# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008



data_global

_journal_coden_Cambridge         182
_journal_volume                  ?
_journal_page_first              ?
_journal_year                    ?

loop_
_publ_author_name
'John Ellis'
'Victor J. Sussman'

_publ_contact_author_name        'Prof John Ellis '
_publ_contact_author_email       ELLIS@UMN.EDU

_publ_section_title              
;
A total loss of innocence: Double ortho-metallation
of bis(triphenylphosphano)iminium cation, [N(PPh3)2]+, by
tris(?-naphthalene)tantalate(1-)
;

#===END

data_06269m
_database_code_depnum_ccdc_archive 'CCDC 695310'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            06269
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H47 N O3 P3 Ta, 0.5(C4 H8 O)'
_chemical_formula_sum            'C51 H51 N O3.50 P3 Ta'
_chemical_formula_weight         1007.79

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   14.5262(12)
_cell_length_b                   20.6848(17)
_cell_length_c                   29.699(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.490(2)
_cell_angle_gamma                90.00
_cell_volume                     8907.2(13)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3353
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      27.27

_exptl_crystal_description       'irregular polyhedron'
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4080
_exptl_absorpt_coefficient_mu    2.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.825106
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'SADABS, R. Blessing 1995'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            52222
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.37
_diffrn_reflns_theta_max         27.50
_reflns_number_total             10191
_reflns_number_gt                8282
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART, Bruker'
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0215P)^2^+17.5956P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10191
_refine_ls_number_parameters     584
_refine_ls_number_restraints     55
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0626
_refine_ls_wR_factor_gt          0.0568
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
Ta1 Ta 0.297441(8) 0.567211(6) 0.845935(4) 0.02134(4) Uani 1 1 d . A .
P1 P 0.35835(5) 0.67535(4) 0.92971(3) 0.02324(16) Uani 1 1 d . . .
P2 P 0.49363(5) 0.78123(4) 0.92719(3) 0.02531(16) Uani 1 1 d . . .
N1 N 0.41231(17) 0.74066(12) 0.94565(9) 0.0276(6) Uani 1 1 d . . .
C1 C 0.2354(2) 0.46710(16) 0.82244(11) 0.0333(7) Uani 1 1 d . . .
H1B H 0.2280 0.4590 0.7892 0.040 Uiso 1 1 calc R . .
C2 C 0.1641(2) 0.50609(16) 0.84254(13) 0.0385(8) Uani 1 1 d . . .
H2A H 0.1067 0.5202 0.8249 0.046 Uiso 1 1 calc R . .
C3 C 0.1804(2) 0.52062(16) 0.88771(13) 0.0377(8) Uani 1 1 d . . .
H3A H 0.1369 0.5477 0.9045 0.045 Uiso 1 1 calc R . .
C4 C 0.2641(2) 0.49688(15) 0.90853(11) 0.0335(7) Uani 1 1 d . . .
H4B H 0.2822 0.5123 0.9397 0.040 Uiso 1 1 calc R . .
C5 C 0.3288(2) 0.38517(17) 0.92677(13) 0.0427(9) Uani 1 1 d . . .
H5A H 0.3403 0.3961 0.9577 0.051 Uiso 1 1 calc R . .
C6 C 0.3508(3) 0.32322(19) 0.91133(17) 0.0543(11) Uani 1 1 d . . .
H6A H 0.3787 0.2925 0.9317 0.065 Uiso 1 1 calc R . .
C7 C 0.3322(3) 0.30710(18) 0.86738(16) 0.0499(10) Uani 1 1 d . . .
H7A H 0.3463 0.2649 0.8573 0.060 Uiso 1 1 calc R . .
C8 C 0.2924(2) 0.35209(17) 0.83690(14) 0.0446(9) Uani 1 1 d . . .
H8A H 0.2789 0.3400 0.8063 0.054 Uiso 1 1 calc R . .
C9 C 0.2727(2) 0.41412(15) 0.85102(12) 0.0327(7) Uani 1 1 d . . .
C10 C 0.2902(2) 0.43038(15) 0.89660(11) 0.0323(7) Uani 1 1 d . . .
C11 C 0.40501(19) 0.62444(14) 0.89034(10) 0.0243(6) Uani 1 1 d . . .
C12 C 0.40659(19) 0.64988(15) 0.84470(10) 0.0253(6) Uani 1 1 d . . .
H12A H 0.3867 0.6953 0.8380 0.030 Uiso 1 1 calc R . .
C13 C 0.4309(2) 0.60886(16) 0.80962(11) 0.0317(7) Uani 1 1 d . . .
H13A H 0.4233 0.6244 0.7777 0.038 Uiso 1 1 calc R . .
C14 C 0.4431(2) 0.54231(16) 0.81806(11) 0.0305(7) Uani 1 1 d . . .
H14A H 0.4480 0.5111 0.7926 0.037 Uiso 1 1 calc R . .
C15 C 0.4403(2) 0.51993(15) 0.86296(10) 0.0281(7) Uani 1 1 d . . .
H15A H 0.4436 0.4724 0.8689 0.034 Uiso 1 1 calc R . .
C16 C 0.4676(2) 0.56667(15) 0.90099(11) 0.0300(6) Uani 1 1 d . . .
H16A H 0.5335 0.5789 0.9006 0.036 Uiso 1 1 calc R . .
H16B H 0.4560 0.5478 0.9308 0.036 Uiso 1 1 calc R . .
C17 C 0.24638(19) 0.69483(14) 0.90483(10) 0.0255(6) Uani 1 1 d . . .
C18 C 0.21279(19) 0.65267(14) 0.87000(10) 0.0243(6) Uani 1 1 d . . .
C19 C 0.1219(2) 0.66800(16) 0.85329(11) 0.0320(7) Uani 1 1 d . . .
H19A H 0.0938 0.6415 0.8302 0.038 Uiso 1 1 calc R . .
C20 C 0.0720(2) 0.71957(17) 0.86878(12) 0.0371(8) Uani 1 1 d . . .
H20A H 0.0115 0.7276 0.8560 0.045 Uiso 1 1 calc R . .
C22 C 0.1089(2) 0.75976(16) 0.90278(12) 0.0381(8) Uani 1 1 d . . .
H22A H 0.0746 0.7952 0.9133 0.046 Uiso 1 1 calc R . .
C23 C 0.1966(2) 0.74690(15) 0.92090(11) 0.0313(7) Uani 1 1 d . . .
H23A H 0.2233 0.7734 0.9443 0.038 Uiso 1 1 calc R . .
C24 C 0.3449(2) 0.63041(14) 0.98103(10) 0.0281(7) Uani 1 1 d . . .
C25 C 0.4226(3) 0.61226(16) 1.00755(11) 0.0380(8) Uani 1 1 d . . .
H25A H 0.4821 0.6240 0.9987 0.046 Uiso 1 1 calc R . .
C26 C 0.4141(3) 0.57736(18) 1.04654(13) 0.0531(11) Uani 1 1 d . . .
H26A H 0.4677 0.5646 1.0643 0.064 Uiso 1 1 calc R . .
C27 C 0.3273(4) 0.56071(19) 1.05999(13) 0.0605(13) Uani 1 1 d . . .
H27A H 0.3215 0.5362 1.0867 0.073 Uiso 1 1 calc R . .
C28 C 0.2497(3) 0.57960(18) 1.03465(12) 0.0506(11) Uani 1 1 d . . .
H28A H 0.1903 0.5693 1.0444 0.061 Uiso 1 1 calc R . .
C29 C 0.2579(3) 0.61389(15) 0.99467(11) 0.0359(8) Uani 1 1 d . . .
H29A H 0.2042 0.6260 0.9768 0.043 Uiso 1 1 calc R . .
C30 C 0.5253(2) 0.84113(14) 0.96958(10) 0.0251(6) Uani 1 1 d . . .
C31 C 0.5824(2) 0.89303(16) 0.96006(11) 0.0341(7) Uani 1 1 d . . .
H31A H 0.6076 0.8962 0.9313 0.041 Uiso 1 1 calc R . .
C32 C 0.6022(2) 0.93952(16) 0.99225(12) 0.0386(8) Uani 1 1 d . . .
H32A H 0.6408 0.9749 0.9856 0.046 Uiso 1 1 calc R . .
C33 C 0.5665(2) 0.93510(16) 1.03410(12) 0.0378(8) Uani 1 1 d . . .
H33A H 0.5794 0.9679 1.0560 0.045 Uiso 1 1 calc R . .
C34 C 0.5119(2) 0.88315(17) 1.04417(11) 0.0374(8) Uani 1 1 d . . .
H34A H 0.4886 0.8794 1.0733 0.045 Uiso 1 1 calc R . .
C35 C 0.4913(2) 0.83645(16) 1.01166(11) 0.0331(7) Uani 1 1 d . . .
H35A H 0.4533 0.8008 1.0185 0.040 Uiso 1 1 calc R . .
C36 C 0.5957(2) 0.73426(15) 0.91786(11) 0.0292(7) Uani 1 1 d . . .
C37 C 0.6525(2) 0.71615(16) 0.95506(12) 0.0376(8) Uani 1 1 d . . .
H37A H 0.6411 0.7328 0.9840 0.045 Uiso 1 1 calc R . .
C38 C 0.7251(3) 0.67426(18) 0.95039(13) 0.0467(9) Uani 1 1 d . . .
H38A H 0.7638 0.6622 0.9759 0.056 Uiso 1 1 calc R . .
C39 C 0.7413(3) 0.64999(19) 0.90816(14) 0.0483(10) Uani 1 1 d . . .
H39A H 0.7909 0.6208 0.9049 0.058 Uiso 1 1 calc R . .
C40 C 0.6862(2) 0.66779(18) 0.87099(13) 0.0445(9) Uani 1 1 d . . .
H40A H 0.6984 0.6514 0.8421 0.053 Uiso 1 1 calc R . .
C41 C 0.6129(2) 0.70965(17) 0.87558(11) 0.0350(7) Uani 1 1 d . . .
H41A H 0.5745 0.7216 0.8499 0.042 Uiso 1 1 calc R . .
C42 C 0.4618(2) 0.82641(16) 0.87638(11) 0.0321(7) Uani 1 1 d . . .
C43 C 0.5262(2) 0.85335(18) 0.84912(11) 0.0415(9) Uani 1 1 d . . .
H43A H 0.5902 0.8460 0.8556 0.050 Uiso 1 1 calc R . .
C44 C 0.4966(3) 0.8909(2) 0.81241(13) 0.0608(12) Uani 1 1 d . . .
H44A H 0.5404 0.9092 0.7936 0.073 Uiso 1 1 calc R . .
C45 C 0.4035(3) 0.9020(2) 0.80303(15) 0.0641(13) Uani 1 1 d . . .
H45A H 0.3838 0.9280 0.7779 0.077 Uiso 1 1 calc R . .
C46 C 0.3393(3) 0.8755(2) 0.82976(14) 0.0544(11) Uani 1 1 d . . .
H46A H 0.2754 0.8830 0.8231 0.065 Uiso 1 1 calc R . .
C47 C 0.3684(2) 0.83779(17) 0.86651(12) 0.0395(8) Uani 1 1 d . . .
H47A H 0.3242 0.8196 0.8851 0.047 Uiso 1 1 calc R . .
P3 P 0.23483(6) 0.59777(4) 0.76618(3) 0.03302(19) Uani 1 1 d D . .
O1 O 0.2782(5) 0.6575(3) 0.7406(2) 0.0531(10) Uani 0.393(3) 1 d PD A 1
O2 O 0.2499(4) 0.5455(3) 0.72416(19) 0.0390(8) Uani 0.393(3) 1 d PD A 1
O3 O 0.1279(4) 0.6036(4) 0.7571(2) 0.0414(10) Uani 0.393(3) 1 d PD A 1
C48 C 0.264(6) 0.7216(13) 0.757(2) 0.073(5) Uani 0.393(3) 1 d PD A 1
H48A H 0.2124 0.7416 0.7388 0.109 Uiso 0.393(3) 1 calc PR A 1
H48B H 0.3199 0.7472 0.7536 0.109 Uiso 0.393(3) 1 calc PR A 1
H48C H 0.2495 0.7199 0.7884 0.109 Uiso 0.393(3) 1 calc PR A 1
C49 C 0.337(3) 0.522(2) 0.7108(18) 0.048(3) Uani 0.393(3) 1 d PD A 1
H49A H 0.3827 0.5567 0.7146 0.072 Uiso 0.393(3) 1 calc PR A 1
H49B H 0.3305 0.5091 0.6791 0.072 Uiso 0.393(3) 1 calc PR A 1
H49C H 0.3559 0.4852 0.7296 0.072 Uiso 0.393(3) 1 calc PR A 1
C50 C 0.0866(12) 0.6170(8) 0.7122(4) 0.061(3) Uani 0.393(3) 1 d PD A 1
H50A H 0.1298 0.6423 0.6952 0.091 Uiso 0.393(3) 1 calc PR A 1
H50B H 0.0295 0.6415 0.7146 0.091 Uiso 0.393(3) 1 calc PR A 1
H50C H 0.0729 0.5761 0.6965 0.091 Uiso 0.393(3) 1 calc PR A 1
O1' O 0.2056(4) 0.6729(2) 0.75441(14) 0.0531(10) Uani 0.607(3) 1 d PD A 2
O2' O 0.2939(3) 0.5867(2) 0.72433(12) 0.0390(8) Uani 0.607(3) 1 d PD A 2
O3' O 0.1361(3) 0.5663(2) 0.75156(15) 0.0414(10) Uani 0.607(3) 1 d PD A 2
C48' C 0.266(4) 0.7254(9) 0.7659(13) 0.073(5) Uani 0.607(3) 1 d PD A 2
H48D H 0.2719 0.7303 0.7988 0.109 Uiso 0.607(3) 1 calc PR A 2
H48E H 0.2409 0.7653 0.7523 0.109 Uiso 0.607(3) 1 calc PR A 2
H48F H 0.3268 0.7168 0.7547 0.109 Uiso 0.607(3) 1 calc PR A 2
C49' C 0.3176(15) 0.5223(13) 0.7123(11) 0.048(3) Uani 0.607(3) 1 d PD A 2
H49D H 0.3329 0.4972 0.7398 0.072 Uiso 0.607(3) 1 calc PR A 2
H49E H 0.3710 0.5233 0.6937 0.072 Uiso 0.607(3) 1 calc PR A 2
H49F H 0.2653 0.5022 0.6953 0.072 Uiso 0.607(3) 1 calc PR A 2
C50' C 0.0899(8) 0.5806(4) 0.7081(3) 0.061(3) Uani 0.607(3) 1 d PD A 2
H50D H 0.0616 0.6235 0.7090 0.091 Uiso 0.607(3) 1 calc PR A 2
H50E H 0.0421 0.5481 0.7011 0.091 Uiso 0.607(3) 1 calc PR A 2
H50F H 0.1349 0.5798 0.6848 0.091 Uiso 0.607(3) 1 calc PR A 2
O4 O 0.5214(9) 0.4064(4) 0.7444(6) 0.106(5) Uani 0.50 1 d PDU B -3
C51 C 0.5329(13) 0.3572(9) 0.7786(6) 0.116(7) Uani 0.50 1 d PDU B -3
H51A H 0.5097 0.3729 0.8073 0.140 Uiso 0.50 1 calc PR B -3
H51B H 0.5989 0.3461 0.7839 0.140 Uiso 0.50 1 calc PR B -3
C52 C 0.4811(9) 0.3012(4) 0.7629(4) 0.081(3) Uani 0.50 1 d PDU B -3
H52A H 0.4452 0.2824 0.7870 0.097 Uiso 0.50 1 calc PR B -3
H52B H 0.5217 0.2676 0.7510 0.097 Uiso 0.50 1 calc PR B -3
C53 C 0.4149(9) 0.3329(7) 0.7234(4) 0.092(4) Uani 0.50 1 d PDU B -3
H53A H 0.3940 0.3003 0.7006 0.110 Uiso 0.50 1 calc PR B -3
H53B H 0.3604 0.3538 0.7356 0.110 Uiso 0.50 1 calc PR B -3
C54 C 0.4745(12) 0.3788(6) 0.7052(5) 0.084(5) Uani 0.50 1 d PDU B -3
H54A H 0.4391 0.4121 0.6876 0.101 Uiso 0.50 1 calc PR B -3
H54B H 0.5184 0.3578 0.6857 0.101 Uiso 0.50 1 calc PR B -3

