# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2007


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
'Sheng-Hsien Chiu'
'Nai-Chia Chen'
'Po-Yi Huang'
'Chien-Chen Lai'
;
Yi-Hung Liu
;
'Shie-ming Peng'
_publ_contact_author_name        'Sheng-Hsien Chiu'
_publ_contact_author_email       SHCHIU@NTU.EDU.TW

data_ic12642
_database_code_depnum_ccdc_archive 'CCDC 640451'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74.50 H78 F18 N3 Na O7 P5'
_chemical_formula_weight         1647.24

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'
Na Na 0.0362 0.0249 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.2597(2)
_cell_length_b                   14.8941(2)
_cell_length_c                   26.3207(4)
_cell_angle_alpha                86.374(1)
_cell_angle_beta                 82.008(1)
_cell_angle_gamma                77.480(1)
_cell_volume                     3885.98(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    76358
_cell_measurement_theta_min      1
_cell_measurement_theta_max      27.

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1700
_exptl_absorpt_coefficient_mu    0.221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.929
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24690
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0498
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.40
_diffrn_reflns_theta_max         25.00
_reflns_number_total             13666
_reflns_number_gt                9212
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'COLLECT (Nonius BV)'
_computing_cell_refinement       'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_data_reduction        'HKL Denzo & Scalepack (Otwinowski & Minor)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  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.
Because of the large correlation between thermal parameters, the restraint
was necessary for convergence of the refinement process. In large
supermolecular structure with poor data to parameter ratios, they
often are needed with geometrical and anisotropic displacement parameters
restraints.
;

_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^)+(0.1000P)^2^+3.6000P] 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     SHELXL
_refine_ls_extinction_coef       0.0094(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         13666
_refine_ls_number_parameters     1030
_refine_ls_number_restraints     450
_refine_ls_R_factor_all          0.1548
_refine_ls_R_factor_gt           0.1196
_refine_ls_wR_factor_ref         0.3381
_refine_ls_wR_factor_gt          0.3203
_refine_ls_goodness_of_fit_ref   1.751
_refine_ls_restrained_S_all      1.912
_refine_ls_shift/su_max          0.078
_refine_ls_shift/su_mean         0.003

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
Na1 Na 0.5427(3) 0.98315(16) -0.16960(9) 0.0447(6) Uani 1 1 d . . .
P1 P 0.84415(18) 0.55743(11) -0.16168(6) 0.0409(4) Uani 1 1 d . . .
P2 P 0.31303(16) 1.22971(10) -0.37787(6) 0.0342(4) Uani 1 1 d . . .
O1 O 0.3163(5) 1.0849(3) -0.16024(18) 0.0583(13) Uani 1 1 d . . .
O2 O 0.3274(5) 0.7806(4) -0.3430(2) 0.0630(14) Uani 1 1 d . . .
O3 O 0.5629(5) 0.7415(3) -0.42035(19) 0.0598(13) Uani 1 1 d . . .
O4 O 0.8026(5) 0.7330(4) -0.38492(18) 0.0643(14) Uani 1 1 d . . .
O5 O 0.7830(5) 1.0208(4) -0.1941(2) 0.0623(13) Uani 1 1 d . . .
O6 O 0.5487(6) 1.1278(3) -0.1387(2) 0.0628(14) Uani 1 1 d . . .
N1 N 0.5812(5) 0.8350(3) -0.20827(18) 0.0355(11) Uani 1 1 d . . .
N2 N 0.5253(5) 0.9985(3) -0.25912(18) 0.0383(12) Uani 1 1 d . . .
N3 N 0.5024(8) 0.9232(5) -0.0822(3) 0.077(2) Uani 1 1 d . . .
C1 C 0.1951(9) 1.0502(7) -0.1533(3) 0.079(3) Uani 1 1 d . . .
H1A H 0.1178 1.1005 -0.1595 0.094 Uiso 1 1 calc R . .
H1B H 0.1788 1.0262 -0.1175 0.094 Uiso 1 1 calc R . .
C2 C 0.2080(7) 0.9751(6) -0.1898(3) 0.063(2) Uani 1 1 d . . .
