5) 0.0157(4) 0.028(2) Uani 1 1 d . . .
C144 C 1.0591(8) 1.0847(5) 0.0493(4) 0.028(2) Uani 1 1 d . . .
H14B H 1.0350 1.0404 0.0599 0.034 Uiso 1 1 calc R . .
C145 C 1.1745(9) 1.1208(5) 0.0662(4) 0.031(2) Uani 1 1 d . . .
H14C H 1.2285 1.1009 0.0886 0.037 Uiso 1 1 calc R . .
C146 C 1.2122(8) 1.1851(5) 0.0508(4) 0.029(2) Uani 1 1 d . . .
C147 C 1.1337(9) 1.2156(5) 0.0182(5) 0.043(3) Uani 1 1 d . . .
H14D H 1.1598 1.2597 0.0076 0.051 Uiso 1 1 calc R . .
C148 C 1.0154(9) 1.1801(5) 0.0013(5) 0.038(2) Uani 1 1 d . . .
H14E H 0.9618 1.2010 -0.0203 0.046 Uiso 1 1 calc R . .
C149 C 1.3411(8) 1.2252(6) 0.0675(5) 0.038(3) Uani 1 1 d . . .
C152 C 0.0399(8) 0.6356(4) 0.0500(4) 0.0233(18) Uani 1 1 d . . .
C153 C -0.0381(9) 0.5995(5) -0.0042(5) 0.039(2) Uani 1 1 d . . .
C154 C 0.0063(8) 0.6148(5) 0.1047(4) 0.032(2) Uani 1 1 d . . .
H15B H -0.0559 0.5767 0.1072 0.038 Uiso 1 1 calc R . .
C155 C 0.0638(9) 0.6499(5) 0.1552(4) 0.033(2) Uani 1 1 d . . .
C156 C 0.0109(10) 0.6287(6) 0.2123(5) 0.041(3) Uani 1 1 d . . .
C162 C 0.4090(10) 0.6820(5) 0.2340(4) 0.037(2) Uani 1 1 d . . .
C163 C 0.4615(12) 0.7055(6) 0.2952(5) 0.047(3) Uani 1 1 d . . .
C164 C 0.3763(11) 0.6128(5) 0.2237(4) 0.041(3) Uani 1 1 d . . .
H16B H 0.3917 0.5852 0.2538 0.049 Uiso 1 1 calc R . .
C165 C 0.3212(9) 0.5835(5) 0.1700(4) 0.032(2) Uani 1 1 d . . .
C166 C 0.2889(13) 0.5064(5) 0.1669(5) 0.053(3) Uani 1 1 d . . .
C172 C 0.4178(11) 0.6294(6) -0.0001(5) 0.046(3) Uani 1 1 d . . .
C173 C 0.3839(11) 0.5949(6) -0.0609(6) 0.051(3) Uani 1 1 d . . .
C174 C 0.5181(10) 0.6197(6) 0.0351(6) 0.048(3) Uani 1 1 d . . .
H17A H 0.5562 0.5868 0.0243 0.058 Uiso 1 1 calc R . .
C175 C 0.5633(10) 0.6567(6) 0.0850(5) 0.043(3) Uani 1 1 d . . .
C176 C 0.6824(10) 0.6482(6) 0.1188(6) 0.052(3) Uani 1 1 d . . .
C301 C 0.009(2) -0.1745(12) 1.1986(10) 0.111(7) Uiso 1 1 d . . .
H30A H -0.0179 -0.2202 1.2032 0.133 Uiso 1 1 calc R . .
C302 C -0.0182(18) -0.1545(11) 1.1545(9) 0.100(6) Uiso 1 1 d . . .
H30B H -0.0683 -0.1841 1.1266 0.120 Uiso 1 1 calc R . .
C303 C 0.0197(13) -0.0886(8) 1.1411(7) 0.067(4) Uani 1 1 d . . .
H30C H -0.0024 -0.0749 1.1041 0.080 Uiso 1 1 calc R . .
C304 C 0.0884(14) -0.0435(8) 1.1806(8) 0.081(5) Uani 1 1 d . . .
H30D H 0.1133 0.0014 1.1719 0.097 Uiso 1 1 calc R . .
C305 C 0.1227(16) -0.0681(9) 1.2382(8) 0.086(5) Uiso 1 1 d . . .
H305 H 0.1697 -0.0407 1.2684 0.103 Uiso 1 1 calc R . .
C306 C 0.0748(17) -0.1404(10) 1.2431(9) 0.094(6) Uiso 1 1 d . . .
H30G H 0.0911 -0.1614 1.2776 0.112 Uiso 1 1 calc R . .
C401 C 1.5418(14) 0.2626(7) 0.4354(5) 0.065(4) Uani 1 1 d . . .
H40A H 1.5743 0.2453 0.4050 0.078 Uiso 1 1 calc R . .
C402 C 1.4946(12) 0.2218(6) 0.4790(6) 0.053(3) Uani 1 1 d . . .
H40B H 1.4949 0.1767 0.4775 0.064 Uiso 1 1 calc R . .
C403 C 1.4474(11) 0.2468(6) 0.5244(5) 0.046(3) Uani 1 1 d . . .
H40C H 1.4147 0.2191 0.5533 0.055 Uiso 1 1 calc R . .
C404 C 1.4502(9) 0.3149(5) 0.5256(5) 0.037(2) Uani 1 1 d . . .
H40D H 1.4209 0.3327 0.5568 0.044 Uiso 1 1 calc R . .
C405 C 1.4941(9) 0.3567(5) 0.4829(4) 0.035(2) Uani 1 1 d . . .
H40E H 1.4931 0.4017 0.4844 0.042 Uiso 1 1 calc R . .
C406 C 1.5395(11) 0.3304(6) 0.4380(5) 0.046(3) Uani 1 1 d . . .
H40F H 1.5695 0.3581 0.4085 0.055 Uiso 1 1 calc R . .
C63 C 0.9592 0.3450 0.1747 0.050 Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O71 Nd1 O61 135.8(2) . . ?
O71 Nd1 O77 71.4(2) . . ?
O61 Nd1 O77 76.3(2) . . ?
O71 Nd1 O57 126.6(2) . . ?
O61 Nd1 O57 68.4(3) . . ?
O77 Nd1 O57 73.2(2) . . ?
O71 Nd1 O67 73.9(2) . . ?
O61 Nd1 O67 68.9(2) . . ?
O77 Nd1 O67 74.6(2) . . ?
O57 Nd1 O67 131.2(2) . . ?
O71 Nd1 O51 68.0(3) . . ?
O61 Nd1 O51 134.6(3) . . ?
O77 Nd1 O51 80.5(2) . . ?
O57 Nd1 O51 67.7(3) . . ?
O67 Nd1 O51 139.5(2) . . ?
O71 Nd1 O1 115.1(2) . . ?
O61 Nd1 O1 108.9(2) . . ?
O77 Nd1 O1 143.0(2) . . ?
O57 Nd1 O1 75.0(2) . . ?
O67 Nd1 O1 142.2(2) . . ?
O51 Nd1 O1 70.1(2) . . ?
O71 Nd1 N21 125.9(2) . . ?
O61 Nd1 N21 66.7(2) . . ?
O77 Nd1 N21 139.0(2) . . ?
O57 Nd1 N21 107.0(2) . . ?
O67 Nd1 N21 76.1(2) . . ?
O51 Nd1 N21 138.9(2) . . ?
O1 Nd1 N21 69.3(2) . . ?
O71 Nd1 N11 68.3(2) . . ?
O61 Nd1 N11 120.0(2) . . ?
O77 Nd1 N11 133.5(2) . . ?
O57 Nd1 N11 152.0(2) . . ?
O67 Nd1 N11 72.9(2) . . ?
O51 Nd1 N11 104.4(2) . . ?
O1 Nd1 N11 77.1(2) . . ?
N21 Nd1 N11 60.3(2) . . ?
C31 Pt1 C41 89.1(4) . . ?
C31 Pt1 N23 94.2(3) . . ?
C41 Pt1 N23 176.3(3) . . ?
C31 Pt1 N13 173.3(3) . . ?
C41 Pt1 N13 97.5(3) . . ?