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ta1 0.01798(6) 0.02419(6) 0.02181(6) 0.00025(5) 0.00084(4) -0.00127(5)
P1 0.0230(4) 0.0234(4) 0.0234(4) 0.0008(3) 0.0018(3) -0.0036(3)
P2 0.0241(4) 0.0265(4) 0.0253(4) -0.0001(3) 0.0018(3) -0.0059(3)
N1 0.0278(13) 0.0265(13) 0.0284(14) -0.0015(11) 0.0020(11) -0.0067(11)
C1 0.0305(17) 0.0355(18) 0.0334(18) -0.0023(14) -0.0027(14) -0.0053(14)
C2 0.0228(16) 0.0325(18) 0.060(2) 0.0117(16) 0.0006(15) -0.0052(13)
C3 0.0363(18) 0.0264(16) 0.053(2) 0.0032(15) 0.0222(16) -0.0022(14)
C4 0.0429(19) 0.0281(17) 0.0305(17) -0.0013(13) 0.0095(15) -0.0074(14)
C5 0.041(2) 0.039(2) 0.048(2) 0.0129(17) 0.0048(17) -0.0062(16)
C6 0.043(2) 0.036(2) 0.085(3) 0.023(2) 0.012(2) 0.0055(17)
C7 0.042(2) 0.0282(19) 0.082(3) 0.004(2) 0.022(2) 0.0034(16)
C8 0.040(2) 0.0354(19) 0.060(3) -0.0103(17) 0.0152(18) -0.0070(16)
C9 0.0231(15) 0.0291(16) 0.046(2) -0.0040(14) 0.0070(14) -0.0070(12)
C10 0.0267(15) 0.0292(16) 0.0416(18) 0.0048(15) 0.0080(13) -0.0068(13)
C11 0.0208(14) 0.0275(15) 0.0245(15) 0.0032(12) 0.0006(11) 0.0000(12)
C12 0.0183(14) 0.0307(16) 0.0270(16) 0.0036(12) 0.0025(12) -0.0016(12)
C13 0.0243(16) 0.046(2) 0.0246(16) 0.0033(14) 0.0010(12) -0.0041(14)
C14 0.0227(15) 0.0381(17) 0.0311(17) -0.0068(14) 0.0040(13) -0.0021(13)
C15 0.0225(15) 0.0281(16) 0.0335(17) -0.0022(13) 0.0009(13) 0.0012(12)
C16 0.0263(15) 0.0307(16) 0.0327(16) 0.0028(14) 0.0006(12) 0.0017(13)
C17 0.0211(14) 0.0273(16) 0.0283(16) 0.0047(13) 0.0039(12) -0.0016(12)
C18 0.0233(14) 0.0258(15) 0.0240(15) 0.0036(12) 0.0015(12) -0.0034(12)
C19 0.0232(15) 0.0387(18) 0.0336(18) -0.0020(14) -0.0020(13) 0.0009(13)
C20 0.0237(16) 0.043(2) 0.045(2) 0.0045(16) 0.0030(14) 0.0066(14)
C22 0.0348(18) 0.0306(18) 0.050(2) -0.0022(15) 0.0117(16) 0.0054(14)
C23 0.0312(17) 0.0274(16) 0.0359(18) -0.0014(14) 0.0074(14) -0.0022(13)
C24 0.0379(17) 0.0223(15) 0.0244(15) -0.0026(12) 0.0029(13) -0.0059(13)
C25 0.050(2) 0.0348(18) 0.0282(17) 0.0023(14) -0.0053(15) -0.0024(16)
C26 0.080(3) 0.043(2) 0.036(2) 0.0038(17) -0.009(2) 0.003(2)
C27 0.113(4) 0.038(2) 0.031(2) 0.0091(17) 0.008(2) -0.016(2)
C28 0.078(3) 0.043(2) 0.033(2) -0.0074(16) 0.022(2) -0.026(2)
C29 0.049(2) 0.0290(17) 0.0308(17) -0.0061(14) 0.0084(15) -0.0115(15)
C30 0.0232(15) 0.0223(15) 0.0300(16) -0.0014(12) 0.0026(12) -0.0015(12)
C31 0.0379(18) 0.0342(18) 0.0305(17) 0.0005(14) 0.0050(14) -0.0091(14)
C32 0.046(2) 0.0308(18) 0.0393(19) -0.0011(15) 0.0006(15) -0.0137(15)
C33 0.0400(19) 0.0315(17) 0.0417(19) -0.0107(16) 0.0000(15) 0.0011(15)
C34 0.0376(19) 0.045(2) 0.0300(18) -0.0051(15) 0.0089(14) -0.0001(16)
C35 0.0305(17) 0.0334(18) 0.0360(18) 0.0004(14) 0.0053(14) -0.0070(14)
C36 0.0261(15) 0.0294(16) 0.0322(17) -0.0009(13) 0.0034(13) -0.0047(13)
C37 0.0403(19) 0.0392(19) 0.0332(18) -0.0034(15) 0.0017(15) 0.0054(15)
C38 0.043(2) 0.046(2) 0.050(2) -0.0005(18) -0.0048(17) 0.0101(17)
C39 0.038(2) 0.043(2) 0.064(3) -0.0094(19) 0.0065(19) 0.0064(17)
C40 0.0354(19) 0.051(2) 0.048(2) -0.0158(18) 0.0113(17) -0.0048(17)
C41 0.0291(17) 0.046(2) 0.0296(17) -0.0065(15) 0.0029(13) -0.0074(15)
C42 0.0349(17) 0.0339(17) 0.0270(16) 0.0029(13) -0.0024(13) -0.0086(14)
C43 0.0363(19) 0.057(2) 0.0307(18) 0.0065(16) -0.0031(15) -0.0172(17)
C44 0.060(3) 0.087(3) 0.034(2) 0.024(2) -0.0052(19) -0.028(2)
C45 0.065(3) 0.075(3) 0.050(3) 0.031(2) -0.018(2) -0.016(2)
C46 0.042(2) 0.059(3) 0.061(3) 0.024(2) -0.0111(19) -0.0048(19)
C47 0.0325(18) 0.0391(19) 0.046(2) 0.0094(16) -0.0025(15) -0.0071(15)
P3 0.0318(4) 0.0413(5) 0.0253(4) 0.0030(4) -0.0032(3) 0.0010(4)
O1 0.077(3) 0.043(2) 0.037(2) 0.0067(17) -0.009(2) 0.013(2)
O2 0.043(2) 0.048(2) 0.0263(16) 0.0002(16) 0.0044(15) -0.0013(15)
O3 0.0309(16) 0.062(3) 0.0305(18) -0.002(2) -0.0064(13) 0.006(2)
C48 0.099(5) 0.047(3) 0.068(16) 0.021(3) -0.028(10) -0.006(4)
C49 0.041(9) 0.061(3) 0.042(3) -0.012(2) 0.004(7) 0.005(5)
C50 0.047(3) 0.095(8) 0.038(3) 0.003(5) -0.021(2) 0.012(6)
O1' 0.077(3) 0.043(2) 0.037(2) 0.0067(17) -0.009(2) 0.013(2)
O2' 0.043(2) 0.048(2) 0.0263(16) 0.0002(16) 0.0044(15) -0.0013(15)
O3' 0.0309(16) 0.062(3) 0.0305(18) -0.002(2) -0.0064(13) 0.006(2)
C48' 0.099(5) 0.047(3) 0.068(16) 0.021(3) -0.028(10) -0.006(4)
C49' 0.041(9) 0.061(3) 0.042(3) -0.012(2) 0.004(7) 0.005(5)
C50' 0.047(3) 0.095(8) 0.038(3) 0.003(5) -0.021(2) 0.012(6)
O4 0.128(13) 0.075(4) 0.116(9) -0.003(7) 0.009(8) -0.043(6)
C51 0.098(11) 0.155(17) 0.094(12) -0.013(11) -0.008(10) 0.065(11)
C52 0.105(9) 0.041(5) 0.102(10) 0.007(5) 0.049(7) 0.004(5)
C53 0.091(9) 0.104(10) 0.082(8) 0.006(7) 0.011(7) -0.024(7)
C54 0.098(9) 0.055(7) 0.106(11) -0.005(7) 0.055(9) -0.008(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ta1 C18 2.292(3) . ?
Ta1 C11 2.309(3) . ?
Ta1 C2 2.310(3) . ?
Ta1 C15 2.322(3) . ?
Ta1 C12 2.334(3) . ?
Ta1 C1 2.348(3) . ?
Ta1 C3 2.370(3) . ?
Ta1 C14 2.375(3) . ?
Ta1 C4 2.433(3) . ?
Ta1 C13 2.433(3) . ?
Ta1 P3 2.5641(8) . ?
P1 N1 1.618(3) . ?
P1 C11 1.741(3) . ?
P1 C17 1.791(3) . ?
P1 C24 1.806(3) . ?
P2 N1 1.575(3) . ?
P2 C30 1.806(3) . ?
P2 C36 1.808(3) . ?
P2 C42 1.811(3) . ?
C1 C2 1.468(5) . ?
C1 C9 1.469(5) . ?
C1 H1B 1.0000 . ?
C2 C3 1.381(5) . ?
C2 H2A 1.0000 . ?
C3 C4 1.417(5) . ?
C3 H3A 1.0000 . ?
C4 C10 1.476(4) . ?
C4 H4B 1.0000 . ?
C5 C10 1.390(5) . ?
C5 C6 1.404(5) . ?
C5 H5A 0.9500 . ?
C6 C7 1.358(6) . ?
C6 H6A 0.9500 . ?
C7 C8 1.398(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.386(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.403(5) . ?
C11 C12 1.455(4) . ?
C11 C16 1.523(4) . ?
C12 C13 1.405(4) . ?
C12 H12A 1.0000 . ?
C13 C14 1.409(5) . ?
C13 H13A 1.0000 . ?
C14 C15 1.415(4) . ?
C14 H14A 1.0000 . ?
C15 C16 1.521(4) . ?
C15 H15A 1.0000 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C23 1.397(4) . ?
C17 C18 1.417(4) . ?
C18 C19 1.418(4) . ?
C19 C20 1.384(4) . ?
C19 H19A 0.9500 . ?
C20 C22 1.390(5) . ?
C20 H20A 0.9500 . ?
C22 C23 1.379(5) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.387(5) . ?
C24 C29 1.394(4) . ?
C25 C26 1.376(5) . ?
C25 H25A 0.9500 . ?
C26 C27 1.390(6) . ?
C26 H26A 0.9500 . ?
C27 C28 1.373(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.394(5) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C35 1.375(4) . ?
C30 C31 1.396(4) . ?
C31 C32 1.374(5) . ?
C31 H31A 0.9500 . ?
C32 C33 1.379(5) . ?
C32 H32A 0.9500 . ?
C33 C34 1.379(5) . ?
C33 H33A 0.9500 . ?
C34 C35 1.386(5) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 C37 1.389(4) . ?
C36 C41 1.392(4) . ?
C37 C38 1.379(5) . ?
C37 H37A 0.9500 . ?
C38 C39 1.384(5) . ?
C38 H38A 0.9500 . ?
C39 C40 1.374(5) . ?
C39 H39A 0.9500 . ?
C40 C41 1.385(5) . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9500 . ?
C42 C47 1.390(5) . ?
C42 C43 1.391(4) . ?
C43 C44 1.386(5) . ?
C43 H43A 0.9500 . ?
C44 C45 1.383(6) . ?
C44 H44A 0.9500 . ?
C45 C46 1.375(6) . ?
C45 H45A 0.9500 . ?
C46 C47 1.387(5) . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9500 . ?
P3 O3 1.565(6) . ?
P3 O2' 1.570(4) . ?
P3 O1 1.601(6) . ?
P3 O3' 1.611(4) . ?
P3 O1' 1.644(4) . ?
P3 O2 1.676(6) . ?
O1 C48 1.43(3) . ?
O2 C49 1.43(2) . ?
O3 C50 1.456(12) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
O1' C48' 1.43(3) . ?
O2' C49' 1.427(19) . ?
O3' C50' 1.448(7) . ?
C48' H48D 0.9800 . ?
C48' H48E 0.9800 . ?
C48' H48F 0.9800 . ?
C49' H49D 0.9800 . ?
C49' H49E 0.9800 . ?
C49' H49F 0.9800 . ?
C50' H50D 0.9800 . ?
C50' H50E 0.9800 . ?
C50' H50F 0.9800 . ?
O4 C54 1.431(14) . ?
O4 C51 1.440(13) . ?
C51 C52 1.443(18) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.610(18) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.414(15) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?