C3 C 0.2365(8) 0.8833(7) -0.1739(3) 0.075(2) Uani 1 1 d . . .
H3A H 0.2436 0.8683 -0.1386 0.090 Uiso 1 1 calc R . .
C4 C 0.2546(8) 0.8137(6) -0.2071(3) 0.064(2) Uani 1 1 d . . .
H4A H 0.2764 0.7516 -0.1948 0.077 Uiso 1 1 calc R . .
C5 C 0.2416(6) 0.8328(5) -0.2587(3) 0.0574(19) Uani 1 1 d . . .
C6 C 0.2109(7) 0.9245(5) -0.2753(3) 0.0586(19) Uani 1 1 d . . .
H6A H 0.2002 0.9391 -0.3103 0.070 Uiso 1 1 calc R . .
C7 C 0.1955(7) 0.9945(6) -0.2417(3) 0.061(2) Uani 1 1 d . . .
H7A H 0.1762 1.0566 -0.2540 0.073 Uiso 1 1 calc R . .
C8 C 0.2616(7) 0.7565(5) -0.2950(3) 0.062(2) Uani 1 1 d . . .
H8A H 0.3162 0.6999 -0.2806 0.075 Uiso 1 1 calc R . .
H8B H 0.1732 0.7437 -0.2995 0.075 Uiso 1 1 calc R . .
C9 C 0.3496(9) 0.7086(6) -0.3781(4) 0.075(2) Uani 1 1 d . . .
H9A H 0.2624 0.6973 -0.3853 0.090 Uiso 1 1 calc R . .
H9B H 0.4008 0.6511 -0.3633 0.090 Uiso 1 1 calc R . .
C10 C 0.4271(9) 0.7365(7) -0.4264(3) 0.073(2) Uani 1 1 d . . .
H10A H 0.4301 0.6918 -0.4531 0.088 Uiso 1 1 calc R . .
H10B H 0.3795 0.7975 -0.4386 0.088 Uiso 1 1 calc R . .
C11 C 0.6539(8) 0.6566(5) -0.4165(3) 0.061(2) Uani 1 1 d . . .
H11A H 0.6441 0.6155 -0.4432 0.073 Uiso 1 1 calc R . .
H11B H 0.6344 0.6265 -0.3825 0.073 Uiso 1 1 calc R . .
C12 C 0.7928(8) 0.6722(6) -0.4233(3) 0.067(2) Uani 1 1 d . . .
H12A H 0.8577 0.6131 -0.4198 0.081 Uiso 1 1 calc R . .
H12B H 0.8140 0.6997 -0.4578 0.081 Uiso 1 1 calc R . .
C13 C 0.9258(8) 0.7614(7) -0.3906(3) 0.076(3) Uani 1 1 d . . .
H13A H 0.9468 0.7853 -0.4260 0.091 Uiso 1 1 calc R . .
H13B H 0.9994 0.7090 -0.3834 0.091 Uiso 1 1 calc R . .
C14 C 0.9117(7) 0.8362(6) -0.3527(3) 0.062(2) Uani 1 1 d . . .
C15 C 0.9000(6) 0.8156(6) -0.3009(3) 0.0562(19) Uani 1 1 d . . .
H15A H 0.9092 0.7532 -0.2891 0.067 Uiso 1 1 calc R . .
C16 C 0.8751(7) 0.8844(5) -0.2655(3) 0.0531(18) Uani 1 1 d . . .
H16A H 0.8683 0.8683 -0.2298 0.064 Uiso 1 1 calc R . .
C17 C 0.8600(6) 0.9759(5) -0.2812(3) 0.0546(18) Uani 1 1 d . . .
C18 C 0.8736(7) 0.9976(6) -0.3335(3) 0.064(2) Uani 1 1 d . . .
H18A H 0.8645 1.0600 -0.3452 0.077 Uiso 1 1 calc R . .
C19 C 0.9004(8) 0.9288(7) -0.3684(3) 0.072(2) Uani 1 1 d . . .
H19A H 0.9115 0.9445 -0.4040 0.086 Uiso 1 1 calc R . .