N23 Pt1 N13 79.3(3) . . ?
C52 O51 Nd1 129.3(6) . . ?
C55 O57 Nd1 127.8(7) . . ?
C62 O61 Nd1 134.7(7) . . ?
C65 O67 Nd1 132.4(7) . . ?
C72 O71 Nd1 136.3(7) . . ?
C75 O77 Nd1 134.5(6) . . ?
C12 N11 C16 116.1(7) . . ?
C12 N11 Nd1 118.9(5) . . ?
C16 N11 Nd1 124.7(5) . . ?
C14 N13 C12 117.1(7) . . ?
C14 N13 Pt1 127.7(6) . . ?
C12 N13 Pt1 115.2(6) . . ?
C26 N21 C22 116.1(7) . . ?
C26 N21 Nd1 122.2(5) . . ?
C22 N21 Nd1 121.4(6) . . ?
C24 N23 C22 117.1(7) . . ?
C24 N23 Pt1 127.7(6) . . ?
C22 N23 Pt1 115.2(6) . . ?
N11 C12 N13 125.9(8) . . ?
N11 C12 C22 120.1(7) . . ?
N13 C12 C22 114.0(7) . . ?
N13 C14 C15 120.5(8) . . ?
N13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
C14 C15 C16 118.4(9) . . ?
C14 C15 H15A 120.8 . . ?
C16 C15 H15A 120.8 . . ?
N11 C16 C15 122.0(8) . . ?
N11 C16 H16A 119.0 . . ?
C15 C16 H16A 119.0 . . ?
N21 C22 N23 125.5(8) . . ?
N21 C22 C12 118.3(8) . . ?
N23 C22 C12 116.3(7) . . ?
C24 C25 C26 117.9(9) . . ?
C24 C25 H25A 121.0 . . ?
C26 C25 H25A 121.0 . . ?
N23 C24 C25 120.8(9) . . ?
N23 C24 H26A 119.6 . . ?
C25 C24 H26A 119.6 . . ?
N21 C26 C25 122.5(8) . . ?
N21 C26 H26B 118.7 . . ?
C25 C26 H26B 118.7 . . ?
C32 C31 Pt1 174.0(8) . . ?
C31 C32 C33 175.1(9) . . ?
C34 C33 C38 118.2(8) . . ?
C34 C33 C32 122.5(8) . . ?
C38 C33 C32 119.2(8) . . ?
C35 C34 C33 119.4(8) . . ?
C35 C34 H34A 120.3 . . ?
C33 C34 H34A 120.3 . . ?
C36 C35 C34 121.8(8) . . ?
C36 C35 H35A 119.1 . . ?
C34 C35 H35A 119.1 . . ?
C35 C36 C37 118.0(9) . . ?
C35 C36 C39 120.1(9) . . ?
C37 C36 C39 121.9(9) . . ?
C38 C37 C36 121.4(9) . . ?
C38 C37 H37A 119.3 . . ?
C36 C37 H37A 119.3 . . ?
C37 C38 C33 121.1(9) . . ?
C37 C38 H38A 119.5 . . ?
C33 C38 H38A 119.5 . . ?
F393 C39 F392 106.7(9) . . ?
F393 C39 F391 105.0(10) . . ?
F392 C39 F391 106.0(9) . . ?
F393 C39 C36 113.7(8) . . ?
F392 C39 C36 111.8(9) . . ?
F391 C39 C36 113.0(9) . . ?
C42 C41 Pt1 178.7(8) . . ?
C41 C42 C43 174.9(10) . . ?
C48 C43 C44 118.2(8) . . ?
C48 C43 C42 119.9(8) . . ?
C44 C43 C42 122.0(8) . . ?
C45 C44 C43 121.8(9) . . ?
C45 C44 H44A 119.1 . . ?
C43 C44 H44A 119.1 . . ?
C44 C45 C46 119.9(8) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C47 C46 C45 119.3(8) . . ?
C47 C46 C49 119.3(9) . . ?
C45 C46 C49 121.3(9) . . ?
C48 C47 C46 120.3(9) . . ?
C48 C47 H47A 119.9 . . ?
C46 C47 H47A 119.9 . . ?
C47 C48 C43 120.6(9) . . ?
C47 C48 H48A 119.7 . . ?
C43 C48 H48A 119.7 . . ?
F493 C49 F491 107.1(11) . . ?
F493 C49 F492 107.1(10) . . ?
F491 C49 F492 104.9(11) . . ?
F493 C49 C46 113.9(10) . . ?
F491 C49 C46 111.3(10) . . ?
F492 C49 C46 112.0(9) . . ?
O51 C52 C54 126.6(10) . . ?
O51 C52 C53 115.5(9) . . ?
C54 C52 C53 117.9(9) . . ?
F531 C53 F532 107.9(12) . . ?
F531 C53 F533 106.0(11) . . ?
F532 C53 F533 109.3(10) . . ?
F531 C53 C52 110.4(10) . . ?
F532 C53 C52 113.4(10) . . ?
F533 C53 C52 109.6(11) . . ?
C52 C54 C55 120.3(10) . . ?
C52 C54 H54A 119.8 . . ?
C55 C54 H54A 119.8 . . ?
O57 C55 C54 126.2(11) . . ?
O57 C55 C56 115.0(12) . . ?
C54 C55 C56 118.8(11) . . ?
F561 C56 F562 108.2(10) . . ?
F561 C56 F563 107.0(11) . . ?
F562 C56 F563 104.6(13) . . ?
F561 C56 C55 113.6(13) . . ?
F562 C56 C55 112.7(10) . . ?
F563 C56 C55 110.3(10) . . ?
O61 C62 C64 128.4(10) . . ?
O61 C62 C63 117.4(9) . . ?
C64 C62 C63 113.5(8) . . ?
C62 C64 C65 119.8(9) . . ?
C62 C64 H64A 120.1 . . ?
C65 C64 H64A 120.1 . . ?
O67 C65 C64 127.3(10) . . ?
O67 C65 C66 115.0(10) . . ?
C64 C65 C66 117.8(9) . . ?
F663 C66 F662 109.6(13) . . ?
F663 C66 F661 107.1(11) . . ?
F662 C66 F661 105.9(11) . . ?
F663 C66 C65 112.1(11) . . ?
F662 C66 C65 111.8(11) . . ?
F661 C66 C65 110.2(11) . . ?
O71 C72 C74 126.3(10) . . ?
O71 C72 C73 113.7(9) . . ?
C74 C72 C73 120.0(9) . . ?
F732 C73 F733 108.5(11) . . ?
F732 C73 F731 109.0(10) . . ?
F733 C73 F731 107.2(11) . . ?
F732 C73 C72 110.3(10) . . ?
F733 C73 C72 112.7(9) . . ?
F731 C73 C72 109.0(9) . . ?
C75 C74 C72 122.9(10) . . ?
C75 C74 H74A 118.5 . . ?
C72 C74 H74A 118.5 . . ?
O77 C75 C74 128.1(9) . . ?
O77 C75 C76 111.7(9) . . ?
C74 C75 C76 120.1(10) . . ?
F762 C76 F763 115.8(16) . . ?
F762 C76 F761 104.6(11) . . ?
F763 C76 F761 97.0(9) . . ?
F762 C76 C75 114.4(11) . . ?
F763 C76 C75 112.5(10) . . ?
F761 C76 C75 110.7(12) . . ?
O167 Nd2 O171 75.1(2) . . ?
O167 Nd2 O177 73.4(2) . . ?
O171 Nd2 O177 69.3(2) . . ?
O167 Nd2 O161 73.9(2) . . ?
O171 Nd2 O161 134.1(2) . . ?
O177 Nd2 O161 69.9(2) . . ?
O167 Nd2 O151 83.0(2) . . ?
O171 Nd2 O151 70.3(2) . . ?
O177 Nd2 O151 137.1(2) . . ?
O161 Nd2 O151 136.6(2) . . ?
O167 Nd2 O157 72.5(2) . . ?
O171 Nd2 O157 129.6(2) . . ?
O177 Nd2 O157 132.6(2) . . ?
O161 Nd2 O157 69.8(2) . . ?
O151 Nd2 O157 68.4(2) . . ?