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
C18 Ta1 C11 77.51(10) . . ?
C18 Ta1 C2 88.36(11) . . ?
C11 Ta1 C2 147.35(12) . . ?
C18 Ta1 C15 138.26(11) . . ?
C11 Ta1 C15 61.75(10) . . ?
C2 Ta1 C15 120.99(12) . . ?
C18 Ta1 C12 79.50(10) . . ?
C11 Ta1 C12 36.53(10) . . ?
C2 Ta1 C12 165.69(11) . . ?
C15 Ta1 C12 73.32(11) . . ?
C18 Ta1 C1 124.70(11) . . ?
C11 Ta1 C1 148.91(11) . . ?
C2 Ta1 C1 36.72(12) . . ?
C15 Ta1 C1 90.87(11) . . ?
C12 Ta1 C1 152.96(11) . . ?
C18 Ta1 C3 74.62(11) . . ?
C11 Ta1 C3 113.05(12) . . ?
C2 Ta1 C3 34.30(12) . . ?
C15 Ta1 C3 112.01(12) . . ?
C12 Ta1 C3 144.68(11) . . ?
C1 Ta1 C3 61.45(12) . . ?
C18 Ta1 C14 141.46(11) . . ?
C11 Ta1 C14 73.98(10) . . ?
C2 Ta1 C14 128.94(12) . . ?
C15 Ta1 C14 35.03(11) . . ?
C12 Ta1 C14 62.16(11) . . ?
C1 Ta1 C14 92.25(11) . . ?
C3 Ta1 C14 140.99(12) . . ?
C18 Ta1 C4 95.01(10) . . ?
C11 Ta1 C4 91.70(11) . . ?
C2 Ta1 C4 60.03(12) . . ?
C15 Ta1 C4 78.39(11) . . ?
C12 Ta1 C4 128.13(11) . . ?
C1 Ta1 C4 66.97(11) . . ?
C3 Ta1 C4 34.29(12) . . ?
C14 Ta1 C4 111.09(11) . . ?
C18 Ta1 C13 108.80(11) . . ?
C11 Ta1 C13 62.73(10) . . ?
C2 Ta1 C13 149.67(12) . . ?
C15 Ta1 C13 61.31(11) . . ?
C12 Ta1 C13 34.21(10) . . ?
C1 Ta1 C13 118.86(11) . . ?
C3 Ta1 C13 173.03(12) . . ?
C14 Ta1 C13 34.04(11) . . ?
C4 Ta1 C13 138.75(11) . . ?
C18 Ta1 P3 86.05(7) . . ?
C11 Ta1 P3 126.21(7) . . ?
C2 Ta1 P3 81.10(9) . . ?
C15 Ta1 P3 124.55(8) . . ?
C12 Ta1 P3 90.45(7) . . ?
C1 Ta1 P3 80.49(8) . . ?
C3 Ta1 P3 111.01(10) . . ?
C14 Ta1 P3 90.28(8) . . ?
C4 Ta1 P3 141.02(8) . . ?
C13 Ta1 P3 75.56(8) . . ?
N1 P1 C11 120.00(14) . . ?
N1 P1 C17 110.15(14) . . ?
C11 P1 C17 103.88(14) . . ?
N1 P1 C24 104.95(14) . . ?
C11 P1 C24 108.78(14) . . ?
C17 P1 C24 108.79(14) . . ?
N1 P2 C30 106.71(14) . . ?
N1 P2 C36 113.99(14) . . ?
C30 P2 C36 107.41(14) . . ?
N1 P2 C42 113.96(14) . . ?
C30 P2 C42 105.55(14) . . ?
C36 P2 C42 108.65(15) . . ?
P2 N1 P1 134.70(17) . . ?
C2 C1 C9 114.8(3) . . ?
C2 C1 Ta1 70.25(18) . . ?
C9 C1 Ta1 111.4(2) . . ?
C2 C1 H1B 117.3 . . ?
C9 C1 H1B 117.3 . . ?
Ta1 C1 H1B 117.3 . . ?
C3 C2 C1 115.5(3) . . ?
C3 C2 Ta1 75.20(19) . . ?
C1 C2 Ta1 73.03(18) . . ?
C3 C2 H2A 122.2 . . ?
C1 C2 H2A 122.2 . . ?
Ta1 C2 H2A 122.2 . . ?
C2 C3 C4 116.1(3) . . ?
C2 C3 Ta1 70.50(18) . . ?
C4 C3 Ta1 75.29(18) . . ?
C2 C3 H3A 121.9 . . ?
C4 C3 H3A 121.9 . . ?
Ta1 C3 H3A 121.9 . . ?
C3 C4 C10 116.4(3) . . ?
C3 C4 Ta1 70.42(18) . . ?
C10 C4 Ta1 107.9(2) . . ?
C3 C4 H4B 117.6 . . ?
C10 C4 H4B 117.6 . . ?
Ta1 C4 H4B 117.6 . . ?
C10 C5 C6 119.6(4) . . ?
C10 C5 H5A 120.2 . . ?
C6 C5 H5A 120.2 . . ?
C7 C6 C5 120.1(4) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C6 C7 C8 120.6(4) . . ?
C6 C7 H7A 119.7 . . ?
C8 C7 H7A 119.7 . . ?
C9 C8 C7 120.3(4) . . ?
C9 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
C8 C9 C10 119.0(3) . . ?
C8 C9 C1 126.3(3) . . ?
C10 C9 C1 114.7(3) . . ?
C5 C10 C9 120.2(3) . . ?
C5 C10 C4 124.9(3) . . ?
C9 C10 C4 114.9(3) . . ?
C12 C11 C16 115.7(3) . . ?
C12 C11 P1 115.8(2) . . ?
C16 C11 P1 125.9(2) . . ?
C12 C11 Ta1 72.66(16) . . ?
C16 C11 Ta1 95.24(18) . . ?
P1 C11 Ta1 114.58(14) . . ?
C13 C12 C11 119.4(3) . . ?
C13 C12 Ta1 76.76(18) . . ?
C11 C12 Ta1 70.80(16) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
Ta1 C12 H12A 120.2 . . ?
C12 C13 C14 119.5(3) . . ?
C12 C13 Ta1 69.02(17) . . ?
C14 C13 Ta1 70.72(17) . . ?
C12 C13 H13A 119.3 . . ?
C14 C13 H13A 119.3 . . ?
Ta1 C13 H13A 119.3 . . ?
C13 C14 C15 118.5(3) . . ?
C13 C14 Ta1 75.24(18) . . ?
C15 C14 Ta1 70.44(17) . . ?
C13 C14 H14A 120.6 . . ?
C15 C14 H14A 120.6 . . ?
Ta1 C14 H14A 120.6 . . ?
C14 C15 C16 118.1(3) . . ?
C14 C15 Ta1 74.53(17) . . ?
C16 C15 Ta1 94.78(18) . . ?
C14 C15 H15A 119.1 . . ?
C16 C15 H15A 119.1 . . ?
Ta1 C15 H15A 119.1 . . ?
C15 C16 C11 102.6(2) . . ?
C15 C16 H16A 111.2 . . ?
C11 C16 H16A 111.2 . . ?
C15 C16 H16B 111.2 . . ?
C11 C16 H16B 111.2 . . ?
H16A C16 H16B 109.2 . . ?
C23 C17 C18 124.2(3) . . ?
C23 C17 P1 120.5(2) . . ?
C18 C17 P1 115.3(2) . . ?
C17 C18 C19 112.9(3) . . ?
C17 C18 Ta1 122.3(2) . . ?
C19 C18 Ta1 124.7(2) . . ?
C20 C19 C18 123.5(3) . . ?
C20 C19 H19A 118.3 . . ?
C18 C19 H19A 118.3 . . ?
C19 C20 C22 121.0(3) . . ?
C19 C20 H20A 119.5 . . ?
C22 C20 H20A 119.5 . . ?
C23 C22 C20 118.3(3) . . ?
C23 C22 H22A 120.8 . . ?
C20 C22 H22A 120.8 . . ?
C22 C23 C17 120.0(3) . . ?
C22 C23 H23A 120.0 . . ?
C17 C23 H23A 120.0 . . ?
C25 C24 C29 119.3(3) . . ?
C25 C24 P1 119.5(2) . . ?
C29 C24 P1 121.2(3) . . ?
C26 C25 C24 120.6(4) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C25 C26 C27 120.0(4) . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C28 C27 C26 120.1(4) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28A 119.9 . . ?
C29 C28 H28A 119.9 . . ?
C24 C29 C28 119.9(4) . . ?
C24 C29 H29A 120.1 . . ?
C28 C29 H29A 120.1 . . ?
C35 C30 C31 119.3(3) . . ?
C35 C30 P2 119.7(2) . . ?
C31 C30 P2 121.0(2) . . ?
C32 C31 C30 119.9(3) . . ?
C32 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C31 C32 C33 120.4(3) . . ?
C31 C32 H32A 119.8 . . ?
C33 C32 H32A 119.8 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33A 120.0 . . ?
C32 C33 H33A 120.0 . . ?
C33 C34 C35 119.7(3) . . ?
C33 C34 H34A 120.2 . . ?
C35 C34 H34A 120.2 . . ?
C30 C35 C34 120.7(3) . . ?
C30 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C37 C36 C41 119.2(3) . . ?
C37 C36 P2 118.4(2) . . ?
C41 C36 P2 121.9(3) . . ?
C38 C37 C36 120.7(3) . . ?
C38 C37 H37A 119.7 . . ?
C36 C37 H37A 119.7 . . ?
C37 C38 C39 119.5(4) . . ?
C37 C38 H38A 120.3 . . ?
C39 C38 H38A 120.3 . . ?
C40 C39 C38 120.6(3) . . ?
C40 C39 H39A 119.7 . . ?
C38 C39 H39A 119.7 . . ?
C39 C40 C41 120.1(3) . . ?
C39 C40 H40A 119.9 . . ?
C41 C40 H40A 119.9 . . ?
C40 C41 C36 119.9(3) . . ?
C40 C41 H41A 120.0 . . ?
C36 C41 H41A 120.0 . . ?
C47 C42 C43 119.5(3) . . ?
C47 C42 P2 117.4(3) . . ?
C43 C42 P2 123.0(3) . . ?
C44 C43 C42 119.7(3) . . ?
C44 C43 H43A 120.2 . . ?
C42 C43 H43A 120.2 . . ?
C45 C44 C43 120.3(4) . . ?
C45 C44 H44A 119.9 . . ?
C43 C44 H44A 119.9 . . ?
C46 C45 C44 120.5(4) . . ?
C46 C45 H45A 119.7 . . ?
C44 C45 H45A 119.7 . . ?
C45 C46 C47 119.5(4) . . ?
C45 C46 H46A 120.2 . . ?
C47 C46 H46A 120.2 . . ?
C46 C47 C42 120.6(3) . . ?
C46 C47 H47A 119.7 . . ?
C42 C47 H47A 119.7 . . ?
O3 P3 O2' 117.4(3) . . ?
O3 P3 O1 105.9(4) . . ?
O2' P3 O1 59.1(3) . . ?
O3 P3 O3' 29.1(3) . . ?
O2' P3 O3' 104.4(2) . . ?
O1 P3 O3' 123.6(3) . . ?
O3 P3 O1' 69.5(3) . . ?
O2' P3 O1' 96.7(2) . . ?
O1 P3 O1' 43.3(3) . . ?
O3' P3 O1' 96.4(2) . . ?
O3 P3 O2 95.4(3) . . ?
O2' P3 O2 38.2(2) . . ?
O1 P3 O2 94.1(3) . . ?
O3' P3 O2 72.1(3) . . ?
O1' P3 O2 119.7(3) . . ?
O3 P3 Ta1 118.1(3) . . ?
O2' P3 Ta1 121.01(15) . . ?
O1 P3 Ta1 120.1(2) . . ?
O3' P3 Ta1 114.16(17) . . ?
O1' P3 Ta1 120.15(16) . . ?
O2 P3 Ta1 118.3(2) . . ?
C48 O1 P3 119(3) . . ?
C49 O2 P3 126(2) . . ?
C50 O3 P3 121.4(9) . . ?
C48' O1' P3 121.5(17) . . ?
C49' O2' P3 119.1(13) . . ?
C50' O3' P3 120.9(6) . . ?
O1' C48' H48D 109.5 . . ?
O1' C48' H48E 109.5 . . ?
H48D C48' H48E 109.5 . . ?
O1' C48' H48F 109.5 . . ?
H48D C48' H48F 109.5 . . ?
H48E C48' H48F 109.5 . . ?
O2' C49' H49D 109.5 . . ?
O2' C49' H49E 109.5 . . ?
H49D C49' H49E 109.5 . . ?
O2' C49' H49F 109.5 . . ?
H49D C49' H49F 109.5 . . ?
H49E C49' H49F 109.5 . . ?
O3' C50' H50D 109.5 . . ?
O3' C50' H50E 109.5 . . ?
H50D C50' H50E 109.5 . . ?
O3' C50' H50F 109.5 . . ?
H50D C50' H50F 109.5 . . ?
H50E C50' H50F 109.5 . . ?
C54 O4 C51 108.7(11) . . ?
O4 C51 C52 107.7(11) . . ?
O4 C51 H51A 110.2 . . ?
C52 C51 H51A 110.2 . . ?
O4 C51 H51B 110.2 . . ?
C52 C51 H51B 110.2 . . ?
H51A C51 H51B 108.5 . . ?
C51 C52 C53 100.7(9) . . ?
C51 C52 H52A 111.6 . . ?
C53 C52 H52A 111.6 . . ?
C51 C52 H52B 111.6 . . ?
C53 C52 H52B 111.6 . . ?
H52A C52 H52B 109.4 . . ?
C54 C53 C52 101.4(10) . . ?
C54 C53 H53A 111.5 . . ?
C52 C53 H53A 111.5 . . ?
C54 C53 H53B 111.5 . . ?
C52 C53 H53B 111.5 . . ?
H53A C53 H53B 109.3 . . ?
C53 C54 O4 103.3(10) . . ?
C53 C54 H54A 111.1 . . ?
O4 C54 H54A 111.1 . . ?
C53 C54 H54B 111.1 . . ?
O4 C54 H54B 111.1 . . ?
H54A C54 H54B 109.1 . . ?