C20 C 0.8321(8) 1.0515(5) -0.2440(3) 0.064(2) Uani 1 1 d . . .
H20A H 0.9158 1.0735 -0.2424 0.077 Uiso 1 1 calc R . .
H20B H 0.7646 1.1037 -0.2560 0.077 Uiso 1 1 calc R . .
C21 C 0.7847(10) 1.0819(7) -0.1548(4) 0.082(3) Uani 1 1 d . . .
H21A H 0.8692 1.1050 -0.1613 0.099 Uiso 1 1 calc R . .
H21B H 0.7836 1.0477 -0.1213 0.099 Uiso 1 1 calc R . .
C22 C 0.6664(10) 1.1626(6) -0.1521(4) 0.083(3) Uani 1 1 d . . .
H22A H 0.6741 1.2057 -0.1261 0.100 Uiso 1 1 calc R . .
H22B H 0.6639 1.1961 -0.1858 0.100 Uiso 1 1 calc R . .
C23 C 0.4285(10) 1.1976(5) -0.1400(3) 0.072(2) Uani 1 1 d . . .
H23A H 0.4250 1.2258 -0.1750 0.086 Uiso 1 1 calc R . .
H23B H 0.4269 1.2464 -0.1160 0.086 Uiso 1 1 calc R . .
C24 C 0.3131(9) 1.1540(6) -0.1250(3) 0.074(2) Uani 1 1 d . . .
H24A H 0.3168 1.1261 -0.0899 0.088 Uiso 1 1 calc R . .
H24B H 0.2282 1.2007 -0.1249 0.088 Uiso 1 1 calc R . .
C25 C 0.6078(6) 0.7540(4) -0.1818(2) 0.0381(14) Uani 1 1 d . . .
H25A H 0.6123 0.7554 -0.1460 0.046 Uiso 1 1 calc R . .
C26 C 0.6289(6) 0.6690(4) -0.2033(2) 0.0375(14) Uani 1 1 d . . .
C27 C 0.6139(6) 0.6691(4) -0.2549(2) 0.0397(14) Uani 1 1 d . . .
H27A H 0.6224 0.6126 -0.2711 0.048 Uiso 1 1 calc R . .
C28 C 0.5868(6) 0.7511(4) -0.2825(2) 0.0380(14) Uani 1 1 d . . .
H28A H 0.5773 0.7511 -0.3179 0.046 Uiso 1 1 calc R . .
C29 C 0.5735(5) 0.8330(4) -0.2588(2) 0.0340(13) Uani 1 1 d . . .
C30 C 0.5489(5) 0.9234(4) -0.2873(2) 0.0329(13) Uani 1 1 d . . .
C31 C 0.5533(6) 0.9297(4) -0.3401(2) 0.0374(14) Uani 1 1 d . . .
H31A H 0.5721 0.8758 -0.3596 0.045 Uiso 1 1 calc R . .
C32 C 0.5297(6) 1.0163(4) -0.3643(2) 0.0411(14) Uani 1 1 d . . .
H32A H 0.5322 1.0218 -0.4006 0.049 Uiso 1 1 calc R . .
C33 C 0.5026(6) 1.0945(4) -0.3358(2) 0.0361(13) Uani 1 1 d . . .
C34 C 0.5023(6) 1.0813(4) -0.2829(2) 0.0384(14) Uani 1 1 d . . .
H34A H 0.4846 1.1342 -0.2626 0.046 Uiso 1 1 calc R . .
C35 C 0.6680(7) 0.5810(4) -0.1718(2) 0.0437(15) Uani 1 1 d . . .
H35A H 0.6507 0.5289 -0.1895 0.052 Uiso 1 1 calc R . .
H35B H 0.6110 0.5858 -0.1380 0.052 Uiso 1 1 calc R . .
C36 C 0.4790(6) 1.1910(4) -0.3597(2) 0.0402(14) Uani 1 1 d . . .
H36A H 0.5460 1.1927 -0.3905 0.048 Uiso 1 1 calc R . .
H36B H 0.4937 1.2340 -0.3350 0.048 Uiso 1 1 calc R . .