O167 Nd2 O2 140.8(2) . . ?
O171 Nd2 O2 136.1(2) . . ?
O177 Nd2 O2 132.8(2) . . ?
O161 Nd2 O2 88.0(2) . . ?
O151 Nd2 O2 87.4(2) . . ?
O157 Nd2 O2 68.7(2) . . ?
O167 Nd2 N111 141.5(2) . . ?
O171 Nd2 N111 67.4(2) . . ?
O177 Nd2 N111 100.3(2) . . ?
O161 Nd2 N111 140.9(2) . . ?
O151 Nd2 N111 76.6(2) . . ?
O157 Nd2 N111 126.7(2) . . ?
O2 Nd2 N111 70.9(2) . . ?
O167 Nd2 N121 137.2(2) . . ?
O171 Nd2 N121 100.6(2) . . ?
O177 Nd2 N121 65.7(2) . . ?
O161 Nd2 N121 80.8(2) . . ?
O151 Nd2 N121 136.6(2) . . ?
O157 Nd2 N121 129.3(2) . . ?
O2 Nd2 N121 70.1(2) . . ?
N111 Nd2 N121 61.3(2) . . ?
C131 Pt2 C141 90.1(4) . . ?
C131 Pt2 N113 95.7(3) . . ?
C141 Pt2 N113 173.5(3) . . ?
C131 Pt2 N123 174.3(3) . . ?
C141 Pt2 N123 94.3(3) . . ?
N113 Pt2 N123 79.7(3) . . ?
C152 O151 Nd2 128.9(5) . . ?
C155 O157 Nd2 126.6(6) . . ?
C162 O161 Nd2 131.5(6) . . ?
C165 O167 Nd2 133.7(6) . . ?
C172 O171 Nd2 134.1(7) . . ?
C175 O177 Nd2 132.6(7) . . ?
C116 N111 C112 116.4(7) . . ?
C116 N111 Nd2 122.3(6) . . ?
C112 N111 Nd2 121.2(5) . . ?
C114 N113 C112 117.2(7) . . ?
C114 N113 Pt2 128.5(6) . . ?
C112 N113 Pt2 114.3(5) . . ?
C122 N121 C126 116.7(7) . . ?
C122 N121 Nd2 119.6(5) . . ?
C126 N121 Nd2 123.3(5) . . ?
C124 N123 C122 118.3(7) . . ?
C124 N123 Pt2 128.1(6) . . ?
C122 N123 Pt2 113.6(5) . . ?
N111 C112 N113 125.5(7) . . ?
N111 C112 C122 118.3(7) . . ?
N113 C112 C122 116.1(7) . . ?
N113 C114 C115 121.1(8) . . ?
N113 C114 H11A 119.4 . . ?
C115 C114 H11A 119.4 . . ?
C114 C115 C116 117.5(8) . . ?
C114 C115 H11B 121.3 . . ?
C116 C115 H11B 121.3 . . ?
N111 C116 C115 122.3(8) . . ?
N111 C116 H11C 118.8 . . ?
C115 C116 H11C 118.8 . . ?
N121 C122 N123 124.4(7) . . ?
N121 C122 C112 119.4(7) . . ?
N123 C122 C112 116.2(7) . . ?
N123 C124 C125 120.4(8) . . ?
N123 C124 H12A 119.8 . . ?
C125 C124 H12A 119.8 . . ?
C124 C125 C126 118.2(8) . . ?
C124 C125 H12B 120.9 . . ?
C126 C125 H12B 120.9 . . ?
N121 C126 C125 122.0(8) . . ?
N121 C126 H12C 119.0 . . ?
C125 C126 H12C 119.0 . . ?
C132 C131 Pt2 174.1(8) . . ?
C131 C132 C133 175.4(10) . . ?
C134 C133 C138 117.0(9) . . ?
C134 C133 C132 124.2(9) . . ?
C138 C133 C132 118.7(8) . . ?
C133 C134 C135 123.1(10) . . ?
C133 C134 H13A 118.4 . . ?
C135 C134 H13A 118.4 . . ?
C136 C135 C134 119.1(10) . . ?
C136 C135 H13B 120.4 . . ?
C134 C135 H13B 120.4 . . ?
C137 C136 C135 119.8(9) . . ?
C137 C136 C139 121.8(10) . . ?
C135 C136 C139 118.3(10) . . ?
C136 C137 C138 120.7(10) . . ?
C136 C137 H13C 119.7 . . ?
C138 C137 H13C 119.7 . . ?
C137 C138 C133 120.1(10) . . ?
C137 C138 H13D 120.0 . . ?
C133 C138 H13D 120.0 . . ?
F131 C139 F132 107.4(10) . . ?
F131 C139 F133 106.8(10) . . ?
F132 C139 F133 104.9(10) . . ?
F131 C139 C136 113.9(10) . . ?
F132 C139 C136 113.5(10) . . ?
F133 C139 C136 109.6(10) . . ?
C142 C141 Pt2 174.5(8) . . ?
C141 C142 C143 174.6(10) . . ?
C148 C143 C144 117.8(9) . . ?
C148 C143 C142 122.9(9) . . ?
C144 C143 C142 119.3(8) . . ?
C145 C144 C143 120.0(9) . . ?
C145 C144 H14B 120.0 . . ?
C143 C144 H14B 120.0 . . ?
C146 C145 C144 121.2(10) . . ?
C146 C145 H14C 119.4 . . ?
C144 C145 H14C 119.4 . . ?
C145 C146 C147 120.4(9) . . ?
C145 C146 C149 121.8(9) . . ?
C147 C146 C149 117.8(9) . . ?
C146 C147 C148 119.5(10) . . ?
C146 C147 H14D 120.3 . . ?
C148 C147 H14D 120.3 . . ?
C143 C148 C147 121.2(10) . . ?
C143 C148 H14E 119.4 . . ?
C147 C148 H14E 119.4 . . ?
F142 C149 F141 107.7(8) . . ?
F142 C149 F143 106.3(8) . . ?
F141 C149 F143 105.1(9) . . ?
F142 C149 C146 113.0(9) . . ?
F141 C149 C146 113.2(8) . . ?
F143 C149 C146 111.0(8) . . ?
O151 C152 C154 126.6(8) . . ?
O151 C152 C153 115.0(8) . . ?
C154 C152 C153 118.3(8) . . ?
F53B C153 F53A 107.4(9) . . ?
F53B C153 F53C 108.5(9) . . ?
F53A C153 F53C 106.8(10) . . ?
F53B C153 C152 110.2(9) . . ?
F53A C153 C152 109.9(9) . . ?
F53C C153 C152 113.9(9) . . ?
C155 C154 C152 121.4(9) . . ?
C155 C154 H15B 119.3 . . ?
C152 C154 H15B 119.3 . . ?
O157 C155 C154 127.4(9) . . ?
O157 C155 C156 114.7(9) . . ?
C154 C155 C156 117.7(9) . . ?
F56C C156 F56A 106.9(10) . . ?
F56C C156 F56B 106.6(10) . . ?
F56A C156 F56B 107.0(10) . . ?
F56C C156 C155 112.2(9) . . ?
F56A C156 C155 111.6(9) . . ?
F56B C156 C155 112.2(10) . . ?
O161 C162 C164 129.4(9) . . ?
O161 C162 C163 114.6(9) . . ?
C164 C162 C163 116.0(10) . . ?
F63C C163 F63B 105.5(10) . . ?
F63C C163 F63A 104.6(9) . . ?
F63B C163 F63A 109.4(11) . . ?
F63C C163 C162 114.3(10) . . ?
F63B C163 C162 113.6(10) . . ?
F63A C163 C162 109.0(10) . . ?
C165 C164 C162 122.6(10) . . ?
C165 C164 H16B 118.7 . . ?
C162 C164 H16B 118.7 . . ?
O167 C165 C164 128.8(10) . . ?
O167 C165 C166 115.7(8) . . ?
C164 C165 C166 115.5(9) . . ?
F66A C166 F66B 109.1(11) . . ?
F66A C166 F66C 110.2(13) . . ?
F66B C166 F66C 103.2(10) . . ?
F66A C166 C165 113.2(9) . . ?