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
C30 P2 N1 P1 -171.2(2) . . . . ?
C36 P2 N1 P1 -52.8(3) . . . . ?
C42 P2 N1 P1 72.7(3) . . . . ?
C11 P1 N1 P2 15.2(3) . . . . ?
C17 P1 N1 P2 -105.3(2) . . . . ?
C24 P1 N1 P2 137.8(2) . . . . ?
C18 Ta1 C1 C2 -9.4(2) . . . . ?
C11 Ta1 C1 C2 120.3(2) . . . . ?
C15 Ta1 C1 C2 147.2(2) . . . . ?
C12 Ta1 C1 C2 -159.7(2) . . . . ?
C3 Ta1 C1 C2 32.49(19) . . . . ?
C14 Ta1 C1 C2 -177.7(2) . . . . ?
C4 Ta1 C1 C2 70.2(2) . . . . ?
C13 Ta1 C1 C2 -155.44(19) . . . . ?
P3 Ta1 C1 C2 -87.84(19) . . . . ?
C18 Ta1 C1 C9 -119.2(2) . . . . ?
C11 Ta1 C1 C9 10.5(4) . . . . ?
C2 Ta1 C1 C9 -109.8(3) . . . . ?
C15 Ta1 C1 C9 37.5(2) . . . . ?
C12 Ta1 C1 C9 90.5(3) . . . . ?
C3 Ta1 C1 C9 -77.3(2) . . . . ?
C14 Ta1 C1 C9 72.5(2) . . . . ?
C4 Ta1 C1 C9 -39.5(2) . . . . ?
C13 Ta1 C1 C9 94.8(2) . . . . ?
P3 Ta1 C1 C9 162.4(2) . . . . ?
C9 C1 C2 C3 41.3(4) . . . . ?
Ta1 C1 C2 C3 -63.8(3) . . . . ?
C9 C1 C2 Ta1 105.1(3) . . . . ?
C18 Ta1 C2 C3 -64.6(2) . . . . ?
C11 Ta1 C2 C3 -1.1(3) . . . . ?
C15 Ta1 C2 C3 84.0(2) . . . . ?
C12 Ta1 C2 C3 -96.4(5) . . . . ?
C1 Ta1 C2 C3 123.1(3) . . . . ?
C14 Ta1 C2 C3 126.0(2) . . . . ?
C4 Ta1 C2 C3 32.12(19) . . . . ?
C13 Ta1 C2 C3 169.3(2) . . . . ?
P3 Ta1 C2 C3 -150.9(2) . . . . ?
C18 Ta1 C2 C1 172.2(2) . . . . ?
C11 Ta1 C2 C1 -124.2(2) . . . . ?
C15 Ta1 C2 C1 -39.1(2) . . . . ?
C12 Ta1 C2 C1 140.5(4) . . . . ?
C3 Ta1 C2 C1 -123.1(3) . . . . ?
C14 Ta1 C2 C1 2.9(3) . . . . ?
C4 Ta1 C2 C1 -91.0(2) . . . . ?
C13 Ta1 C2 C1 46.1(3) . . . . ?
P3 Ta1 C2 C1 85.99(19) . . . . ?
C1 C2 C3 C4 0.8(4) . . . . ?
Ta1 C2 C3 C4 -61.7(3) . . . . ?
C1 C2 C3 Ta1 62.6(2) . . . . ?
C18 Ta1 C3 C2 110.5(2) . . . . ?
C11 Ta1 C3 C2 179.36(19) . . . . ?
C15 Ta1 C3 C2 -113.1(2) . . . . ?
C12 Ta1 C3 C2 154.8(2) . . . . ?
C1 Ta1 C3 C2 -34.75(19) . . . . ?
C14 Ta1 C3 C2 -87.8(3) . . . . ?
C4 Ta1 C3 C2 -125.2(3) . . . . ?
C13 Ta1 C3 C2 -129.2(9) . . . . ?
P3 Ta1 C3 C2 31.0(2) . . . . ?
C18 Ta1 C3 C4 -124.3(2) . . . . ?
C11 Ta1 C3 C4 -55.5(2) . . . . ?
C2 Ta1 C3 C4 125.2(3) . . . . ?
C15 Ta1 C3 C4 12.0(2) . . . . ?
C12 Ta1 C3 C4 -80.0(3) . . . . ?
C1 Ta1 C3 C4 90.4(2) . . . . ?
C14 Ta1 C3 C4 37.3(3) . . . . ?
C13 Ta1 C3 C4 -4.0(10) . . . . ?
P3 Ta1 C3 C4 156.17(17) . . . . ?
C2 C3 C4 C10 -41.7(4) . . . . ?
Ta1 C3 C4 C10 -100.9(3) . . . . ?
C2 C3 C4 Ta1 59.1(3) . . . . ?
C18 Ta1 C4 C3 53.1(2) . . . . ?
C11 Ta1 C4 C3 130.7(2) . . . . ?
C2 Ta1 C4 C3 -32.1(2) . . . . ?
C15 Ta1 C4 C3 -168.6(2) . . . . ?
C12 Ta1 C4 C3 133.6(2) . . . . ?
C1 Ta1 C4 C3 -72.6(2) . . . . ?
C14 Ta1 C4 C3 -155.8(2) . . . . ?
C13 Ta1 C4 C3 179.26(19) . . . . ?
P3 Ta1 C4 C3 -36.8(3) . . . . ?
C18 Ta1 C4 C10 165.4(2) . . . . ?
C11 Ta1 C4 C10 -116.9(2) . . . . ?
C2 Ta1 C4 C10 80.3(2) . . . . ?
C15 Ta1 C4 C10 -56.2(2) . . . . ?
C12 Ta1 C4 C10 -114.0(2) . . . . ?
C1 Ta1 C4 C10 39.7(2) . . . . ?
C3 Ta1 C4 C10 112.4(3) . . . . ?
C14 Ta1 C4 C10 -43.5(2) . . . . ?
C13 Ta1 C4 C10 -68.4(3) . . . . ?
P3 Ta1 C4 C10 75.5(3) . . . . ?
C10 C5 C6 C7 -1.6(6) . . . . ?
C5 C6 C7 C8 1.0(6) . . . . ?
C6 C7 C8 C9 1.0(6) . . . . ?
C7 C8 C9 C10 -2.2(5) . . . . ?
C7 C8 C9 C1 176.8(3) . . . . ?
C2 C1 C9 C8 138.5(3) . . . . ?
Ta1 C1 C9 C8 -144.1(3) . . . . ?
C2 C1 C9 C10 -42.5(4) . . . . ?
Ta1 C1 C9 C10 34.9(3) . . . . ?
C6 C5 C10 C9 0.4(5) . . . . ?
C6 C5 C10 C4 180.0(3) . . . . ?
C8 C9 C10 C5 1.5(5) . . . . ?
C1 C9 C10 C5 -177.6(3) . . . . ?
C8 C9 C10 C4 -178.1(3) . . . . ?
C1 C9 C10 C4 2.8(4) . . . . ?
C3 C4 C10 C5 -139.9(3) . . . . ?
Ta1 C4 C10 C5 143.5(3) . . . . ?
C3 C4 C10 C9 39.7(4) . . . . ?
Ta1 C4 C10 C9 -36.8(3) . . . . ?
N1 P1 C11 C12 -68.8(3) . . . . ?
C17 P1 C11 C12 54.7(2) . . . . ?
C24 P1 C11 C12 170.5(2) . . . . ?
N1 P1 C11 C16 92.3(3) . . . . ?
C17 P1 C11 C16 -144.2(3) . . . . ?
C24 P1 C11 C16 -28.4(3) . . . . ?
N1 P1 C11 Ta1 -150.60(14) . . . . ?
C17 P1 C11 Ta1 -27.07(17) . . . . ?
C24 P1 C11 Ta1 88.68(17) . . . . ?
C18 Ta1 C11 C12 -89.16(17) . . . . ?
C2 Ta1 C11 C12 -155.6(2) . . . . ?
C15 Ta1 C11 C12 100.24(19) . . . . ?
C1 Ta1 C11 C12 131.2(2) . . . . ?
C3 Ta1 C11 C12 -156.24(17) . . . . ?
C14 Ta1 C11 C12 64.62(17) . . . . ?
C4 Ta1 C11 C12 176.09(17) . . . . ?
C13 Ta1 C11 C12 29.89(17) . . . . ?
P3 Ta1 C11 C12 -13.62(19) . . . . ?
C18 Ta1 C11 C16 155.51(19) . . . . ?
C2 Ta1 C11 C16 89.1(3) . . . . ?
C15 Ta1 C11 C16 -15.09(17) . . . . ?
C12 Ta1 C11 C16 -115.3(2) . . . . ?
C1 Ta1 C11 C16 15.9(3) . . . . ?
C3 Ta1 C11 C16 88.43(19) . . . . ?
C14 Ta1 C11 C16 -50.72(18) . . . . ?
C4 Ta1 C11 C16 60.75(18) . . . . ?
C13 Ta1 C11 C16 -85.45(19) . . . . ?
P3 Ta1 C11 C16 -128.95(15) . . . . ?
C18 Ta1 C11 P1 21.88(14) . . . . ?
C2 Ta1 C11 P1 -44.5(3) . . . . ?
C15 Ta1 C11 P1 -148.72(19) . . . . ?
C12 Ta1 C11 P1 111.0(2) . . . . ?
C1 Ta1 C11 P1 -117.7(2) . . . . ?
C3 Ta1 C11 P1 -45.20(18) . . . . ?
C14 Ta1 C11 P1 175.65(18) . . . . ?
C4 Ta1 C11 P1 -72.88(16) . . . . ?
C13 Ta1 C11 P1 140.92(19) . . . . ?
P3 Ta1 C11 P1 97.42(14) . . . . ?
C16 C11 C12 C13 25.8(4) . . . . ?
P1 C11 C12 C13 -171.1(2) . . . . ?
Ta1 C11 C12 C13 -61.7(2) . . . . ?
C16 C11 C12 Ta1 87.5(2) . . . . ?
P1 C11 C12 Ta1 -109.46(18) . . . . ?
C18 Ta1 C12 C13 -148.82(19) . . . . ?
C11 Ta1 C12 C13 128.0(3) . . . . ?
C2 Ta1 C12 C13 -116.4(5) . . . . ?
C15 Ta1 C12 C13 63.21(19) . . . . ?
C1 Ta1 C12 C13 6.7(3) . . . . ?
C3 Ta1 C12 C13 167.9(2) . . . . ?
C14 Ta1 C12 C13 27.15(18) . . . . ?
C4 Ta1 C12 C13 123.06(19) . . . . ?
P3 Ta1 C12 C13 -62.92(17) . . . . ?
C18 Ta1 C12 C11 83.16(17) . . . . ?
C2 Ta1 C12 C11 115.5(5) . . . . ?
C15 Ta1 C12 C11 -64.82(17) . . . . ?
C1 Ta1 C12 C11 -121.3(2) . . . . ?
C3 Ta1 C12 C11 39.9(3) . . . . ?
C14 Ta1 C12 C11 -100.87(19) . . . . ?
C4 Ta1 C12 C11 -5.0(2) . . . . ?
C13 Ta1 C12 C11 -128.0(3) . . . . ?
P3 Ta1 C12 C11 169.05(16) . . . . ?
C11 C12 C13 C14 7.2(4) . . . . ?
Ta1 C12 C13 C14 -51.4(3) . . . . ?
C11 C12 C13 Ta1 58.6(2) . . . . ?
C18 Ta1 C13 C12 32.5(2) . . . . ?
C11 Ta1 C13 C12 -31.84(17) . . . . ?
C2 Ta1 C13 C12 154.0(2) . . . . ?
C15 Ta1 C13 C12 -102.9(2) . . . . ?
C1 Ta1 C13 C12 -176.52(17) . . . . ?
C3 Ta1 C13 C12 -85.9(10) . . . . ?
C14 Ta1 C13 C12 -133.9(3) . . . . ?
C4 Ta1 C13 C12 -89.3(2) . . . . ?
P3 Ta1 C13 C12 113.16(18) . . . . ?
C18 Ta1 C13 C14 166.41(18) . . . . ?
C11 Ta1 C13 C14 102.0(2) . . . . ?
C2 Ta1 C13 C14 -72.1(3) . . . . ?
C15 Ta1 C13 C14 30.99(18) . . . . ?
C12 Ta1 C13 C14 133.9(3) . . . . ?
C1 Ta1 C13 C14 -42.6(2) . . . . ?
C3 Ta1 C13 C14 48.0(10) . . . . ?
C4 Ta1 C13 C14 44.5(3) . . . . ?
P3 Ta1 C13 C14 -112.97(18) . . . . ?
C12 C13 C14 C15 -6.9(4) . . . . ?
Ta1 C13 C14 C15 -57.5(2) . . . . ?
C12 C13 C14 Ta1 50.7(3) . . . . ?
C18 Ta1 C14 C13 -20.9(3) . . . . ?
C11 Ta1 C14 C13 -64.75(18) . . . . ?
C2 Ta1 C14 C13 141.84(19) . . . . ?
C15 Ta1 C14 C13 -128.1(3) . . . . ?
C12 Ta1 C14 C13 -27.28(17) . . . . ?
C1 Ta1 C14 C13 143.57(19) . . . . ?
C3 Ta1 C14 C13 -171.8(2) . . . . ?
C4 Ta1 C14 C13 -150.29(18) . . . . ?
P3 Ta1 C14 C13 63.08(17) . . . . ?
C18 Ta1 C14 C15 107.2(2) . . . . ?
C11 Ta1 C14 C15 63.37(18) . . . . ?
C2 Ta1 C14 C15 -90.0(2) . . . . ?
C12 Ta1 C14 C15 100.8(2) . . . . ?
C1 Ta1 C14 C15 -88.31(19) . . . . ?
C3 Ta1 C14 C15 -43.7(3) . . . . ?
C4 Ta1 C14 C15 -22.2(2) . . . . ?
C13 Ta1 C14 C15 128.1(3) . . . . ?
P3 Ta1 C14 C15 -168.80(17) . . . . ?
C13 C14 C15 C16 -27.2(4) . . . . ?
Ta1 C14 C15 C16 -87.1(2) . . . . ?
C13 C14 C15 Ta1 60.0(3) . . . . ?
C18 Ta1 C15 C14 -116.6(2) . . . . ?
C11 Ta1 C15 C14 -102.7(2) . . . . ?
C2 Ta1 C15 C14 114.9(2) . . . . ?
C12 Ta1 C15 C14 -65.04(18) . . . . ?
C1 Ta1 C15 C14 92.67(19) . . . . ?
C3 Ta1 C15 C14 152.05(19) . . . . ?
C4 Ta1 C15 C14 158.9(2) . . . . ?
C13 Ta1 C15 C14 -30.14(18) . . . . ?
P3 Ta1 C15 C14 13.6(2) . . . . ?
C18 Ta1 C15 C16 1.3(3) . . . . ?
C11 Ta1 C15 C16 15.11(17) . . . . ?
C2 Ta1 C15 C16 -127.3(2) . . . . ?
C12 Ta1 C15 C16 52.81(18) . . . . ?
C1 Ta1 C15 C16 -149.47(19) . . . . ?
C3 Ta1 C15 C16 -90.1(2) . . . . ?
C14 Ta1 C15 C16 117.9(3) . . . . ?
C4 Ta1 C15 C16 -83.22(19) . . . . ?
C13 Ta1 C15 C16 87.7(2) . . . . ?
P3 Ta1 C15 C16 131.49(16) . . . . ?
C14 C15 C16 C11 54.1(3) . . . . ?
Ta1 C15 C16 C11 -20.9(2) . . . . ?
C12 C11 C16 C15 -52.2(3) . . . . ?
P1 C11 C16 C15 146.7(2) . . . . ?
Ta1 C11 C16 C15 21.0(2) . . . . ?
N1 P1 C17 C23 -34.4(3) . . . . ?
C11 P1 C17 C23 -164.1(2) . . . . ?
C24 P1 C17 C23 80.1(3) . . . . ?
N1 P1 C17 C18 148.0(2) . . . . ?
C11 P1 C17 C18 18.2(3) . . . . ?
C24 P1 C17 C18 -97.5(2) . . . . ?
C23 C17 C18 C19 -1.0(4) . . . . ?
P1 C17 C18 C19 176.6(2) . . . . ?
C23 C17 C18 Ta1 -179.1(2) . . . . ?
P1 C17 C18 Ta1 -1.6(3) . . . . ?
C11 Ta1 C18 C17 -11.6(2) . . . . ?
C2 Ta1 C18 C17 138.7(2) . . . . ?
C15 Ta1 C18 C17 0.8(3) . . . . ?
C12 Ta1 C18 C17 -48.9(2) . . . . ?
C1 Ta1 C18 C17 144.4(2) . . . . ?
C3 Ta1 C18 C17 106.8(3) . . . . ?
C14 Ta1 C18 C17 -54.6(3) . . . . ?
C4 Ta1 C18 C17 79.0(2) . . . . ?
C13 Ta1 C18 C17 -66.8(2) . . . . ?
P3 Ta1 C18 C17 -140.1(2) . . . . ?
C11 Ta1 C18 C19 170.5(3) . . . . ?
C2 Ta1 C18 C19 -39.2(3) . . . . ?
C15 Ta1 C18 C19 -177.1(2) . . . . ?
C12 Ta1 C18 C19 133.2(3) . . . . ?
C1 Ta1 C18 C19 -33.6(3) . . . . ?
C3 Ta1 C18 C19 -71.1(3) . . . . ?
C14 Ta1 C18 C19 127.5(3) . . . . ?
C4 Ta1 C18 C19 -98.9(3) . . . . ?
C13 Ta1 C18 C19 115.3(3) . . . . ?
P3 Ta1 C18 C19 42.0(2) . . . . ?
C17 C18 C19 C20 1.2(5) . . . . ?
Ta1 C18 C19 C20 179.3(2) . . . . ?
C18 C19 C20 C22 -0.7(5) . . . . ?
C19 C20 C22 C23 -0.2(5) . . . . ?
C20 C22 C23 C17 0.5(5) . . . . ?
C18 C17 C23 C22 0.2(5) . . . . ?
P1 C17 C23 C22 -177.2(2) . . . . ?
N1 P1 C24 C25 -59.3(3) . . . . ?
C11 P1 C24 C25 70.3(3) . . . . ?
C17 P1 C24 C25 -177.1(3) . . . . ?
N1 P1 C24 C29 120.4(3) . . . . ?
C11 P1 C24 C29 -110.0(3) . . . . ?
C17 P1 C24 C29 2.5(3) . . . . ?
C29 C24 C25 C26 1.1(5) . . . . ?
P1 C24 C25 C26 -179.3(3) . . . . ?
C24 C25 C26 C27 -0.9(6) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C26 C27 C28 C29 1.9(6) . . . . ?
C25 C24 C29 C28 0.1(5) . . . . ?
P1 C24 C29 C28 -179.5(2) . . . . ?
C27 C28 C29 C24 -1.6(5) . . . . ?
N1 P2 C30 C35 11.6(3) . . . . ?
C36 P2 C30 C35 -111.0(3) . . . . ?
C42 P2 C30 C35 133.2(3) . . . . ?
N1 P2 C30 C31 -167.0(3) . . . . ?
C36 P2 C30 C31 70.3(3) . . . . ?
C42 P2 C30 C31 -45.5(3) . . . . ?
C35 C30 C31 C32 -1.5(5) . . . . ?
P2 C30 C31 C32 177.1(3) . . . . ?
C30 C31 C32 C33 0.4(5) . . . . ?
C31 C32 C33 C34 1.3(5) . . . . ?
C32 C33 C34 C35 -1.7(5) . . . . ?
C31 C30 C35 C34 1.1(5) . . . . ?
P2 C30 C35 C34 -177.6(3) . . . . ?
C33 C34 C35 C30 0.5(5) . . . . ?
N1 P2 C36 C37 -76.2(3) . . . . ?
C30 P2 C36 C37 41.8(3) . . . . ?
C42 P2 C36 C37 155.6(3) . . . . ?
N1 P2 C36 C41 96.2(3) . . . . ?
C30 P2 C36 C41 -145.8(3) . . . . ?
C42 P2 C36 C41 -32.0(3) . . . . ?
C41 C36 C37 C38 -0.1(5) . . . . ?
P2 C36 C37 C38 172.5(3) . . . . ?
C36 C37 C38 C39 -0.2(6) . . . . ?
C37 C38 C39 C40 0.6(6) . . . . ?
C38 C39 C40 C41 -0.9(6) . . . . ?
C39 C40 C41 C36 0.7(5) . . . . ?
C37 C36 C41 C40 -0.2(5) . . . . ?
P2 C36 C41 C40 -172.5(3) . . . . ?
N1 P2 C42 C47 19.3(3) . . . . ?
C30 P2 C42 C47 -97.5(3) . . . . ?
C36 P2 C42 C47 147.6(3) . . . . ?
N1 P2 C42 C43 -165.2(3) . . . . ?
C30 P2 C42 C43 78.1(3) . . . . ?
C36 P2 C42 C43 -36.9(3) . . . . ?
C47 C42 C43 C44 -0.3(6) . . . . ?
P2 C42 C43 C44 -175.7(3) . . . . ?
C42 C43 C44 C45 0.4(7) . . . . ?
C43 C44 C45 C46 -0.4(8) . . . . ?
C44 C45 C46 C47 0.3(7) . . . . ?
C45 C46 C47 C42 -0.2(6) . . . . ?
C43 C42 C47 C46 0.2(6) . . . . ?
P2 C42 C47 C46 175.9(3) . . . . ?
C18 Ta1 P3 O3 -53.9(3) . . . . ?
C11 Ta1 P3 O3 -125.2(3) . . . . ?
C2 Ta1 P3 O3 35.1(3) . . . . ?
C15 Ta1 P3 O3 156.8(3) . . . . ?
C12 Ta1 P3 O3 -133.3(3) . . . . ?
C1 Ta1 P3 O3 72.3(3) . . . . ?
C3 Ta1 P3 O3 18.0(3) . . . . ?
C14 Ta1 P3 O3 164.5(3) . . . . ?
C4 Ta1 P3 O3 39.2(4) . . . . ?
C13 Ta1 P3 O3 -164.4(3) . . . . ?
C18 Ta1 P3 O2' 147.9(2) . . . . ?
C11 Ta1 P3 O2' 76.5(2) . . . . ?
C2 Ta1 P3 O2' -123.1(2) . . . . ?
C15 Ta1 P3 O2' -1.5(2) . . . . ?
C12 Ta1 P3 O2' 68.5(2) . . . . ?
C1 Ta1 P3 O2' -85.9(2) . . . . ?
C3 Ta1 P3 O2' -140.2(2) . . . . ?
C14 Ta1 P3 O2' 6.3(2) . . . . ?
C4 Ta1 P3 O2' -119.0(2) . . . . ?
C13 Ta1 P3 O2' 37.4(2) . . . . ?
C18 Ta1 P3 O1 78.0(3) . . . . ?
C11 Ta1 P3 O1 6.7(3) . . . . ?
C2 Ta1 P3 O1 167.0(3) . . . . ?
C15 Ta1 P3 O1 -71.3(3) . . . . ?
C12 Ta1 P3 O1 -1.4(3) . . . . ?
C1 Ta1 P3 O1 -155.8(3) . . . . ?
C3 Ta1 P3 O1 149.9(3) . . . . ?
C14 Ta1 P3 O1 -63.6(3) . . . . ?
C4 Ta1 P3 O1 171.1(3) . . . . ?
C13 Ta1 P3 O1 -32.5(3) . . . . ?
C18 Ta1 P3 O3' -86.1(2) . . . . ?
C11 Ta1 P3 O3' -157.5(2) . . . . ?
C2 Ta1 P3 O3' 2.8(2) . . . . ?
C15 Ta1 P3 O3' 124.5(2) . . . . ?
C12 Ta1 P3 O3' -165.6(2) . . . . ?
C1 Ta1 P3 O3' 40.1(2) . . . . ?
C3 Ta1 P3 O3' -14.2(2) . . . . ?
C14 Ta1 P3 O3' 132.3(2) . . . . ?
C4 Ta1 P3 O3' 7.0(2) . . . . ?
C13 Ta1 P3 O3' 163.3(2) . . . . ?
C18 Ta1 P3 O1' 27.5(2) . . . . ?
C11 Ta1 P3 O1' -43.8(2) . . . . ?
C2 Ta1 P3 O1' 116.5(2) . . . . ?
C15 Ta1 P3 O1' -121.8(2) . . . . ?
C12 Ta1 P3 O1' -51.9(2) . . . . ?
C1 Ta1 P3 O1' 153.7(2) . . . . ?
C3 Ta1 P3 O1' 99.4(2) . . . . ?
C14 Ta1 P3 O1' -114.1(2) . . . . ?
C4 Ta1 P3 O1' 120.6(3) . . . . ?
C13 Ta1 P3 O1' -83.0(2) . . . . ?
C18 Ta1 P3 O2 -168.0(3) . . . . ?
C11 Ta1 P3 O2 120.6(3) . . . . ?
C2 Ta1 P3 O2 -79.0(3) . . . . ?
C15 Ta1 P3 O2 42.6(3) . . . . ?
C12 Ta1 P3 O2 112.6(3) . . . . ?
C1 Ta1 P3 O2 -41.8(3) . . . . ?
C3 Ta1 P3 O2 -96.1(3) . . . . ?
C14 Ta1 P3 O2 50.4(3) . . . . ?
C4 Ta1 P3 O2 -74.9(3) . . . . ?
C13 Ta1 P3 O2 81.4(3) . . . . ?
O3 P3 O1 C48 68(3) . . . . ?
O2' P3 O1 C48 -179(3) . . . . ?
O3' P3 O1 C48 94(3) . . . . ?
O1' P3 O1 C48 35(3) . . . . ?
O2 P3 O1 C48 165(3) . . . . ?
Ta1 P3 O1 C48 -69(3) . . . . ?
O3 P3 O2 C49 175(3) . . . . ?
O2' P3 O2 C49 46(3) . . . . ?
O1 P3 O2 C49 69(3) . . . . ?
O3' P3 O2 C49 -167(3) . . . . ?
O1' P3 O2 C49 106(3) . . . . ?
Ta1 P3 O2 C49 -59(3) . . . . ?
O2' P3 O3 C50 -17.3(10) . . . . ?
O1 P3 O3 C50 45.7(10) . . . . ?
O3' P3 O3 C50 -86.5(11) . . . . ?
O1' P3 O3 C50 69.6(9) . . . . ?
O2 P3 O3 C50 -50.1(9) . . . . ?
Ta1 P3 O3 C50 -176.3(8) . . . . ?
O3 P3 O1' C48' 161(2) . . . . ?
O2' P3 O1' C48' -82(2) . . . . ?
O1 P3 O1' C48' -53(2) . . . . ?
O3' P3 O1' C48' 173(2) . . . . ?
O2 P3 O1' C48' -114(2) . . . . ?
Ta1 P3 O1' C48' 50(2) . . . . ?
O3 P3 O2' C49' -94.3(14) . . . . ?
O1 P3 O2' C49' 172.9(14) . . . . ?
O3' P3 O2' C49' -66.3(14) . . . . ?
O1' P3 O2' C49' -164.6(14) . . . . ?
O2 P3 O2' C49' -33.4(14) . . . . ?
Ta1 P3 O2' C49' 64.1(14) . . . . ?
O3 P3 O3' C50' 73.2(9) . . . . ?
O2' P3 O3' C50' -47.8(6) . . . . ?
O1 P3 O3' C50' 14.4(7) . . . . ?
O1' P3 O3' C50' 50.8(6) . . . . ?
O2 P3 O3' C50' -68.4(6) . . . . ?
Ta1 P3 O3' C50' 177.9(5) . . . . ?
C54 O4 C51 C52 -8.1(18) . . . . ?
O4 C51 C52 C53 -17.0(14) . . . . ?
C51 C52 C53 C54 36.7(14) . . . . ?
C52 C53 C54 O4 -41.8(13) . . . . ?
C51 O4 C54 C53 33.2(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.807
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.090