C37 C 0.9526(7) 0.5418(4) -0.2216(2) 0.0434(15) Uani 1 1 d . . .
C38 C 1.0859(8) 0.5504(5) -0.2242(3) 0.0547(18) Uani 1 1 d . . .
H38A H 1.1178 0.5678 -0.1948 0.066 Uiso 1 1 calc R . .
C39 C 1.1716(9) 0.5335(5) -0.2694(4) 0.067(2) Uani 1 1 d . . .
H39A H 1.2632 0.5376 -0.2708 0.081 Uiso 1 1 calc R . .
C40 C 1.1257(10) 0.5111(5) -0.3119(3) 0.069(2) Uani 1 1 d . . .
H40A H 1.1847 0.5018 -0.3432 0.083 Uiso 1 1 calc R . .
C41 C 0.9934(9) 0.5016(5) -0.3102(3) 0.064(2) Uani 1 1 d . . .
H41 H 0.9621 0.4857 -0.3400 0.077 Uiso 1 1 calc R . .
C42 C 0.9072(8) 0.5157(4) -0.2645(3) 0.0500(17) Uani 1 1 d . . .
H42A H 0.8173 0.5075 -0.2626 0.060 Uiso 1 1 calc R . .
C43 C 0.8845(9) 0.4557(5) -0.1216(3) 0.0564(19) Uani 1 1 d . . .
C44 C 1.0079(9) 0.4380(6) -0.1025(3) 0.082(3) Uani 1 1 d . . .
H44A H 1.0655 0.4805 -0.1101 0.099 Uiso 1 1 calc R . .
C45 C 1.0474(12) 0.3610(8) -0.0729(4) 0.101(4) Uani 1 1 d . . .
H45A H 1.1305 0.3510 -0.0592 0.122 Uiso 1 1 calc R . .
C46 C 0.9697(15) 0.3005(7) -0.0635(4) 0.104(3) Uani 1 1 d U . .
H46A H 1.0004 0.2455 -0.0444 0.125 Uiso 1 1 calc R . .
C47 C 0.8440(15) 0.3144(7) -0.0807(4) 0.110(3) Uani 1 1 d U . .
H47A H 0.7885 0.2707 -0.0726 0.132 Uiso 1 1 calc R . .
C48 C 0.8010(13) 0.3957(6) -0.1106(3) 0.098(3) Uani 1 1 d U . .
H48A H 0.7156 0.4079 -0.1227 0.118 Uiso 1 1 calc R . .
C49 C 0.8679(7) 0.6529(4) -0.1287(3) 0.0461(16) Uani 1 1 d . . .
C50 C 0.8157(8) 0.6596(5) -0.0770(3) 0.0588(19) Uani 1 1 d . . .
H50A H 0.7815 0.6103 -0.0593 0.071 Uiso 1 1 calc R . .
C51 C 0.8141(10) 0.7382(6) -0.0518(3) 0.074(3) Uani 1 1 d . . .
H51A H 0.7778 0.7434 -0.0166 0.089 Uiso 1 1 calc R . .
C52 C 0.8644(9) 0.8085(6) -0.0772(4) 0.075(3) Uani 1 1 d . . .
H52A H 0.8615 0.8628 -0.0596 0.090 Uiso 1 1 calc R . .
C53 C 0.9190(8) 0.8021(5) -0.1278(4) 0.067(2) Uani 1 1 d . . .
H53A H 0.9563 0.8508 -0.1447 0.080 Uiso 1 1 calc R . .
C54 C 0.9196(7) 0.7246(5) -0.1541(3) 0.0541(18) Uani 1 1 d . . .
H54A H 0.9553 0.7204 -0.1894 0.065 Uiso 1 1 calc R . .
C55 C 0.2834(6) 1.1484(4) -0.4201(2) 0.0398(14) Uani 1 1 d . . .
C56 C 0.3276(7) 1.1582(5) -0.4721(3) 0.0519(17) Uani 1 1 d . . .
H56A H 0.3665 1.2089 -0.4848 0.062 Uiso 1 1 calc R . .
C57 C 0.3144(10) 1.0938(6) -0.5047(3) 0.075(2) Uani 1 1 d . . .