F66B C166 C165 112.7(10) . . ?
F66C C166 C165 107.9(10) . . ?
O171 C172 C174 126.8(11) . . ?
O171 C172 C173 113.0(11) . . ?
C174 C172 C173 120.1(10) . . ?
F73B C173 F73A 107.7(11) . . ?
F73B C173 F73C 105.6(12) . . ?
F73A C173 F73C 108.4(10) . . ?
F73B C173 C172 109.6(9) . . ?
F73A C173 C172 112.8(12) . . ?
F73C C173 C172 112.4(10) . . ?
C175 C174 C172 122.3(10) . . ?
C175 C174 H17A 118.8 . . ?
C172 C174 H17A 118.8 . . ?
O177 C175 C174 126.9(11) . . ?
O177 C175 C176 113.2(10) . . ?
C174 C175 C176 119.6(10) . . ?
F76B C176 F76A 110.4(10) . . ?
F76B C176 F76C 103.2(13) . . ?
F76A C176 F76C 104.7(12) . . ?
F76B C176 C175 115.5(11) . . ?
F76A C176 C175 111.7(11) . . ?
F76C C176 C175 110.4(10) . . ?
C302 C301 C306 127(3) . . ?
C302 C301 H30A 116.4 . . ?
C306 C301 H30A 116.4 . . ?
C301 C302 C303 122(2) . . ?
C301 C302 H30B 118.8 . . ?
C303 C302 H30B 118.8 . . ?
C304 C303 C302 121.1(18) . . ?
C304 C303 H30C 119.5 . . ?
C302 C303 H30C 119.5 . . ?
C303 C304 C305 117.2(15) . . ?
C303 C304 H30D 121.4 . . ?
C305 C304 H30D 121.4 . . ?
C306 C305 C304 113.1(16) . . ?
C306 C305 H305 123.5 . . ?
C304 C305 H305 123.5 . . ?
C301 C306 C305 119(2) . . ?
C301 C306 H30G 120.5 . . ?
C305 C306 H30G 120.5 . . ?
C402 C401 C406 118.6(12) . . ?
C402 C401 H40A 120.7 . . ?
C406 C401 H40A 120.7 . . ?
C403 C402 C401 121.3(12) . . ?
C403 C402 H40B 119.3 . . ?
C401 C402 H40B 119.3 . . ?
C402 C403 C404 117.8(11) . . ?
C402 C403 H40C 121.1 . . ?
C404 C403 H40C 121.1 . . ?
C405 C404 C403 122.7(10) . . ?
C405 C404 H40D 118.6 . . ?
C403 C404 H40D 118.6 . . ?
C406 C405 C404 118.2(10) . . ?
C406 C405 H40E 120.9 . . ?
C404 C405 H40E 120.9 . . ?
C405 C406 C401 121.4(12) . . ?
C405 C406 H40F 119.3 . . ?
C401 C406 H40F 119.3 . . ?
F632 C63 F633 107.4(7) . . ?
F632 C63 F631 114.8(7) . . ?
F633 C63 F631 96.1(8) . . ?
F632 C63 C62 115.8(6) . . ?
F633 C63 C62 113.3(7) . . ?
F631 C63 C62 108.0(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O71 2.367(7) . ?
Nd1 O61 2.420(7) . ?
Nd1 O77 2.421(6) . ?
Nd1 O57 2.425(7) . ?
Nd1 O67 2.442(6) . ?
Nd1 O51 2.476(7) . ?
Nd1 O1 2.507(6) . ?
Nd1 N21 2.712(7) . ?
Nd1 N11 2.787(7) . ?
Pt1 C31 1.937(9) . ?
Pt1 C41 1.947(9) . ?
Pt1 N23 2.052(7) . ?
Pt1 N13 2.073(7) . ?
F391 C39 1.342(12) . ?
F392 C39 1.342(13) . ?
F393 C39 1.330(12) . ?
F491 C49 1.324(15) . ?
F492 C49 1.332(14) . ?
F493 C49 1.308(13) . ?
F531 C53 1.305(16) . ?
F532 C53 1.320(13) . ?
F533 C53 1.338(14) . ?
F561 C56 1.337(15) . ?
F562 C56 1.352(16) . ?
F563 C56 1.362(16) . ?
F631 C63 1.346(12) . ?
F632 C63 1.260(9) . ?
F633 C63 1.310(13) . ?
F661 C66 1.346(14) . ?
F662 C66 1.339(18) . ?
F663 C66 1.331(13) . ?
F731 C73 1.326(14) . ?
F732 C73 1.302(14) . ?
F733 C73 1.311(13) . ?
F761 C76 1.373(15) . ?
F762 C76 1.206(15) . ?
F763 C76 1.264(16) . ?
O51 C52 1.249(11) . ?
O57 C55 1.267(13) . ?
O61 C62 1.236(12) . ?
O67 C65 1.246(11) . ?
O71 C72 1.258(12) . ?
O77 C75 1.226(12) . ?
N11 C12 1.306(11) . ?
N11 C16 1.345(12) . ?
N13 C14 1.339(12) . ?
N13 C12 1.369(10) . ?
N21 C26 1.333(12) . ?
N21 C22 1.335(11) . ?
N23 C24 1.346(12) . ?
N23 C22 1.354(11) . ?
C12 C22 1.476(12) . ?
C14 C15 1.363(13) . ?
C14 H14A 0.9300 . ?
C15 C16 1.386(12) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C25 C24 1.371(13) . ?
C25 C26 1.382(13) . ?
C25 H25A 0.9300 . ?
C24 H26A 0.9300 . ?
C26 H26B 0.9300 . ?
C31 C32 1.221(13) . ?
C32 C33 1.415(12) . ?
C33 C34 1.399(12) . ?
C33 C38 1.405(12) . ?
C34 C35 1.390(13) . ?
C34 H34A 0.9300 . ?
C35 C36 1.364(13) . ?
C35 H35A 0.9300 . ?
C36 C37 1.407(13) . ?
C36 C39 1.472(14) . ?
C37 C38 1.338(13) . ?
C37 H37A 0.9300 . ?
C38 H38A 0.9300 . ?
C41 C42 1.213(12) . ?
C42 C43 1.443(12) . ?
C43 C48 1.388(13) . ?
C43 C44 1.402(12) . ?
C44 C45 1.354(12) . ?
C44 H44A 0.9300 . ?
C45 C46 1.394(13) . ?
C45 H45A 0.9300 . ?
C46 C47 1.394(13) . ?
C46 C49 1.493(14) . ?
C47 C48 1.380(14) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?
C52 C54 1.400(15) . ?
C52 C53 1.529(16) . ?
C54 C55 1.413(17) . ?
C54 H54A 0.9300 . ?
C55 C56 1.504(16) . ?
C62 C64 1.390(16) . ?
C62 C63 1.536(10) . ?
C64 C65 1.400(15) . ?
C64 H64A 0.9300 . ?
C65 C66 1.521(17) . ?
C72 C74 1.382(14) . ?
C72 C73 1.545(15) . ?
C74 C75 1.370(14) . ?
C74 H74A 0.9300 . ?
C75 C76 1.537(15) . ?
Nd2 O167 2.404(6) . ?
Nd2 O171 2.426(6) . ?
Nd2 O177 2.428(6) . ?
Nd2 O161 2.432(6) . ?
Nd2 O151 2.432(6) . ?
Nd2 O157 2.484(6) . ?
Nd2 O2 2.534(6) . ?
Nd2 N111 2.683(7) . ?
Nd2 N121 2.708(7) . ?
Pt2 C131 1.943(8) . ?
Pt2 C141 1.945(8) . ?
Pt2 N113 2.061(7) . ?
Pt2 N123 2.075(7) . ?
F53B C153 1.309(12) . ?
F53C C153 1.318(12) . ?
F53A C153 1.316(13) . ?
F56A C156 1.321(12) . ?
F56C C156 1.294(13) . ?
F56B C156 1.321(14) . ?
F63C C163 1.313(13) . ?
F63A C163 1.356(15) . ?
F63B C163 1.344(13) . ?
F66A C166 1.282(13) . ?
F66C C166 1.354(17) . ?
F66B C166 1.306(14) . ?
F73B C173 1.308(16) . ?