# Attachment 'ChemCommMS.cif'

data_05303m
_database_code_depnum_ccdc_archive 'CCDC 695311'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            05303
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H38 N P2 Ta, C4 H8 O'
_chemical_formula_sum            'C50 H46 N O P2 Ta'
_chemical_formula_weight         919.77

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.6242(10)
_cell_length_b                   26.941(3)
_cell_length_c                   14.3990(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.132(2)
_cell_angle_gamma                90.00
_cell_volume                     3996.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4031
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      27.47

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark green'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1856
_exptl_absorpt_coefficient_mu    2.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.645633
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Siemens SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46849
_diffrn_reflns_av_R_equivalents  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         27.51
_reflns_number_total             9182
_reflns_number_gt                7806
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART, Bruker'
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0318P)^2^+5.7790P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9182
_refine_ls_number_parameters     512
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0362
_refine_ls_wR_factor_ref         0.0781
_refine_ls_wR_factor_gt          0.0745
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
N1 N 0.7242(3) 0.73735(11) 0.3155(2) 0.0300(6) Uani 1 1 d . . .
Ta1 Ta 0.757446(15) 0.879210(5) 0.511972(10) 0.02939(5) Uani 1 1 d . . .
P1 P 0.73322(9) 0.78934(3) 0.37179(6) 0.02520(18) Uani 1 1 d . . .
P2 P 0.79267(9) 0.68582(3) 0.34561(6) 0.02747(19) Uani 1 1 d . . .
C1 C 0.8967(4) 0.94486(14) 0.5715(3) 0.0422(10) Uani 1 1 d . . .
H1A H 0.9886 0.9423 0.5663 0.051 Uiso 1 1 calc R . .
C2 C 0.8007(4) 0.96427(14) 0.4890(3) 0.0413(9) Uani 1 1 d . . .
H2A H 0.8253 0.9763 0.4302 0.050 Uiso 1 1 calc R . .
C3 C 0.6724(4) 0.96131(14) 0.4945(3) 0.0414(10) Uani 1 1 d . . .
H3A H 0.5986 0.9711 0.4400 0.050 Uiso 1 1 calc R . .
C4 C 0.6520(5) 0.93933(15) 0.5811(3) 0.0437(10) Uani 1 1 d . . .
H4A H 0.5604 0.9324 0.5837 0.052 Uiso 1 1 calc R . .
C5 C 0.7125(6) 0.96313(18) 0.7588(4) 0.0680(16) Uani 1 1 d . . .
H5A H 0.6247 0.9618 0.7631 0.082 Uiso 1 1 calc R . .
C6 C 0.8134(9) 0.9736(2) 0.8405(4) 0.083(2) Uani 1 1 d . . .
H6A H 0.7934 0.9793 0.9005 0.100 Uiso 1 1 calc R . .
C7 C 0.9376(8) 0.97569(19) 0.8341(4) 0.081(2) Uani 1 1 d . . .
H7A H 1.0037 0.9824 0.8902 0.097 Uiso 1 1 calc R . .
C8 C 0.9721(6) 0.96833(16) 0.7484(3) 0.0634(15) Uani 1 1 d . . .
H8A H 1.0601 0.9707 0.7451 0.076 Uiso 1 1 calc R . .
C9 C 0.8741(5) 0.95724(15) 0.6668(3) 0.0510(12) Uani 1 1 d . . .
C10 C 0.7448(5) 0.95481(15) 0.6715(3) 0.0507(12) Uani 1 1 d . . .
C11 C 0.8493(3) 0.83086(13) 0.3417(2) 0.0270(7) Uani 1 1 d . . .
C12 C 0.9088(4) 0.81953(15) 0.2677(3) 0.0345(8) Uani 1 1 d . . .
H12A H 0.8914 0.7889 0.2342 0.041 Uiso 1 1 calc R . .
C13 C 0.9933(4) 0.85346(17) 0.2438(3) 0.0450(10) Uani 1 1 d . . .
H13A H 1.0344 0.8467 0.1936 0.054 Uiso 1 1 calc R . .
C14 C 1.0169(4) 0.89775(16) 0.2947(3) 0.0453(10) Uani 1 1 d . . .
H14A H 1.0728 0.9218 0.2777 0.054 Uiso 1 1 calc R . .
C15 C 0.9602(4) 0.90743(14) 0.3700(3) 0.0382(9) Uani 1 1 d . . .
H15A H 0.9818 0.9374 0.4050 0.046 Uiso 1 1 calc R . .
C16 C 0.8720(3) 0.87468(13) 0.3966(2) 0.0300(7) Uani 1 1 d . . .
C17 C 0.5785(3) 0.81966(13) 0.3393(2) 0.0286(7) Uani 1 1 d . . .
C18 C 0.5770(4) 0.86336(14) 0.3934(3) 0.0321(8) Uani 1 1 d . . .
C19 C 0.4575(4) 0.88854(16) 0.3713(3) 0.0463(10) Uani 1 1 d . . .
H19A H 0.4489 0.9180 0.4055 0.056 Uiso 1 1 calc R . .
C20 C 0.3517(4) 0.8719(2) 0.3016(4) 0.0621(14) Uani 1 1 d . . .
H20A H 0.2728 0.8902 0.2892 0.075 Uiso 1 1 calc R . .
C21 C 0.3591(4) 0.82922(19) 0.2499(3) 0.0547(12) Uani 1 1 d . . .
H21A H 0.2863 0.8185 0.2016 0.066 Uiso 1 1 calc R . .
C22 C 0.4733(4) 0.80233(15) 0.2692(3) 0.0374(9) Uani 1 1 d . . .
H22A H 0.4798 0.7726 0.2353 0.045 Uiso 1 1 calc R . .
C23 C 0.7685(3) 0.79490(13) 0.4966(2) 0.0288(8) Uani 1 1 d . . .
C24 C 0.8952(4) 0.81035(13) 0.5527(2) 0.0337(8) Uani 1 1 d . . .
H24A H 0.9763 0.8061 0.5300 0.040 Uiso 1 1 calc R . .
C25 C 0.8938(4) 0.83243(14) 0.6401(3) 0.0377(9) Uani 1 1 d . . .
H25A H 0.9742 0.8473 0.6818 0.045 Uiso 1 1 calc R . .
C26 C 0.7710(4) 0.84038(14) 0.6591(3) 0.0399(9) Uani 1 1 d . . .
H26A H 0.7693 0.8627 0.7142 0.048 Uiso 1 1 calc R . .
C27 C 0.6646(5) 0.80135(16) 0.6350(3) 0.0449(10) Uani 1 1 d . . .
H27A H 0.5789 0.8179 0.6189 0.054 Uiso 1 1 calc R . .
H27B H 0.6689 0.7800 0.6917 0.054 Uiso 1 1 calc R . .
C28 C 0.6787(4) 0.76900(14) 0.5502(3) 0.0364(9) Uani 1 1 d . . .
H28A H 0.7153 0.7363 0.5738 0.044 Uiso 1 1 calc R . .
H28B H 0.5924 0.7636 0.5061 0.044 Uiso 1 1 calc R . .
C29 C 0.7869(3) 0.65048(14) 0.2380(2) 0.0305(8) Uani 1 1 d . . .
C30 C 0.8213(5) 0.60099(16) 0.2427(3) 0.0484(11) Uani 1 1 d . . .
H30A H 0.8488 0.5850 0.3030 0.058 Uiso 1 1 calc R . .
C31 C 0.8155(5) 0.57485(17) 0.1593(3) 0.0566(13) Uani 1 1 d . . .
H31A H 0.8399 0.5408 0.1627 0.068 Uiso 1 1 calc R . .
C32 C 0.7748(4) 0.59738(17) 0.0711(3) 0.0475(11) Uani 1 1 d . . .
H32A H 0.7698 0.5789 0.0142 0.057 Uiso 1 1 calc R . .
C33 C 0.7416(5) 0.64654(18) 0.0661(3) 0.0505(11) Uani 1 1 d . . .
H33A H 0.7150 0.6624 0.0056 0.061 Uiso 1 1 calc R . .
C34 C 0.7468(4) 0.67328(16) 0.1497(3) 0.0436(10) Uani 1 1 d . . .
H34A H 0.7227 0.7073 0.1461 0.052 Uiso 1 1 calc R . .
C35 C 0.9615(4) 0.69018(13) 0.4093(2) 0.0303(8) Uani 1 1 d . . .
C36 C 0.9973(4) 0.69750(13) 0.5077(3) 0.0333(8) Uani 1 1 d . . .
H36A H 0.9330 0.6969 0.5434 0.040 Uiso 1 1 calc R . .
C37 C 1.1259(4) 0.70566(15) 0.5542(3) 0.0396(9) Uani 1 1 d . . .
H37A H 1.1498 0.7101 0.6217 0.048 Uiso 1 1 calc R . .
C38 C 1.2194(4) 0.70734(19) 0.5025(3) 0.0500(11) Uani 1 1 d . . .
H38A H 1.3076 0.7133 0.5342 0.060 Uiso 1 1 calc R . .
C39 C 1.1847(4) 0.7004(2) 0.4044(3) 0.0613(14) Uani 1 1 d . . .
H39A H 1.2488 0.7018 0.3686 0.074 Uiso 1 1 calc R . .
C40 C 1.0561(4) 0.69136(18) 0.3583(3) 0.0479(11) Uani 1 1 d . . .
H40A H 1.0329 0.6859 0.2911 0.058 Uiso 1 1 calc R . .
C41 C 0.7117(4) 0.65010(13) 0.4201(2) 0.0309(8) Uani 1 1 d . . .
C42 C 0.7759(5) 0.61427(15) 0.4837(3) 0.0416(10) Uani 1 1 d . . .
H42A H 0.8649 0.6073 0.4881 0.050 Uiso 1 1 calc R . .
C43 C 0.7098(5) 0.58869(16) 0.5408(3) 0.0517(12) Uani 1 1 d . . .
H43A H 0.7545 0.5651 0.5860 0.062 Uiso 1 1 calc R . .
C44 C 0.5804(6) 0.59730(17) 0.5323(3) 0.0562(13) Uani 1 1 d . . .
H44A H 0.5356 0.5793 0.5710 0.067 Uiso 1 1 calc R . .
C45 C 0.5146(5) 0.63192(17) 0.4678(4) 0.0548(12) Uani 1 1 d . . .
H45A H 0.4247 0.6375 0.4616 0.066 Uiso 1 1 calc R . .
C46 C 0.5808(4) 0.65853(15) 0.4118(3) 0.0406(9) Uani 1 1 d . . .
H46A H 0.5361 0.6826 0.3677 0.049 Uiso 1 1 calc R . .
O1 O 0.1703(19) 0.5091(5) 0.6662(11) 0.118(4) Uani 0.392(8) 1 d PD A 1
C47 C 0.086(2) 0.5455(11) 0.694(2) 0.108(4) Uani 0.392(8) 1 d PD A 1
H47A H 0.0938 0.5453 0.7635 0.130 Uiso 0.392(8) 1 calc PR A 1
H47B H -0.0058 0.5404 0.6593 0.130 Uiso 0.392(8) 1 calc PR A 1
C48 C 0.141(4) 0.5923(8) 0.662(3) 0.078(4) Uani 0.392(8) 1 d PD A 1
H48A H 0.2282 0.6003 0.7015 0.093 Uiso 0.392(8) 1 calc PR A 1
H48B H 0.0821 0.6212 0.6593 0.093 Uiso 0.392(8) 1 calc PR A 1
C49 C 0.143(3) 0.5726(9) 0.561(2) 0.087(4) Uani 0.392(8) 1 d PD A 1
H49A H 0.0576 0.5600 0.5240 0.105 Uiso 0.392(8) 1 calc PR A 1
H49B H 0.1780 0.5970 0.5221 0.105 Uiso 0.392(8) 1 calc PR A 1
C50 C 0.238(2) 0.5315(7) 0.6016(15) 0.110(5) Uani 0.392(8) 1 d PD A 1
H50A H 0.2499 0.5079 0.5515 0.132 Uiso 0.392(8) 1 calc PR A 1
H50B H 0.3239 0.5448 0.6360 0.132 Uiso 0.392(8) 1 calc PR A 1
O1' O 0.0692(12) 0.5059(3) 0.6333(7) 0.118(4) Uani 0.608(8) 1 d PD A 5
C47' C 0.1100(18) 0.5417(7) 0.7101(11) 0.108(4) Uani 0.608(8) 1 d PD A 5
H47C H 0.1965 0.5335 0.7514 0.130 Uiso 0.608(8) 1 calc PR A 5
H47D H 0.0463 0.5444 0.7498 0.130 Uiso 0.608(8) 1 calc PR A 5
C48' C 0.114(2) 0.5875(5) 0.6533(19) 0.078(4) Uani 0.608(8) 1 d PD A 5
H48C H 0.1638 0.6139 0.6937 0.093 Uiso 0.608(8) 1 calc PR A 5
H48D H 0.0249 0.5998 0.6246 0.093 Uiso 0.608(8) 1 calc PR A 5
C49' C 0.1817(18) 0.5709(5) 0.5747(15) 0.087(4) Uani 0.608(8) 1 d PD A 5
H49C H 0.1477 0.5890 0.5139 0.105 Uiso 0.608(8) 1 calc PR A 5
H49D H 0.2769 0.5754 0.5954 0.105 Uiso 0.608(8) 1 calc PR A 5
C50' C 0.1452(16) 0.5168(4) 0.5653(9) 0.110(5) Uani 0.608(8) 1 d PD A 5
H50C H 0.0940 0.5096 0.4995 0.132 Uiso 0.608(8) 1 calc PR A 5
H50D H 0.2243 0.4959 0.5786 0.132 Uiso 0.608(8) 1 calc PR A 5