F73C C173 1.324(13) . ?
F73A C173 1.311(14) . ?
F76C C176 1.343(16) . ?
F76B C176 1.273(14) . ?
F76A C176 1.322(14) . ?
F131 C139 1.323(13) . ?
F132 C139 1.324(14) . ?
F133 C139 1.346(14) . ?
F141 C149 1.336(12) . ?
F142 C149 1.333(13) . ?
F143 C149 1.350(11) . ?
O151 C152 1.247(10) . ?
O157 C155 1.248(12) . ?
O161 C162 1.265(12) . ?
O167 C165 1.248(11) . ?
O171 C172 1.254(13) . ?
O177 C175 1.262(12) . ?
N111 C116 1.333(11) . ?
N111 C112 1.337(11) . ?
N113 C114 1.344(10) . ?
N113 C112 1.347(10) . ?
N121 C122 1.337(10) . ?
N121 C126 1.342(10) . ?
N123 C124 1.336(11) . ?
N123 C122 1.354(11) . ?
C112 C122 1.460(11) . ?
C114 C115 1.376(12) . ?
C114 H11A 0.9300 . ?
C115 C116 1.390(12) . ?
C115 H11B 0.9300 . ?
C116 H11C 0.9300 . ?
C124 C125 1.377(13) . ?
C124 H12A 0.9300 . ?
C125 C126 1.382(12) . ?
C125 H12B 0.9300 . ?
C126 H12C 0.9300 . ?
C131 C132 1.216(12) . ?
C132 C133 1.433(13) . ?
C133 C134 1.361(13) . ?
C133 C138 1.410(13) . ?
C134 C135 1.379(14) . ?
C134 H13A 0.9300 . ?
C135 C136 1.372(14) . ?
C135 H13B 0.9300 . ?
C136 C137 1.369(15) . ?
C136 C139 1.494(14) . ?
C137 C138 1.386(14) . ?
C137 H13C 0.9300 . ?
C138 H13D 0.9300 . ?
C141 C142 1.211(12) . ?
C142 C143 1.436(13) . ?
C143 C148 1.373(13) . ?
C143 C144 1.415(13) . ?
C144 C145 1.359(12) . ?
C144 H14B 0.9300 . ?
C145 C146 1.354(14) . ?
C145 H14C 0.9300 . ?
C146 C147 1.371(14) . ?
C146 C149 1.508(12) . ?
C147 C148 1.383(14) . ?
C147 H14D 0.9300 . ?
C148 H14E 0.9300 . ?
C152 C154 1.397(13) . ?
C152 C153 1.534(13) . ?
C154 C155 1.386(14) . ?
C154 H15B 0.9300 . ?
C155 C156 1.529(14) . ?
C162 C164 1.397(15) . ?
C162 C163 1.506(14) . ?
C164 C165 1.396(13) . ?
C164 H16B 0.9300 . ?
C165 C166 1.542(14) . ?
C172 C174 1.381(17) . ?
C172 C173 1.541(16) . ?
C174 C175 1.362(16) . ?
C174 H17A 0.9300 . ?
C175 C176 1.535(16) . ?
C301 C302 1.14(3) . ?
C301 C306 1.30(2) . ?
C301 H30A 0.9300 . ?
C302 C303 1.37(2) . ?
C302 H30B 0.9300 . ?
C303 C304 1.34(2) . ?
C303 H30C 0.9300 . ?
C304 C305 1.48(2) . ?
C304 H30D 0.9300 . ?
C305 C306 1.47(2) . ?
C305 H305 0.9300 . ?
C306 H30G 0.9300 . ?
C401 C402 1.384(19) . ?
C401 C406 1.404(18) . ?
C401 H40A 0.9300 . ?
C402 C403 1.373(16) . ?
C402 H40B 0.9300 . ?
C403 C404 1.396(15) . ?
C403 H40C 0.9300 . ?
C404 C405 1.369(15) . ?
C404 H40D 0.9300 . ?
C405 C406 1.366(15) . ?
C405 H40E 0.9300 . ?
C406 H40F 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O71 Nd1 O51 C52 107.3(9) . . . . ?
O61 Nd1 O51 C52 -26.2(10) . . . . ?
O77 Nd1 O51 C52 33.6(9) . . . . ?
O57 Nd1 O51 C52 -42.0(9) . . . . ?
O67 Nd1 O51 C52 85.9(10) . . . . ?
O1 Nd1 O51 C52 -123.5(10) . . . . ?
N21 Nd1 O51 C52 -132.7(8) . . . . ?
N11 Nd1 O51 C52 166.3(9) . . . . ?
O71 Nd1 O57 C55 10.6(10) . . . . ?
O61 Nd1 O57 C55 -121.2(9) . . . . ?
O77 Nd1 O57 C55 -39.7(9) . . . . ?
O67 Nd1 O57 C55 -90.5(9) . . . . ?
O51 Nd1 O57 C55 46.7(9) . . . . ?
O1 Nd1 O57 C55 121.0(9) . . . . ?
N21 Nd1 O57 C55 -176.7(9) . . . . ?
N11 Nd1 O57 C55 125.2(9) . . . . ?
O71 Nd1 O61 C62 10.2(12) . . . . ?
O77 Nd1 O61 C62 54.0(10) . . . . ?
O57 Nd1 O61 C62 131.1(11) . . . . ?
O67 Nd1 O61 C62 -24.5(10) . . . . ?
O51 Nd1 O61 C62 115.3(10) . . . . ?
O1 Nd1 O61 C62 -164.3(10) . . . . ?
N21 Nd1 O61 C62 -108.0(11) . . . . ?
N11 Nd1 O61 C62 -78.7(10) . . . . ?
O71 Nd1 O67 C65 -124.5(9) . . . . ?
O61 Nd1 O67 C65 31.2(9) . . . . ?
O77 Nd1 O67 C65 -49.8(9) . . . . ?
O57 Nd1 O67 C65 0.5(10) . . . . ?
O51 Nd1 O67 C65 -103.9(9) . . . . ?
O1 Nd1 O67 C65 125.1(9) . . . . ?
N21 Nd1 O67 C65 101.1(9) . . . . ?
N11 Nd1 O67 C65 163.9(10) . . . . ?
O61 Nd1 O71 C72 50.2(11) . . . . ?
O77 Nd1 O71 C72 5.0(9) . . . . ?
O57 Nd1 O71 C72 -46.0(10) . . . . ?
O67 Nd1 O71 C72 83.8(10) . . . . ?
O51 Nd1 O71 C72 -82.0(9) . . . . ?
O1 Nd1 O71 C72 -135.5(9) . . . . ?
N21 Nd1 O71 C72 142.7(9) . . . . ?
N11 Nd1 O71 C72 161.4(10) . . . . ?
O71 Nd1 O77 C75 1.8(8) . . . . ?
O61 Nd1 O77 C75 -147.6(9) . . . . ?
O57 Nd1 O77 C75 141.2(9) . . . . ?
O67 Nd1 O77 C75 -76.1(9) . . . . ?
O51 Nd1 O77 C75 71.7(9) . . . . ?
O1 Nd1 O77 C75 109.1(9) . . . . ?
N21 Nd1 O77 C75 -121.9(8) . . . . ?
N11 Nd1 O77 C75 -29.1(10) . . . . ?
O71 Nd1 N11 C12 -154.2(7) . . . . ?
O61 Nd1 N11 C12 -22.7(7) . . . . ?
O77 Nd1 N11 C12 -122.5(6) . . . . ?
O57 Nd1 N11 C12 77.6(8) . . . . ?
O67 Nd1 N11 C12 -75.1(6) . . . . ?
O51 Nd1 N11 C12 147.0(6) . . . . ?
O1 Nd1 N11 C12 81.8(6) . . . . ?
N21 Nd1 N11 C12 8.4(6) . . . . ?
O71 Nd1 N11 C16 18.9(7) . . . . ?
O61 Nd1 N11 C16 150.3(6) . . . . ?
O77 Nd1 N11 C16 50.5(8) . . . . ?
O57 Nd1 N11 C16 -109.3(8) . . . . ?
O67 Nd1 N11 C16 98.0(7) . . . . ?
O51 Nd1 N11 C16 -39.9(7) . . . . ?
O1 Nd1 N11 C16 -105.2(7) . . . . ?
N21 Nd1 N11 C16 -178.5(7) . . . . ?
C41 Pt1 N13 C14 -3.5(8) . . . . ?
N23 Pt1 N13 C14 178.3(8) . . . . ?
C41 Pt1 N13 C12 177.2(6) . . . . ?
N23 Pt1 N13 C12 -1.0(6) . . . . ?
O71 Nd1 N21 C26 -162.7(6) . . . . ?
O61 Nd1 N21 C26 -32.0(6) . . . . ?
O77 Nd1 N21 C26 -59.3(8) . . . . ?
O57 Nd1 N21 C26 24.5(7) . . . . ?
O67 Nd1 N21 C26 -104.8(7) . . . . ?
O51 Nd1 N21 C26 99.9(7) . . . . ?
O1 Nd1 N21 C26 90.6(7) . . . . ?
N11 Nd1 N21 C26 177.2(7) . . . . ?
O71 Nd1 N21 C22 11.4(7) . . . . ?
O61 Nd1 N21 C22 142.1(7) . . . . ?
O77 Nd1 N21 C22 114.8(6) . . . . ?
O57 Nd1 N21 C22 -161.4(6) . . . . ?
O67 Nd1 N21 C22 69.3(6) . . . . ?
O51 Nd1 N21 C22 -86.0(7) . . . . ?
O1 Nd1 N21 C22 -95.3(6) . . . . ?
N11 Nd1 N21 C22 -8.7(6) . . . . ?
C31 Pt1 N23 C24 3.9(8) . . . . ?
N13 Pt1 N23 C24 -177.3(7) . . . . ?
C31 Pt1 N23 C22 -178.0(6) . . . . ?
N13 Pt1 N23 C22 0.7(6) . . . . ?
C16 N11 C12 N13 -0.7(12) . . . . ?
Nd1 N11 C12 N13 172.9(6) . . . . ?
C16 N11 C12 C22 178.2(8) . . . . ?
Nd1 N11 C12 C22 -8.1(10) . . . . ?
C14 N13 C12 N11 0.7(12) . . . . ?
Pt1 N13 C12 N11 -179.9(7) . . . . ?
C14 N13 C12 C22 -178.3(7) . . . . ?
Pt1 N13 C12 C22 1.1(9) . . . . ?
C12 N13 C14 C15 -0.4(12) . . . . ?
Pt1 N13 C14 C15 -179.8(6) . . . . ?
N13 C14 C15 C16 0.3(14) . . . . ?
C12 N11 C16 C15 0.6(13) . . . . ?
Nd1 N11 C16 C15 -172.7(7) . . . . ?
C14 C15 C16 N11 -0.4(14) . . . . ?
C26 N21 C22 N23 2.6(12) . . . . ?
Nd1 N21 C22 N23 -171.9(6) . . . . ?
C26 N21 C22 C12 -176.7(7) . . . . ?
Nd1 N21 C22 C12 8.8(10) . . . . ?
C24 N23 C22 N21 -1.4(12) . . . . ?
Pt1 N23 C22 N21 -179.7(6) . . . . ?
C24 N23 C22 C12 177.9(7) . . . . ?
Pt1 N23 C22 C12 -0.4(9) . . . . ?
N11 C12 C22 N21 -0.1(12) . . . . ?
N13 C12 C22 N21 178.9(7) . . . . ?
N11 C12 C22 N23 -179.5(7) . . . . ?
N13 C12 C22 N23 -0.5(11) . . . . ?
C22 N23 C24 C25 -1.4(12) . . . . ?
Pt1 N23 C24 C25 176.6(6) . . . . ?
C26 C25 C24 N23 2.9(14) . . . . ?
C22 N21 C26 C25 -0.9(13) . . . . ?
Nd1 N21 C26 C25 173.5(7) . . . . ?
C24 C25 C26 N21 -1.7(14) . . . . ?
C38 C33 C34 C35 1.0(15) . . . . ?
C32 C33 C34 C35 -176.4(9) . . . . ?
C33 C34 C35 C36 1.6(16) . . . . ?
C34 C35 C36 C37 -2.8(16) . . . . ?
C34 C35 C36 C39 174.4(10) . . . . ?
C35 C36 C37 C38 1.4(16) . . . . ?
C39 C36 C37 C38 -175.8(10) . . . . ?
C36 C37 C38 C33 1.2(16) . . . . ?
C34 C33 C38 C37 -2.4(15) . . . . ?
C32 C33 C38 C37 175.1(10) . . . . ?
C35 C36 C39 F393 178.9(10) . . . . ?
C37 C36 C39 F393 -4.1(15) . . . . ?
C35 C36 C39 F392 58.0(13) . . . . ?
C37 C36 C39 F392 -125.0(10) . . . . ?
C35 C36 C39 F391 -61.6(14) . . . . ?
C37 C36 C39 F391 115.5(11) . . . . ?
C48 C43 C44 C45 -0.6(13) . . . . ?
C42 C43 C44 C45 178.0(8) . . . . ?
C43 C44 C45 C46 0.7(14) . . . . ?
C44 C45 C46 C47 -0.6(13) . . . . ?
C44 C45 C46 C49 -177.0(9) . . . . ?
C45 C46 C47 C48 0.4(14) . . . . ?
C49 C46 C47 C48 176.8(10) . . . . ?
C46 C47 C48 C43 -0.3(15) . . . . ?
C44 C43 C48 C47 0.4(14) . . . . ?
C42 C43 C48 C47 -178.2(9) . . . . ?
C47 C46 C49 F493 170.0(10) . . . . ?
C45 C46 C49 F493 -13.6(15) . . . . ?
C47 C46 C49 F491 48.8(14) . . . . ?
C45 C46 C49 F491 -134.9(11) . . . . ?
C47 C46 C49 F492 -68.3(13) . . . . ?
C45 C46 C49 F492 108.1(11) . . . . ?
Nd1 O51 C52 C54 29.7(16) . . . . ?
Nd1 O51 C52 C53 -151.6(8) . . . . ?
O51 C52 C53 F531 49.2(14) . . . . ?
C54 C52 C53 F531 -131.9(11) . . . . ?
O51 C52 C53 F532 170.4(11) . . . . ?
C54 C52 C53 F532 -10.7(17) . . . . ?
O51 C52 C53 F533 -67.1(14) . . . . ?
C54 C52 C53 F533 111.7(12) . . . . ?
O51 C52 C54 C55 3.8(18) . . . . ?
C53 C52 C54 C55 -175.0(11) . . . . ?
Nd1 O57 C55 C54 -40.8(16) . . . . ?
Nd1 O57 C55 C56 136.3(9) . . . . ?
C52 C54 C55 O57 1.7(19) . . . . ?
C52 C54 C55 C56 -175.4(11) . . . . ?
O57 C55 C56 F561 163.5(11) . . . . ?
C54 C55 C56 F561 -19.1(17) . . . . ?
O57 C55 C56 F562 40.1(16) . . . . ?
C54 C55 C56 F562 -142.5(12) . . . . ?
O57 C55 C56 F563 -76.4(14) . . . . ?
C54 C55 C56 F563 101.0(14) . . . . ?
Nd1 O61 C62 C64 15.4(19) . . . . ?
Nd1 O61 C62 C63 -174.4(5) . . . . ?
O61 C62 C64 C65 4.3(18) . . . . ?
C63 C62 C64 C65 -166.2(8) . . . . ?
Nd1 O67 C65 C64 -29.8(15) . . . . ?
Nd1 O67 C65 C66 152.3(8) . . . . ?
C62 C64 C65 O67 3.4(16) . . . . ?
C62 C64 C65 C66 -178.8(11) . . . . ?
O67 C65 C66 F663 -168.1(11) . . . . ?
C64 C65 C66 F663 13.8(17) . . . . ?
O67 C65 C66 F662 -44.6(13) . . . . ?
C64 C65 C66 F662 137.3(10) . . . . ?
O67 C65 C66 F661 72.8(14) . . . . ?
C64 C65 C66 F661 -105.3(11) . . . . ?
Nd1 O71 C72 C74 -7.8(17) . . . . ?