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
N1 0.0359(17) 0.0293(16) 0.0244(14) -0.0014(12) 0.0068(12) 0.0016(13)
Ta1 0.03592(9) 0.02718(8) 0.02507(8) -0.00122(6) 0.00746(6) 0.00226(7)
P1 0.0289(5) 0.0266(4) 0.0213(4) 0.0001(3) 0.0082(3) 0.0013(4)
P2 0.0331(5) 0.0285(5) 0.0212(4) -0.0015(3) 0.0076(4) 0.0019(4)
C1 0.050(3) 0.031(2) 0.042(2) -0.0043(17) 0.0042(19) -0.0018(18)
C2 0.059(3) 0.026(2) 0.039(2) -0.0001(16) 0.0118(19) 0.0023(18)
C3 0.055(3) 0.030(2) 0.040(2) -0.0018(16) 0.0121(19) 0.0093(19)
C4 0.057(3) 0.033(2) 0.044(2) -0.0059(17) 0.018(2) 0.0102(19)
C5 0.118(5) 0.042(3) 0.051(3) -0.006(2) 0.033(3) 0.019(3)
C6 0.168(7) 0.042(3) 0.039(3) -0.010(2) 0.023(4) 0.018(4)
C7 0.151(7) 0.035(3) 0.041(3) -0.006(2) -0.007(4) -0.001(4)
C8 0.099(4) 0.034(2) 0.045(3) -0.0018(19) -0.006(3) -0.008(2)
C9 0.084(4) 0.024(2) 0.038(2) -0.0029(16) 0.002(2) -0.002(2)
C10 0.081(4) 0.029(2) 0.042(2) -0.0060(17) 0.015(2) 0.014(2)
C11 0.0257(18) 0.0301(18) 0.0256(17) 0.0048(13) 0.0072(14) 0.0015(14)
C12 0.036(2) 0.041(2) 0.0287(18) 0.0043(15) 0.0117(16) 0.0059(17)
C13 0.042(2) 0.053(3) 0.048(2) 0.009(2) 0.027(2) 0.007(2)
C14 0.035(2) 0.044(2) 0.063(3) 0.012(2) 0.024(2) -0.0025(18)
C15 0.034(2) 0.032(2) 0.050(2) 0.0031(17) 0.0114(18) -0.0009(16)
C16 0.0290(18) 0.0320(19) 0.0294(17) 0.0046(14) 0.0079(14) 0.0021(15)
C17 0.0296(19) 0.0342(19) 0.0242(17) 0.0036(14) 0.0107(14) 0.0002(15)
C18 0.033(2) 0.037(2) 0.0285(18) 0.0001(15) 0.0102(15) 0.0022(16)
C19 0.038(2) 0.049(3) 0.052(3) -0.0107(19) 0.0120(19) 0.0105(19)
C20 0.032(2) 0.076(4) 0.074(3) -0.018(3) 0.004(2) 0.020(2)
C21 0.033(2) 0.067(3) 0.058(3) -0.018(2) -0.001(2) 0.003(2)
C22 0.033(2) 0.046(2) 0.034(2) -0.0058(17) 0.0095(16) -0.0001(17)
C23 0.035(2) 0.0279(18) 0.0255(18) -0.0011(13) 0.0109(15) -0.0002(14)
C24 0.042(2) 0.0314(19) 0.0260(18) 0.0018(14) 0.0052(16) 0.0055(16)
C25 0.052(2) 0.032(2) 0.0238(18) -0.0004(15) 0.0010(17) 0.0042(18)
C26 0.062(3) 0.036(2) 0.0238(18) -0.0011(15) 0.0147(18) 0.0028(19)
C27 0.062(3) 0.044(2) 0.035(2) -0.0031(18) 0.024(2) 0.000(2)
C28 0.051(2) 0.033(2) 0.0291(19) -0.0006(15) 0.0169(17) -0.0043(17)
C29 0.0319(19) 0.035(2) 0.0252(17) -0.0048(14) 0.0086(15) 0.0011(15)
C30 0.078(3) 0.036(2) 0.032(2) -0.0005(17) 0.015(2) 0.008(2)
C31 0.086(4) 0.039(2) 0.048(3) -0.009(2) 0.022(2) 0.009(2)
C32 0.058(3) 0.054(3) 0.032(2) -0.0152(19) 0.014(2) 0.001(2)
C33 0.067(3) 0.058(3) 0.025(2) -0.0038(18) 0.0082(19) 0.014(2)
C34 0.058(3) 0.041(2) 0.030(2) -0.0025(16) 0.0075(18) 0.014(2)
C35 0.034(2) 0.0315(19) 0.0257(17) 0.0003(14) 0.0080(15) 0.0042(15)
C36 0.037(2) 0.034(2) 0.0296(18) -0.0031(15) 0.0089(16) 0.0027(16)
C37 0.040(2) 0.045(2) 0.031(2) -0.0064(17) 0.0018(17) 0.0018(18)
C38 0.036(2) 0.071(3) 0.039(2) -0.005(2) 0.0027(19) 0.002(2)
C39 0.036(2) 0.110(4) 0.040(2) -0.004(3) 0.013(2) 0.000(3)
C40 0.042(2) 0.076(3) 0.0244(19) -0.0026(19) 0.0056(17) -0.003(2)
C41 0.042(2) 0.0274(18) 0.0249(17) -0.0035(14) 0.0112(15) -0.0004(15)
C42 0.059(3) 0.036(2) 0.0296(19) 0.0016(16) 0.0104(18) -0.0009(18)
C43 0.085(4) 0.038(2) 0.033(2) 0.0046(17) 0.016(2) -0.010(2)
C44 0.092(4) 0.039(3) 0.051(3) -0.009(2) 0.043(3) -0.018(3)
C45 0.060(3) 0.047(3) 0.070(3) -0.008(2) 0.040(3) -0.006(2)
C46 0.045(2) 0.036(2) 0.047(2) -0.0038(17) 0.0234(19) -0.0010(18)
O1 0.178(11) 0.075(4) 0.116(7) -0.022(4) 0.064(8) -0.041(7)
C47 0.201(11) 0.060(5) 0.062(7) -0.005(5) 0.031(7) -0.003(6)
C48 0.103(10) 0.065(5) 0.062(6) -0.015(4) 0.014(7) -0.013(5)
C49 0.118(12) 0.063(4) 0.091(8) 0.010(4) 0.044(8) 0.006(6)
C50 0.167(16) 0.074(8) 0.112(9) -0.020(6) 0.079(10) -0.007(8)
O1' 0.178(11) 0.075(4) 0.116(7) -0.022(4) 0.064(8) -0.041(7)
C47' 0.201(11) 0.060(5) 0.062(7) -0.005(5) 0.031(7) -0.003(6)
C48' 0.103(10) 0.065(5) 0.062(6) -0.015(4) 0.014(7) -0.013(5)
C49' 0.118(12) 0.063(4) 0.091(8) 0.010(4) 0.044(8) 0.006(6)
C50' 0.167(16) 0.074(8) 0.112(9) -0.020(6) 0.079(10) -0.007(8)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
N1 P2 1.578(3) . ?
N1 P1 1.609(3) . ?
Ta1 C18 2.275(4) . ?
Ta1 C23 2.288(4) . ?
Ta1 C16 2.290(4) . ?
Ta1 C4 2.327(4) . ?
Ta1 C1 2.331(4) . ?
Ta1 C26 2.336(4) . ?
Ta1 C24 2.347(4) . ?
Ta1 C2 2.376(4) . ?
Ta1 C3 2.379(4) . ?
Ta1 C25 2.405(4) . ?
P1 C23 1.751(3) . ?
P1 C17 1.793(4) . ?
P1 C11 1.794(4) . ?
P2 C29 1.807(3) . ?
P2 C41 1.807(4) . ?
P2 C35 1.808(4) . ?
C1 C2 1.460(6) . ?
C1 C9 1.488(6) . ?
C1 H1A 1.0000 . ?
C2 C3 1.388(6) . ?
C2 H2A 1.0000 . ?
C3 C4 1.443(6) . ?
C3 H3A 1.0000 . ?
C4 C10 1.488(6) . ?
C4 H4A 1.0000 . ?
C5 C10 1.400(6) . ?
C5 C6 1.413(9) . ?
C5 H5A 0.9500 . ?
C6 C7 1.346(9) . ?
C6 H6A 0.9500 . ?
C7 C8 1.385(8) . ?
C7 H7A 0.9500 . ?
C8 C9 1.399(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.394(7) . ?
C11 C12 1.400(5) . ?
C11 C16 1.408(5) . ?
C12 C13 1.381(6) . ?
C12 H12A 0.9500 . ?
C13 C14 1.391(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.387(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.406(5) . ?
C15 H15A 0.9500 . ?
C17 C22 1.391(5) . ?
C17 C18 1.414(5) . ?
C18 C19 1.406(5) . ?
C19 C20 1.386(6) . ?
C19 H19A 0.9500 . ?
C20 C21 1.384(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.382(6) . ?
C21 H21A 0.9500 . ?
C22 H22A 0.9500 . ?
C23 C24 1.450(5) . ?
C23 C28 1.533(5) . ?
C24 C25 1.395(5) . ?
C24 H24A 1.0000 . ?
C25 C26 1.414(6) . ?
C25 H25A 1.0000 . ?
C26 C27 1.520(6) . ?
C26 H26A 1.0000 . ?
C27 C28 1.537(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.380(6) . ?
C29 C34 1.382(5) . ?
C30 C31 1.380(6) . ?
C30 H30A 0.9500 . ?
C31 C32 1.378(6) . ?
C31 H31A 0.9500 . ?
C32 C33 1.368(6) . ?
C32 H32A 0.9500 . ?
C33 C34 1.392(5) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 C40 1.382(5) . ?
C35 C36 1.389(5) . ?
C36 C37 1.385(5) . ?
C36 H36A 0.9500 . ?
C37 C38 1.381(6) . ?
C37 H37A 0.9500 . ?
C38 C39 1.382(6) . ?
C38 H38A 0.9500 . ?
C39 C40 1.387(6) . ?
C39 H39A 0.9500 . ?
C40 H40A 0.9500 . ?
C41 C46 1.385(5) . ?
C41 C42 1.390(5) . ?
C42 C43 1.388(6) . ?
C42 H42A 0.9500 . ?
C43 C44 1.370(7) . ?
C43 H43A 0.9500 . ?
C44 C45 1.380(7) . ?
C44 H44A 0.9500 . ?
C45 C46 1.391(6) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
O1 C50 1.442(5) . ?
O1 C47 1.446(5) . ?
C47 C48 1.504(9) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.558(9) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.522(9) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
O1' C50' 1.443(5) . ?
O1' C47' 1.449(5) . ?
C47' C48' 1.486(8) . ?
C47' H47C 0.9900 . ?
C47' H47D 0.9900 . ?
C48' C49' 1.550(8) . ?
C48' H48C 0.9900 . ?
C48' H48D 0.9900 . ?
C49' C50' 1.505(8) . ?
C49' H49C 0.9900 . ?
C49' H49D 0.9900 . ?
C50' H50C 0.9900 . ?
C50' H50D 0.9900 . ?