Nd1 O71 C72 C73 174.7(7) . . . . ?
O71 C72 C73 F732 -46.9(13) . . . . ?
C74 C72 C73 F732 135.4(10) . . . . ?
O71 C72 C73 F733 -168.4(11) . . . . ?
C74 C72 C73 F733 14.0(16) . . . . ?
O71 C72 C73 F731 72.7(13) . . . . ?
C74 C72 C73 F731 -104.9(11) . . . . ?
O71 C72 C74 C75 2.5(17) . . . . ?
C73 C72 C74 C75 179.8(10) . . . . ?
Nd1 O77 C75 C74 -6.2(16) . . . . ?
Nd1 O77 C75 C76 176.6(6) . . . . ?
C72 C74 C75 O77 4.4(17) . . . . ?
C72 C74 C75 C76 -178.5(10) . . . . ?
O77 C75 C76 F762 -54.5(16) . . . . ?
C74 C75 C76 F762 128.0(14) . . . . ?
O77 C75 C76 F763 80.3(13) . . . . ?
C74 C75 C76 F763 -97.2(14) . . . . ?
O77 C75 C76 F761 -172.4(9) . . . . ?
C74 C75 C76 F761 10.1(14) . . . . ?
O167 Nd2 O151 C152 30.6(7) . . . . ?
O171 Nd2 O151 C152 107.3(8) . . . . ?
O177 Nd2 O151 C152 86.9(8) . . . . ?
O161 Nd2 O151 C152 -26.9(9) . . . . ?
O157 Nd2 O151 C152 -43.2(7) . . . . ?
O2 Nd2 O151 C152 -111.3(7) . . . . ?
N111 Nd2 O151 C152 177.7(8) . . . . ?
N121 Nd2 O151 C152 -168.2(7) . . . . ?
O167 Nd2 O157 C155 -46.5(7) . . . . ?
O171 Nd2 O157 C155 5.8(8) . . . . ?
O177 Nd2 O157 C155 -92.2(8) . . . . ?
O161 Nd2 O157 C155 -125.3(8) . . . . ?
O151 Nd2 O157 C155 42.8(7) . . . . ?
O2 Nd2 O157 C155 138.7(8) . . . . ?
N111 Nd2 O157 C155 95.5(8) . . . . ?
N121 Nd2 O157 C155 176.1(7) . . . . ?
O167 Nd2 O161 C162 -0.4(8) . . . . ?
O171 Nd2 O161 C162 -49.6(10) . . . . ?
O177 Nd2 O161 C162 -78.2(9) . . . . ?
O151 Nd2 O161 C162 60.3(9) . . . . ?
O157 Nd2 O161 C162 76.4(9) . . . . ?
O2 Nd2 O161 C162 144.4(9) . . . . ?
N111 Nd2 O161 C162 -159.7(8) . . . . ?
N121 Nd2 O161 C162 -145.5(9) . . . . ?
O171 Nd2 O167 C165 144.5(9) . . . . ?
O177 Nd2 O167 C165 72.0(8) . . . . ?
O161 Nd2 O167 C165 -1.3(8) . . . . ?
O151 Nd2 O167 C165 -144.1(9) . . . . ?
O157 Nd2 O167 C165 -74.7(9) . . . . ?
O2 Nd2 O167 C165 -67.0(9) . . . . ?
N111 Nd2 O167 C165 157.8(8) . . . . ?
N121 Nd2 O167 C165 54.9(9) . . . . ?
O167 Nd2 O171 C172 -53.3(9) . . . . ?
O177 Nd2 O171 C172 24.2(9) . . . . ?
O161 Nd2 O171 C172 -4.5(10) . . . . ?
O151 Nd2 O171 C172 -141.1(10) . . . . ?
O157 Nd2 O171 C172 -104.7(9) . . . . ?
O2 Nd2 O171 C172 155.1(9) . . . . ?
N111 Nd2 O171 C172 135.6(10) . . . . ?
N121 Nd2 O171 C172 82.9(9) . . . . ?
O167 Nd2 O177 C175 50.5(9) . . . . ?
O171 Nd2 O177 C175 -29.5(9) . . . . ?
O161 Nd2 O177 C175 129.0(10) . . . . ?
O151 Nd2 O177 C175 -8.9(10) . . . . ?
O157 Nd2 O177 C175 95.9(9) . . . . ?
O2 Nd2 O177 C175 -163.9(9) . . . . ?
N111 Nd2 O177 C175 -90.3(9) . . . . ?
N121 Nd2 O177 C175 -142.2(10) . . . . ?
O167 Nd2 N111 C116 46.4(8) . . . . ?
O171 Nd2 N111 C116 60.3(7) . . . . ?
O177 Nd2 N111 C116 122.6(7) . . . . ?
O161 Nd2 N111 C116 -166.7(6) . . . . ?
O151 Nd2 N111 C116 -13.7(7) . . . . ?
O157 Nd2 N111 C116 -63.1(7) . . . . ?
O2 Nd2 N111 C116 -105.5(7) . . . . ?
N121 Nd2 N111 C116 177.3(8) . . . . ?
O167 Nd2 N111 C112 -128.3(6) . . . . ?
O171 Nd2 N111 C112 -114.4(6) . . . . ?
O177 Nd2 N111 C112 -52.1(6) . . . . ?
O161 Nd2 N111 C112 18.7(8) . . . . ?
O151 Nd2 N111 C112 171.7(6) . . . . ?
O157 Nd2 N111 C112 122.2(6) . . . . ?
O2 Nd2 N111 C112 79.8(6) . . . . ?
N121 Nd2 N111 C112 2.7(6) . . . . ?
C131 Pt2 N113 C114 -0.8(8) . . . . ?
N123 Pt2 N113 C114 -177.3(8) . . . . ?
C131 Pt2 N113 C112 178.9(6) . . . . ?
N123 Pt2 N113 C112 2.4(6) . . . . ?
O167 Nd2 N121 C122 132.8(6) . . . . ?
O171 Nd2 N121 C122 53.4(6) . . . . ?
O177 Nd2 N121 C122 114.8(6) . . . . ?
O161 Nd2 N121 C122 -173.2(6) . . . . ?
O151 Nd2 N121 C122 -19.1(7) . . . . ?
O157 Nd2 N121 C122 -119.1(6) . . . . ?
O2 Nd2 N121 C122 -82.0(6) . . . . ?
N111 Nd2 N121 C122 -3.4(6) . . . . ?
O167 Nd2 N121 C126 -39.5(8) . . . . ?
O171 Nd2 N121 C126 -119.0(6) . . . . ?
O177 Nd2 N121 C126 -57.6(6) . . . . ?
O161 Nd2 N121 C126 14.4(6) . . . . ?
O151 Nd2 N121 C126 168.6(6) . . . . ?
O157 Nd2 N121 C126 68.6(7) . . . . ?
O2 Nd2 N121 C126 105.7(7) . . . . ?
N111 Nd2 N121 C126 -175.7(7) . . . . ?
C141 Pt2 N123 C124 -0.6(8) . . . . ?
N113 Pt2 N123 C124 177.1(8) . . . . ?
C141 Pt2 N123 C122 -179.6(6) . . . . ?
N113 Pt2 N123 C122 -1.9(6) . . . . ?
C116 N111 C112 N113 -1.0(12) . . . . ?
Nd2 N111 C112 N113 173.9(6) . . . . ?
C116 N111 C112 C122 -176.9(8) . . . . ?
Nd2 N111 C112 C122 -1.9(10) . . . . ?
C114 N113 C112 N111 1.3(12) . . . . ?
Pt2 N113 C112 N111 -178.5(6) . . . . ?
C114 N113 C112 C122 177.2(8) . . . . ?
Pt2 N113 C112 C122 -2.5(9) . . . . ?
C112 N113 C114 C115 0.8(13) . . . . ?
Pt2 N113 C114 C115 -179.5(7) . . . . ?
N113 C114 C115 C116 -2.8(14) . . . . ?
C112 N111 C116 C115 -1.3(13) . . . . ?
Nd2 N111 C116 C115 -176.2(7) . . . . ?
C114 C115 C116 N111 3.2(15) . . . . ?