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
P2 N1 P1 131.35(19) . . ?
C18 Ta1 C23 78.17(13) . . ?
C18 Ta1 C16 86.87(13) . . ?
C23 Ta1 C16 80.10(12) . . ?
C18 Ta1 C4 92.64(15) . . ?
C23 Ta1 C4 140.71(14) . . ?
C16 Ta1 C4 138.09(14) . . ?
C18 Ta1 C1 139.58(14) . . ?
C23 Ta1 C1 138.23(14) . . ?
C16 Ta1 C1 84.54(14) . . ?
C4 Ta1 C1 69.10(16) . . ?
C18 Ta1 C26 116.79(14) . . ?
C23 Ta1 C26 69.49(12) . . ?
C16 Ta1 C26 135.10(13) . . ?
C4 Ta1 C26 81.56(14) . . ?
C1 Ta1 C26 96.52(14) . . ?
C18 Ta1 C24 113.51(13) . . ?
C23 Ta1 C24 36.45(12) . . ?
C16 Ta1 C24 74.31(13) . . ?
C4 Ta1 C24 141.22(13) . . ?
C1 Ta1 C24 101.95(14) . . ?
C26 Ta1 C24 61.50(13) . . ?
C18 Ta1 C2 103.47(14) . . ?
C23 Ta1 C2 158.09(14) . . ?
C16 Ta1 C2 78.19(14) . . ?
C4 Ta1 C2 61.17(15) . . ?
C1 Ta1 C2 36.12(14) . . ?
C26 Ta1 C2 125.94(14) . . ?
C24 Ta1 C2 131.84(15) . . ?
C18 Ta1 C3 82.33(14) . . ?
C23 Ta1 C3 160.03(14) . . ?
C16 Ta1 C3 103.21(13) . . ?
C4 Ta1 C3 35.69(14) . . ?
C1 Ta1 C3 61.58(15) . . ?
C26 Ta1 C3 116.72(14) . . ?
C24 Ta1 C3 163.51(15) . . ?
C2 Ta1 C3 33.93(15) . . ?
C18 Ta1 C25 135.79(13) . . ?
C23 Ta1 C25 61.20(12) . . ?
C16 Ta1 C25 101.60(13) . . ?
C4 Ta1 C25 107.43(14) . . ?
C1 Ta1 C25 84.62(14) . . ?
C26 Ta1 C25 34.66(14) . . ?
C24 Ta1 C25 34.12(12) . . ?
C2 Ta1 C25 120.74(14) . . ?
C3 Ta1 C25 135.25(13) . . ?
N1 P1 C23 124.26(16) . . ?
N1 P1 C17 109.09(17) . . ?
C23 P1 C17 100.48(16) . . ?
N1 P1 C11 112.41(16) . . ?
C23 P1 C11 101.93(16) . . ?
C17 P1 C11 107.07(16) . . ?
N1 P2 C29 108.13(16) . . ?
N1 P2 C41 112.14(17) . . ?
C29 P2 C41 107.88(17) . . ?
N1 P2 C35 114.57(17) . . ?
C29 P2 C35 106.89(17) . . ?
C41 P2 C35 106.91(17) . . ?
C2 C1 C9 115.6(4) . . ?
C2 C1 Ta1 73.6(2) . . ?
C9 C1 Ta1 106.2(3) . . ?
C2 C1 H1A 117.7 . . ?
C9 C1 H1A 117.7 . . ?
Ta1 C1 H1A 117.7 . . ?
C3 C2 C1 115.7(4) . . ?
C3 C2 Ta1 73.2(2) . . ?
C1 C2 Ta1 70.2(2) . . ?
C3 C2 H2A 122.0 . . ?
C1 C2 H2A 122.0 . . ?
Ta1 C2 H2A 122.0 . . ?
C2 C3 C4 115.5(4) . . ?
C2 C3 Ta1 72.9(2) . . ?
C4 C3 Ta1 70.2(2) . . ?
C2 C3 H3A 122.2 . . ?
C4 C3 H3A 122.2 . . ?
Ta1 C3 H3A 122.2 . . ?
C3 C4 C10 115.7(4) . . ?
C3 C4 Ta1 74.1(2) . . ?
C10 C4 Ta1 106.5(3) . . ?
C3 C4 H4A 117.5 . . ?
C10 C4 H4A 117.5 . . ?
Ta1 C4 H4A 117.5 . . ?
C10 C5 C6 118.5(6) . . ?
C10 C5 H5A 120.7 . . ?
C6 C5 H5A 120.7 . . ?
C7 C6 C5 120.5(5) . . ?
C7 C6 H6A 119.7 . . ?
C5 C6 H6A 119.7 . . ?
C6 C7 C8 122.2(6) . . ?
C6 C7 H7A 118.9 . . ?
C8 C7 H7A 118.9 . . ?
C7 C8 C9 118.3(6) . . ?
C7 C8 H8A 120.8 . . ?
C9 C8 H8A 120.8 . . ?
C10 C9 C8 120.6(5) . . ?
C10 C9 C1 114.6(4) . . ?
C8 C9 C1 124.7(5) . . ?
C9 C10 C5 119.8(5) . . ?
C9 C10 C4 114.9(4) . . ?
C5 C10 C4 125.1(5) . . ?
C12 C11 C16 124.2(3) . . ?
C12 C11 P1 120.8(3) . . ?
C16 C11 P1 114.9(3) . . ?
C13 C12 C11 119.1(4) . . ?
C13 C12 H12A 120.4 . . ?
C11 C12 H12A 120.4 . . ?
C12 C13 C14 118.8(4) . . ?
C12 C13 H13A 120.6 . . ?
C14 C13 H13A 120.6 . . ?
C15 C14 C13 121.1(4) . . ?
C15 C14 H14A 119.5 . . ?
C13 C14 H14A 119.5 . . ?
C14 C15 C16 122.7(4) . . ?
C14 C15 H15A 118.7 . . ?
C16 C15 H15A 118.7 . . ?
C15 C16 C11 114.1(3) . . ?
C15 C16 Ta1 132.2(3) . . ?
C11 C16 Ta1 113.7(2) . . ?
C22 C17 C18 124.3(3) . . ?
C22 C17 P1 124.0(3) . . ?
C18 C17 P1 111.6(3) . . ?
C19 C18 C17 114.1(3) . . ?
C19 C18 Ta1 128.9(3) . . ?
C17 C18 Ta1 116.7(3) . . ?
C20 C19 C18 122.4(4) . . ?
C20 C19 H19A 118.8 . . ?
C18 C19 H19A 118.8 . . ?
C21 C20 C19 121.1(4) . . ?
C21 C20 H20A 119.5 . . ?
C19 C20 H20A 119.5 . . ?
C22 C21 C20 119.3(4) . . ?
C22 C21 H21A 120.3 . . ?
C20 C21 H21A 120.3 . . ?
C21 C22 C17 118.7(4) . . ?
C21 C22 H22A 120.6 . . ?
C17 C22 H22A 120.6 . . ?
C24 C23 C28 117.2(3) . . ?
C24 C23 P1 122.2(3) . . ?
C28 C23 P1 118.3(3) . . ?
C24 C23 Ta1 74.0(2) . . ?
C28 C23 Ta1 110.5(2) . . ?
P1 C23 Ta1 100.42(16) . . ?
C25 C24 C23 114.3(4) . . ?
C25 C24 Ta1 75.2(2) . . ?
C23 C24 Ta1 69.6(2) . . ?
C25 C24 H24A 122.8 . . ?
C23 C24 H24A 122.8 . . ?
Ta1 C24 H24A 122.8 . . ?
C24 C25 C26 116.9(4) . . ?
C24 C25 Ta1 70.7(2) . . ?
C26 C25 Ta1 70.0(2) . . ?
C24 C25 H25A 121.1 . . ?
C26 C25 H25A 121.1 . . ?
Ta1 C25 H25A 121.1 . . ?
C25 C26 C27 121.4(3) . . ?
C25 C26 Ta1 75.4(2) . . ?
C27 C26 Ta1 103.0(2) . . ?
C25 C26 H26A 116.2 . . ?
C27 C26 H26A 116.2 . . ?
Ta1 C26 H26A 116.2 . . ?
C26 C27 C28 111.2(3) . . ?
C26 C27 H27A 109.4 . . ?
C28 C27 H27A 109.4 . . ?
C26 C27 H27B 109.4 . . ?
C28 C27 H27B 109.4 . . ?
H27A C27 H27B 108.0 . . ?
C23 C28 C27 109.6(3) . . ?
C23 C28 H28A 109.8 . . ?
C27 C28 H28A 109.8 . . ?
C23 C28 H28B 109.8 . . ?
C27 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
C30 C29 C34 119.6(3) . . ?
C30 C29 P2 120.9(3) . . ?
C34 C29 P2 119.5(3) . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 H30A 120.2 . . ?
C31 C30 H30A 120.2 . . ?
C32 C31 C30 120.9(4) . . ?
C32 C31 H31A 119.5 . . ?
C30 C31 H31A 119.5 . . ?
C33 C32 C31 119.6(4) . . ?
C33 C32 H32A 120.2 . . ?
C31 C32 H32A 120.2 . . ?
C32 C33 C34 120.0(4) . . ?
C32 C33 H33A 120.0 . . ?
C34 C33 H33A 120.0 . . ?
C29 C34 C33 120.2(4) . . ?
C29 C34 H34A 119.9 . . ?
C33 C34 H34A 119.9 . . ?
C40 C35 C36 119.0(4) . . ?
C40 C35 P2 119.5(3) . . ?
C36 C35 P2 121.2(3) . . ?
C37 C36 C35 120.6(4) . . ?
C37 C36 H36A 119.7 . . ?
C35 C36 H36A 119.7 . . ?
C38 C37 C36 119.9(4) . . ?
C38 C37 H37A 120.0 . . ?
C36 C37 H37A 120.0 . . ?
C37 C38 C39 120.0(4) . . ?
C37 C38 H38A 120.0 . . ?
C39 C38 H38A 120.0 . . ?
C38 C39 C40 119.9(4) . . ?
C38 C39 H39A 120.0 . . ?
C40 C39 H39A 120.0 . . ?
C35 C40 C39 120.6(4) . . ?
C35 C40 H40A 119.7 . . ?
C39 C40 H40A 119.7 . . ?
C46 C41 C42 119.5(4) . . ?
C46 C41 P2 118.4(3) . . ?
C42 C41 P2 122.2(3) . . ?
C43 C42 C41 119.8(5) . . ?
C43 C42 H42A 120.1 . . ?
C41 C42 H42A 120.1 . . ?
C44 C43 C42 120.3(4) . . ?
C44 C43 H43A 119.8 . . ?
C42 C43 H43A 119.8 . . ?
C43 C44 C45 120.5(4) . . ?
C43 C44 H44A 119.8 . . ?
C45 C44 H44A 119.8 . . ?
C44 C45 C46 119.6(5) . . ?
C44 C45 H45A 120.2 . . ?
C46 C45 H45A 120.2 . . ?
C41 C46 C45 120.3(4) . . ?
C41 C46 H46A 119.8 . . ?
C45 C46 H46A 119.8 . . ?
C50 O1 C47 109.5(13) . . ?
O1 C47 C48 100.2(13) . . ?
O1 C47 H47A 111.7 . . ?
C48 C47 H47A 111.7 . . ?
O1 C47 H47B 111.7 . . ?
C48 C47 H47B 111.7 . . ?
H47A C47 H47B 109.5 . . ?
C47 C48 C49 95.4(13) . . ?
C47 C48 H48A 112.7 . . ?
C49 C48 H48A 112.7 . . ?
C47 C48 H48B 112.7 . . ?
C49 C48 H48B 112.7 . . ?
H48A C48 H48B 110.2 . . ?
C50 C49 C48 92.7(13) . . ?
C50 C49 H49A 113.2 . . ?
C48 C49 H49A 113.2 . . ?
C50 C49 H49B 113.2 . . ?
C48 C49 H49B 113.2 . . ?
H49A C49 H49B 110.5 . . ?
O1 C50 C49 99.4(12) . . ?
O1 C50 H50A 111.9 . . ?
C49 C50 H50A 111.9 . . ?
O1 C50 H50B 111.9 . . ?
C49 C50 H50B 111.9 . . ?
H50A C50 H50B 109.6 . . ?
C50' O1' C47' 105.7(9) . . ?
O1' C47' C48' 100.1(9) . . ?
O1' C47' H47C 111.8 . . ?
C48' C47' H47C 111.8 . . ?
O1' C47' H47D 111.8 . . ?
C48' C47' H47D 111.8 . . ?
H47C C47' H47D 109.5 . . ?
C47' C48' C49' 104.0(9) . . ?
C47' C48' H48C 111.0 . . ?
C49' C48' H48C 111.0 . . ?
C47' C48' H48D 111.0 . . ?
C49' C48' H48D 111.0 . . ?
H48C C48' H48D 109.0 . . ?
C50' C49' C48' 100.9(8) . . ?
C50' C49' H49C 111.6 . . ?
C48' C49' H49C 111.6 . . ?
C50' C49' H49D 111.6 . . ?
C48' C49' H49D 111.6 . . ?
H49C C49' H49D 109.4 . . ?
O1' C50' C49' 108.1(9) . . ?
O1' C50' H50C 110.1 . . ?
C49' C50' H50C 110.1 . . ?
O1' C50' H50D 110.1 . . ?
C49' C50' H50D 110.1 . . ?
H50C C50' H50D 108.4 . . ?

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
P2 N1 P1 C23 -28.1(4) . . . . ?
P2 N1 P1 C17 -146.0(2) . . . . ?
P2 N1 P1 C11 95.4(3) . . . . ?
P1 N1 P2 C29 -159.9(2) . . . . ?
P1 N1 P2 C41 81.2(3) . . . . ?
P1 N1 P2 C35 -40.8(3) . . . . ?
C18 Ta1 C1 C2 -1.2(4) . . . . ?
C23 Ta1 C1 C2 145.9(2) . . . . ?
C16 Ta1 C1 C2 77.4(3) . . . . ?
C4 Ta1 C1 C2 -69.4(3) . . . . ?
C26 Ta1 C1 C2 -147.7(3) . . . . ?
C24 Ta1 C1 C2 150.1(2) . . . . ?
C3 Ta1 C1 C2 -30.8(2) . . . . ?
C25 Ta1 C1 C2 179.7(3) . . . . ?
C18 Ta1 C1 C9 111.3(3) . . . . ?
C23 Ta1 C1 C9 -101.5(3) . . . . ?
C16 Ta1 C1 C9 -170.0(3) . . . . ?
C4 Ta1 C1 C9 43.2(3) . . . . ?
C26 Ta1 C1 C9 -35.2(3) . . . . ?
C24 Ta1 C1 C9 -97.4(3) . . . . ?
C2 Ta1 C1 C9 112.5(4) . . . . ?
C3 Ta1 C1 C9 81.7(3) . . . . ?
C25 Ta1 C1 C9 -67.8(3) . . . . ?
C9 C1 C2 C3 -41.4(5) . . . . ?
Ta1 C1 C2 C3 59.0(3) . . . . ?
C9 C1 C2 Ta1 -100.4(3) . . . . ?
C18 Ta1 C2 C3 53.0(3) . . . . ?
C23 Ta1 C2 C3 144.7(3) . . . . ?
C16 Ta1 C2 C3 136.8(3) . . . . ?
C4 Ta1 C2 C3 -32.6(2) . . . . ?
C1 Ta1 C2 C3 -126.2(4) . . . . ?
C26 Ta1 C2 C3 -85.3(3) . . . . ?
C24 Ta1 C2 C3 -167.1(2) . . . . ?
C25 Ta1 C2 C3 -126.6(2) . . . . ?
C18 Ta1 C2 C1 179.2(2) . . . . ?
C23 Ta1 C2 C1 -89.0(4) . . . . ?
C16 Ta1 C2 C1 -97.0(3) . . . . ?
C4 Ta1 C2 C1 93.6(3) . . . . ?
C26 Ta1 C2 C1 40.9(3) . . . . ?
C24 Ta1 C2 C1 -40.9(3) . . . . ?
C3 Ta1 C2 C1 126.2(4) . . . . ?
C25 Ta1 C2 C1 -0.4(3) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
Ta1 C2 C3 C4 57.4(3) . . . . ?
C1 C2 C3 Ta1 -57.5(3) . . . . ?
C18 Ta1 C3 C2 -128.4(3) . . . . ?
C23 Ta1 C3 C2 -140.9(4) . . . . ?
C16 Ta1 C3 C2 -43.5(3) . . . . ?
C4 Ta1 C3 C2 126.1(4) . . . . ?
C1 Ta1 C3 C2 32.7(2) . . . . ?
C26 Ta1 C3 C2 115.4(3) . . . . ?
C24 Ta1 C3 C2 35.8(6) . . . . ?
C25 Ta1 C3 C2 78.5(3) . . . . ?
C18 Ta1 C3 C4 105.5(3) . . . . ?
C23 Ta1 C3 C4 93.0(4) . . . . ?
C16 Ta1 C3 C4 -169.6(3) . . . . ?
C1 Ta1 C3 C4 -93.3(3) . . . . ?
C26 Ta1 C3 C4 -10.7(3) . . . . ?
C24 Ta1 C3 C4 -90.3(5) . . . . ?
C2 Ta1 C3 C4 -126.1(4) . . . . ?
C25 Ta1 C3 C4 -47.5(3) . . . . ?
C2 C3 C4 C10 42.2(5) . . . . ?
Ta1 C3 C4 C10 101.0(3) . . . . ?
C2 C3 C4 Ta1 -58.8(3) . . . . ?
C18 Ta1 C4 C3 -72.9(3) . . . . ?
C23 Ta1 C4 C3 -147.4(2) . . . . ?
C16 Ta1 C4 C3 15.3(4) . . . . ?
C1 Ta1 C4 C3 70.0(3) . . . . ?
C26 Ta1 C4 C3 170.4(3) . . . . ?
C24 Ta1 C4 C3 153.0(3) . . . . ?
C2 Ta1 C4 C3 31.0(2) . . . . ?
C25 Ta1 C4 C3 147.0(3) . . . . ?
C18 Ta1 C4 C10 174.4(3) . . . . ?
C23 Ta1 C4 C10 99.9(3) . . . . ?
C16 Ta1 C4 C10 -97.4(3) . . . . ?
C1 Ta1 C4 C10 -42.7(3) . . . . ?
C26 Ta1 C4 C10 57.7(3) . . . . ?
C24 Ta1 C4 C10 40.4(4) . . . . ?
C2 Ta1 C4 C10 -81.7(3) . . . . ?
C3 Ta1 C4 C10 -112.7(4) . . . . ?
C25 Ta1 C4 C10 34.3(3) . . . . ?
C10 C5 C6 C7 0.2(8) . . . . ?
C5 C6 C7 C8 0.7(9) . . . . ?
C6 C7 C8 C9 -1.5(8) . . . . ?
C7 C8 C9 C10 1.4(7) . . . . ?
C7 C8 C9 C1 -175.4(4) . . . . ?
C2 C1 C9 C10 40.3(5) . . . . ?
Ta1 C1 C9 C10 -39.0(4) . . . . ?
C2 C1 C9 C8 -142.7(4) . . . . ?
Ta1 C1 C9 C8 138.1(4) . . . . ?
C8 C9 C10 C5 -0.5(6) . . . . ?
C1 C9 C10 C5 176.6(4) . . . . ?
C8 C9 C10 C4 -176.0(4) . . . . ?
C1 C9 C10 C4 1.1(5) . . . . ?
C6 C5 C10 C9 -0.3(7) . . . . ?
C6 C5 C10 C4 174.7(4) . . . . ?
C3 C4 C10 C9 -42.6(5) . . . . ?
Ta1 C4 C10 C9 37.4(4) . . . . ?
C3 C4 C10 C5 142.2(4) . . . . ?
Ta1 C4 C10 C5 -137.8(4) . . . . ?
N1 P1 C11 C12 7.9(3) . . . . ?
C23 P1 C11 C12 143.1(3) . . . . ?
C17 P1 C11 C12 -111.9(3) . . . . ?
N1 P1 C11 C16 -173.2(2) . . . . ?
C23 P1 C11 C16 -38.0(3) . . . . ?
C17 P1 C11 C16 67.0(3) . . . . ?
C16 C11 C12 C13 -1.7(6) . . . . ?
P1 C11 C12 C13 177.1(3) . . . . ?
C11 C12 C13 C14 0.3(6) . . . . ?
C12 C13 C14 C15 1.9(6) . . . . ?
C13 C14 C15 C16 -2.9(6) . . . . ?
C14 C15 C16 C11 1.5(5) . . . . ?
C14 C15 C16 Ta1 -178.2(3) . . . . ?
C12 C11 C16 C15 0.7(5) . . . . ?
P1 C11 C16 C15 -178.1(3) . . . . ?
C12 C11 C16 Ta1 -179.5(3) . . . . ?
P1 C11 C16 Ta1 1.6(3) . . . . ?
C18 Ta1 C16 C15 127.0(4) . . . . ?
C23 Ta1 C16 C15 -154.4(4) . . . . ?
C4 Ta1 C16 C15 36.6(4) . . . . ?
C1 Ta1 C16 C15 -13.4(4) . . . . ?
C26 Ta1 C16 C15 -107.2(4) . . . . ?
C24 Ta1 C16 C15 -117.5(4) . . . . ?
C2 Ta1 C16 C15 22.6(3) . . . . ?
C3 Ta1 C16 C15 45.7(4) . . . . ?
C25 Ta1 C16 C15 -96.8(4) . . . . ?
C18 Ta1 C16 C11 -52.7(3) . . . . ?
C23 Ta1 C16 C11 25.9(2) . . . . ?
C4 Ta1 C16 C11 -143.1(3) . . . . ?
C1 Ta1 C16 C11 166.9(3) . . . . ?
C26 Ta1 C16 C11 73.1(3) . . . . ?
C24 Ta1 C16 C11 62.8(3) . . . . ?
C2 Ta1 C16 C11 -157.1(3) . . . . ?
C3 Ta1 C16 C11 -134.0(3) . . . . ?
C25 Ta1 C16 C11 83.5(3) . . . . ?
N1 P1 C17 C22 -5.8(4) . . . . ?
C23 P1 C17 C22 -137.9(3) . . . . ?
C11 P1 C17 C22 116.0(3) . . . . ?
N1 P1 C17 C18 174.4(2) . . . . ?
C23 P1 C17 C18 42.4(3) . . . . ?
C11 P1 C17 C18 -63.7(3) . . . . ?
C22 C17 C18 C19 0.7(5) . . . . ?
P1 C17 C18 C19 -179.6(3) . . . . ?
C22 C17 C18 Ta1 174.9(3) . . . . ?
P1 C17 C18 Ta1 -5.3(3) . . . . ?
C23 Ta1 C18 C19 148.7(4) . . . . ?
C16 Ta1 C18 C19 -130.7(4) . . . . ?
C4 Ta1 C18 C19 7.3(4) . . . . ?
C1 Ta1 C18 C19 -52.9(5) . . . . ?
C26 Ta1 C18 C19 89.2(4) . . . . ?
C24 Ta1 C18 C19 157.9(4) . . . . ?
C2 Ta1 C18 C19 -53.7(4) . . . . ?
C3 Ta1 C18 C19 -26.9(4) . . . . ?
C25 Ta1 C18 C19 125.8(4) . . . . ?
C23 Ta1 C18 C17 -24.5(3) . . . . ?
C16 Ta1 C18 C17 56.0(3) . . . . ?
C4 Ta1 C18 C17 -166.0(3) . . . . ?
C1 Ta1 C18 C17 133.8(3) . . . . ?
C26 Ta1 C18 C17 -84.1(3) . . . . ?
C24 Ta1 C18 C17 -15.4(3) . . . . ?
C2 Ta1 C18 C17 133.1(3) . . . . ?
C3 Ta1 C18 C17 159.8(3) . . . . ?
C25 Ta1 C18 C17 -47.4(4) . . . . ?
C17 C18 C19 C20 -0.8(6) . . . . ?
Ta1 C18 C19 C20 -174.2(4) . . . . ?
C18 C19 C20 C21 0.0(8) . . . . ?
C19 C20 C21 C22 1.0(8) . . . . ?
C20 C21 C22 C17 -1.1(7) . . . . ?
C18 C17 C22 C21 0.3(6) . . . . ?
P1 C17 C22 C21 -179.4(3) . . . . ?
N1 P1 C23 C24 103.5(3) . . . . ?
C17 P1 C23 C24 -134.6(3) . . . . ?
C11 P1 C23 C24 -24.5(3) . . . . ?
N1 P1 C23 C28 -58.8(3) . . . . ?
C17 P1 C23 C28 63.1(3) . . . . ?
C11 P1 C23 C28 173.3(3) . . . . ?
N1 P1 C23 Ta1 -178.97(15) . . . . ?
C17 P1 C23 Ta1 -57.08(17) . . . . ?
C11 P1 C23 Ta1 53.05(17) . . . . ?
C18 Ta1 C23 C24 165.8(2) . . . . ?
C16 Ta1 C23 C24 77.0(2) . . . . ?
C4 Ta1 C23 C24 -114.7(3) . . . . ?
C1 Ta1 C23 C24 6.8(3) . . . . ?
C26 Ta1 C23 C24 -69.5(2) . . . . ?
C2 Ta1 C23 C24 69.1(4) . . . . ?
C3 Ta1 C23 C24 178.4(3) . . . . ?
C25 Ta1 C23 C24 -32.3(2) . . . . ?
C18 Ta1 C23 C28 -80.6(3) . . . . ?
C16 Ta1 C23 C28 -169.4(3) . . . . ?
C4 Ta1 C23 C28 -1.0(4) . . . . ?
C1 Ta1 C23 C28 120.5(3) . . . . ?
C26 Ta1 C23 C28 44.2(2) . . . . ?
C24 Ta1 C23 C28 113.6(3) . . . . ?
C2 Ta1 C23 C28 -177.3(3) . . . . ?
C3 Ta1 C23 C28 -67.9(5) . . . . ?
C25 Ta1 C23 C28 81.4(3) . . . . ?
C18 Ta1 C23 P1 45.09(15) . . . . ?
C16 Ta1 C23 P1 -43.76(15) . . . . ?
C4 Ta1 C23 P1 124.6(2) . . . . ?
C1 Ta1 C23 P1 -113.9(2) . . . . ?
C26 Ta1 C23 P1 169.8(2) . . . . ?
C24 Ta1 C23 P1 -120.7(3) . . . . ?
C2 Ta1 C23 P1 -51.7(4) . . . . ?
C3 Ta1 C23 P1 57.7(4) . . . . ?
C25 Ta1 C23 P1 -153.0(2) . . . . ?
C28 C23 C24 C25 -43.0(5) . . . . ?
P1 C23 C24 C25 154.6(3) . . . . ?
Ta1 C23 C24 C25 62.2(3) . . . . ?
C28 C23 C24 Ta1 -105.2(3) . . . . ?
P1 C23 C24 Ta1 92.4(3) . . . . ?
C18 Ta1 C24 C25 -138.7(2) . . . . ?
C23 Ta1 C24 C25 -123.5(3) . . . . ?
C16 Ta1 C24 C25 141.9(3) . . . . ?
C4 Ta1 C24 C25 -10.3(4) . . . . ?
C1 Ta1 C24 C25 61.1(3) . . . . ?
C26 Ta1 C24 C25 -29.9(2) . . . . ?
C2 Ta1 C24 C25 84.4(3) . . . . ?
C3 Ta1 C24 C25 58.4(6) . . . . ?
C18 Ta1 C24 C23 -15.2(2) . . . . ?
C16 Ta1 C24 C23 -94.6(2) . . . . ?
C4 Ta1 C24 C23 113.2(3) . . . . ?
C1 Ta1 C24 C23 -175.3(2) . . . . ?
C26 Ta1 C24 C23 93.7(2) . . . . ?
C2 Ta1 C24 C23 -152.1(2) . . . . ?
C3 Ta1 C24 C23 -178.1(4) . . . . ?
C25 Ta1 C24 C23 123.5(3) . . . . ?
C23 C24 C25 C26 -4.8(5) . . . . ?
Ta1 C24 C25 C26 54.2(3) . . . . ?
C23 C24 C25 Ta1 -59.0(3) . . . . ?
C18 Ta1 C25 C24 60.2(3) . . . . ?
C23 Ta1 C25 C24 34.4(2) . . . . ?
C16 Ta1 C25 C24 -37.3(3) . . . . ?
C4 Ta1 C25 C24 173.3(2) . . . . ?
C1 Ta1 C25 C24 -120.6(3) . . . . ?
C26 Ta1 C25 C24 129.7(4) . . . . ?
C2 Ta1 C25 C24 -120.4(3) . . . . ?
C3 Ta1 C25 C24 -159.9(2) . . . . ?
C18 Ta1 C25 C26 -69.5(3) . . . . ?
C23 Ta1 C25 C26 -95.3(3) . . . . ?
C16 Ta1 C25 C26 -167.0(2) . . . . ?
C4 Ta1 C25 C26 43.6(3) . . . . ?
C1 Ta1 C25 C26 109.7(2) . . . . ?
C24 Ta1 C25 C26 -129.7(4) . . . . ?
C2 Ta1 C25 C26 109.9(3) . . . . ?
C3 Ta1 C25 C26 70.4(3) . . . . ?
C24 C25 C26 C27 42.0(5) . . . . ?
Ta1 C25 C26 C27 96.5(3) . . . . ?
C24 C25 C26 Ta1 -54.5(3) . . . . ?
C18 Ta1 C26 C25 133.0(2) . . . . ?
C23 Ta1 C26 C25 68.7(2) . . . . ?
C16 Ta1 C26 C25 18.1(3) . . . . ?
C4 Ta1 C26 C25 -138.3(3) . . . . ?
C1 Ta1 C26 C25 -70.7(2) . . . . ?
C24 Ta1 C26 C25 29.4(2) . . . . ?
C2 Ta1 C26 C25 -93.5(3) . . . . ?
C3 Ta1 C26 C25 -132.1(2) . . . . ?
C18 Ta1 C26 C27 13.5(3) . . . . ?
C23 Ta1 C26 C27 -50.8(3) . . . . ?
C16 Ta1 C26 C27 -101.3(3) . . . . ?
C4 Ta1 C26 C27 102.2(3) . . . . ?
C1 Ta1 C26 C27 169.9(3) . . . . ?
C24 Ta1 C26 C27 -90.1(3) . . . . ?
C2 Ta1 C26 C27 147.0(3) . . . . ?
C3 Ta1 C26 C27 108.5(3) . . . . ?
C25 Ta1 C26 C27 -119.5(4) . . . . ?
C25 C26 C27 C28 -28.1(5) . . . . ?
Ta1 C26 C27 C28 52.6(4) . . . . ?
C24 C23 C28 C27 53.3(5) . . . . ?
P1 C23 C28 C27 -143.6(3) . . . . ?
Ta1 C23 C28 C27 -28.7(4) . . . . ?
C26 C27 C28 C23 -16.9(5) . . . . ?
N1 P2 C29 C30 -169.8(3) . . . . ?
C41 P2 C29 C30 -48.3(4) . . . . ?
C35 P2 C29 C30 66.3(4) . . . . ?
N1 P2 C29 C34 9.8(4) . . . . ?
C41 P2 C29 C34 131.3(3) . . . . ?
C35 P2 C29 C34 -114.0(3) . . . . ?
C34 C29 C30 C31 0.1(7) . . . . ?
P2 C29 C30 C31 179.7(4) . . . . ?
C29 C30 C31 C32 -0.5(8) . . . . ?
C30 C31 C32 C33 1.0(8) . . . . ?
C31 C32 C33 C34 -1.2(7) . . . . ?
C30 C29 C34 C33 -0.3(7) . . . . ?
P2 C29 C34 C33 -179.9(3) . . . . ?
C32 C33 C34 C29 0.8(7) . . . . ?
N1 P2 C35 C40 -88.2(4) . . . . ?
C29 P2 C35 C40 31.5(4) . . . . ?
C41 P2 C35 C40 146.9(3) . . . . ?
N1 P2 C35 C36 85.1(3) . . . . ?
C29 P2 C35 C36 -155.1(3) . . . . ?
C41 P2 C35 C36 -39.8(3) . . . . ?
C40 C35 C36 C37 -0.3(6) . . . . ?
P2 C35 C36 C37 -173.6(3) . . . . ?
C35 C36 C37 C38 1.0(6) . . . . ?
C36 C37 C38 C39 -0.6(7) . . . . ?
C37 C38 C39 C40 -0.5(8) . . . . ?
C36 C35 C40 C39 -0.9(7) . . . . ?
P2 C35 C40 C39 172.5(4) . . . . ?
C38 C39 C40 C35 1.3(8) . . . . ?
N1 P2 C41 C46 26.0(3) . . . . ?
C29 P2 C41 C46 -93.0(3) . . . . ?
C35 P2 C41 C46 152.3(3) . . . . ?
N1 P2 C41 C42 -155.0(3) . . . . ?
C29 P2 C41 C42 86.0(3) . . . . ?
C35 P2 C41 C42 -28.6(3) . . . . ?
C46 C41 C42 C43 -2.4(6) . . . . ?
P2 C41 C42 C43 178.5(3) . . . . ?
C41 C42 C43 C44 2.4(6) . . . . ?
C42 C43 C44 C45 -0.8(7) . . . . ?
C43 C44 C45 C46 -0.6(7) . . . . ?
C42 C41 C46 C45 1.0(6) . . . . ?
P2 C41 C46 C45 -180.0(3) . . . . ?
C44 C45 C46 C41 0.5(7) . . . . ?
C50 O1 C47 C48 -15(2) . . . . ?
O1 C47 C48 C49 48(2) . . . . ?
C47 C48 C49 C50 -62(2) . . . . ?
C47 O1 C50 C49 -25(2) . . . . ?
C48 C49 C50 O1 53.0(19) . . . . ?
C50' O1' C47' C48' 43.9(16) . . . . ?
O1' C47' C48' C49' -44.2(18) . . . . ?
C47' C48' C49' C50' 28.0(18) . . . . ?
C47' O1' C50' C49' -26.7(16) . . . . ?
C48' C49' C50' O1' -1.3(17) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.818
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.085