C126 N121 C122 N123 -1.6(12) . . . . ?
Nd2 N121 C122 N123 -174.4(6) . . . . ?
C126 N121 C122 C112 176.9(7) . . . . ?
Nd2 N121 C122 C112 4.0(10) . . . . ?
C124 N123 C122 N121 0.6(13) . . . . ?
Pt2 N123 C122 N121 179.7(6) . . . . ?
C124 N123 C122 C112 -177.9(7) . . . . ?
Pt2 N123 C122 C112 1.2(9) . . . . ?
N111 C112 C122 N121 -1.5(12) . . . . ?
N113 C112 C122 N121 -177.7(7) . . . . ?
N111 C112 C122 N123 177.1(7) . . . . ?
N113 C112 C122 N123 0.9(11) . . . . ?
C122 N123 C124 C125 0.5(13) . . . . ?
Pt2 N123 C124 C125 -178.5(6) . . . . ?
N123 C124 C125 C126 -0.4(14) . . . . ?
C122 N121 C126 C125 1.6(12) . . . . ?
Nd2 N121 C126 C125 174.1(6) . . . . ?
C124 C125 C126 N121 -0.6(14) . . . . ?
C138 C133 C134 C135 -2.8(16) . . . . ?
C132 C133 C134 C135 173.9(10) . . . . ?
C133 C134 C135 C136 0.0(17) . . . . ?
C134 C135 C136 C137 3.9(17) . . . . ?
C134 C135 C136 C139 -179.9(10) . . . . ?
C135 C136 C137 C138 -5.0(17) . . . . ?
C139 C136 C137 C138 178.9(10) . . . . ?
C136 C137 C138 C133 2.2(16) . . . . ?
C134 C133 C138 C137 1.7(15) . . . . ?
C132 C133 C138 C137 -175.2(10) . . . . ?
C137 C136 C139 F131 -11.3(16) . . . . ?
C135 C136 C139 F131 172.5(10) . . . . ?
C137 C136 C139 F132 112.1(13) . . . . ?
C135 C136 C139 F132 -64.0(14) . . . . ?
C137 C136 C139 F133 -131.0(12) . . . . ?
C135 C136 C139 F133 52.9(14) . . . . ?
C148 C143 C144 C145 -0.1(14) . . . . ?
C142 C143 C144 C145 179.6(9) . . . . ?
C143 C144 C145 C146 -0.7(14) . . . . ?
C144 C145 C146 C147 0.7(15) . . . . ?
C144 C145 C146 C149 -178.0(9) . . . . ?
C145 C146 C147 C148 0.2(16) . . . . ?
C149 C146 C147 C148 178.9(10) . . . . ?
C144 C143 C148 C147 0.9(16) . . . . ?
C142 C143 C148 C147 -178.7(10) . . . . ?
C146 C147 C148 C143 -1.0(17) . . . . ?
C145 C146 C149 F142 -16.9(13) . . . . ?
C147 C146 C149 F142 164.4(9) . . . . ?
C145 C146 C149 F141 -139.7(10) . . . . ?
C147 C146 C149 F141 41.6(13) . . . . ?
C145 C146 C149 F143 102.4(11) . . . . ?
C147 C146 C149 F143 -76.3(12) . . . . ?
Nd2 O151 C152 C154 32.8(13) . . . . ?
Nd2 O151 C152 C153 -150.7(7) . . . . ?
O151 C152 C153 F53B -51.9(12) . . . . ?
C154 C152 C153 F53B 125.0(9) . . . . ?
O151 C152 C153 F53A 66.3(11) . . . . ?
C154 C152 C153 F53A -116.9(10) . . . . ?
O151 C152 C153 F53C -174.0(9) . . . . ?
C154 C152 C153 F53C 2.8(14) . . . . ?
O151 C152 C154 C155 3.9(15) . . . . ?
C153 C152 C154 C155 -172.5(9) . . . . ?
Nd2 O157 C155 C154 -33.3(14) . . . . ?
Nd2 O157 C155 C156 151.3(7) . . . . ?
C152 C154 C155 O157 -2.7(16) . . . . ?
C152 C154 C155 C156 172.6(9) . . . . ?
O157 C155 C156 F56C 89.9(12) . . . . ?
C154 C155 C156 F56C -86.0(13) . . . . ?
O157 C155 C156 F56A -30.1(14) . . . . ?
C154 C155 C156 F56A 154.1(10) . . . . ?
O157 C155 C156 F56B -150.1(10) . . . . ?
C154 C155 C156 F56B 34.0(14) . . . . ?
Nd2 O161 C162 C164 2.6(17) . . . . ?
Nd2 O161 C162 C163 -177.7(7) . . . . ?
O161 C162 C163 F63C -30.4(15) . . . . ?
C164 C162 C163 F63C 149.4(11) . . . . ?
O161 C162 C163 F63B -151.5(11) . . . . ?
C164 C162 C163 F63B 28.3(16) . . . . ?
O161 C162 C163 F63A 86.2(12) . . . . ?
C164 C162 C163 F63A -94.0(12) . . . . ?
O161 C162 C164 C165 -3(2) . . . . ?
C163 C162 C164 C165 176.9(11) . . . . ?
Nd2 O167 C165 C164 0.9(17) . . . . ?
Nd2 O167 C165 C166 -178.8(8) . . . . ?
C162 C164 C165 O167 1.5(19) . . . . ?
C162 C164 C165 C166 -178.7(11) . . . . ?
O167 C165 C166 F66A -15.6(17) . . . . ?
C164 C165 C166 F66A 164.6(12) . . . . ?
O167 C165 C166 F66B -140.1(10) . . . . ?
C164 C165 C166 F66B 40.1(15) . . . . ?
O167 C165 C166 F66C 106.6(11) . . . . ?
C164 C165 C166 F66C -73.2(13) . . . . ?
Nd2 O171 C172 C174 -14.7(18) . . . . ?
Nd2 O171 C172 C173 169.3(7) . . . . ?
O171 C172 C173 F73B 53.8(13) . . . . ?
C174 C172 C173 F73B -122.5(12) . . . . ?
O171 C172 C173 F73A 173.8(11) . . . . ?
C174 C172 C173 F73A -2.5(17) . . . . ?
O171 C172 C173 F73C -63.3(15) . . . . ?
C174 C172 C173 F73C 120.4(13) . . . . ?
O171 C172 C174 C175 -6(2) . . . . ?
C173 C172 C174 C175 169.5(11) . . . . ?
Nd2 O177 C175 C174 26.1(17) . . . . ?
Nd2 O177 C175 C176 -159.3(7) . . . . ?
C172 C174 C175 O177 0(2) . . . . ?
C172 C174 C175 C176 -173.9(11) . . . . ?
O177 C175 C176 F76B 160.3(12) . . . . ?
C174 C175 C176 F76B -24.7(18) . . . . ?
O177 C175 C176 F76A -72.5(14) . . . . ?
C174 C175 C176 F76A 102.5(13) . . . . ?
O177 C175 C176 F76C 43.7(15) . . . . ?
C174 C175 C176 F76C -141.3(13) . . . . ?
C306 C301 C302 C303 3(4) . . . . ?
C301 C302 C303 C304 -2(3) . . . . ?
C302 C303 C304 C305 1(2) . . . . ?
C303 C304 C305 C306 0(2) . . . . ?
C302 C301 C306 C305 -1(4) . . . . ?
C304 C305 C306 C301 0(3) . . . . ?
C406 C401 C402 C403 -1(2) . . . . ?
C401 C402 C403 C404 -1(2) . . . . ?
C402 C403 C404 C405 2.1(17) . . . . ?
C403 C404 C405 C406 -1.5(16) . . . . ?
C404 C405 C406 C401 -0.2(17) . . . . ?
C402 C401 C406 C405 1(2) . . . . ?
O61 C62 C63 F632 166.6(9) . . . . ?
C64 C62 C63 F632 -21.7(11) . . . . ?
O61 C62 C63 F633 -68.7(12) . . . . ?
C64 C62 C63 F633 103.0(10) . . . . ?
O61 C62 C63 F631 36.5(12) . . . . ?
C64 C62 C63 F631 -151.9(9) . . . . ?