H57A H 0.3442 1.0998 -0.5403 0.090 Uiso 1 1 calc R . .
C58 C 0.2581(9) 1.0202(6) -0.4862(4) 0.072(2) Uani 1 1 d . . .
H58A H 0.2485 0.9762 -0.5092 0.087 Uiso 1 1 calc R . .
C59 C 0.2166(8) 1.0101(5) -0.4357(3) 0.0588(19) Uani 1 1 d . . .
H59A H 0.1791 0.9587 -0.4233 0.071 Uiso 1 1 calc R . .
C60 C 0.2281(7) 1.0740(4) -0.4018(3) 0.0462(16) Uani 1 1 d . . .
H60A H 0.1984 1.0669 -0.3662 0.055 Uiso 1 1 calc R . .
C61 C 0.3044(7) 1.3398(4) -0.4109(2) 0.0387(14) Uani 1 1 d . . .
C62 C 0.1884(8) 1.3804(5) -0.4318(3) 0.0536(18) Uani 1 1 d . . .
H62A H 0.1158 1.3496 -0.4299 0.064 Uiso 1 1 calc R . .
C63 C 0.1798(10) 1.4681(5) -0.4558(3) 0.071(2) Uani 1 1 d . . .
H63A H 0.1006 1.4977 -0.4701 0.085 Uiso 1 1 calc R . .
C64 C 0.2864(12) 1.5106(5) -0.4586(3) 0.073(3) Uani 1 1 d . . .
H64A H 0.2805 1.5700 -0.4749 0.087 Uiso 1 1 calc R . .
C65 C 0.3981(11) 1.4702(5) -0.4390(3) 0.073(2) Uani 1 1 d . . .
H65A H 0.4710 1.5008 -0.4418 0.088 Uiso 1 1 calc R . .
C66 C 0.4101(8) 1.3848(5) -0.4147(3) 0.0563(19) Uani 1 1 d . . .
H66A H 0.4903 1.3569 -0.4007 0.068 Uiso 1 1 calc R . .
C67 C 0.1880(6) 1.2435(4) -0.3225(2) 0.0364(13) Uani 1 1 d . . .
C68 C 0.2178(7) 1.2693(4) -0.2765(2) 0.0440(15) Uani 1 1 d . . .
H68A H 0.3069 1.2742 -0.2729 0.053 Uiso 1 1 calc R . .
C69 C 0.1154(8) 1.2878(5) -0.2356(3) 0.0556(19) Uani 1 1 d . . .
H69A H 0.1353 1.3048 -0.2038 0.067 Uiso 1 1 calc R . .
C70 C -0.0121(8) 1.2820(5) -0.2404(3) 0.061(2) Uani 1 1 d . . .
H70A H -0.0801 1.2941 -0.2119 0.073 Uiso 1 1 calc R . .
C71 C -0.0445(7) 1.2588(5) -0.2865(3) 0.0565(19) Uani 1 1 d . . .
H71A H -0.1347 1.2564 -0.2898 0.068 Uiso 1 1 calc R . .
C72 C 0.0549(6) 1.2392(4) -0.3277(3) 0.0458(15) Uani 1 1 d . . .
H72A H 0.0336 1.2228 -0.3594 0.055 Uiso 1 1 calc R . .
C73 C 0.4660(9) 0.9027(5) -0.0418(3) 0.063(2) Uani 1 1 d . . .
C74 C 0.4185(11) 0.8760(7) 0.0100(3) 0.093(3) Uani 1 1 d . . .
H74A H 0.3241 0.9069 0.0187 0.140 Uiso 1 1 calc R . .
H74B H 0.4731 0.8939 0.0338 0.140 Uiso 1 1 calc R . .
H74C H 0.4261 0.8092 0.0126 0.140 Uiso 1 1 calc R . .
P3 P 0.0000 0.0000 0.0000 0.0596(8) Uani 1 2 d SU . .
F1 F 0.1206(6) 0.0502(4) -0.01536(19) 0.0972(17) Uani 1 1 d U . .
F2 F 0.0604(7) -0.0344(6) 0.0502(2) 0.126(2) Uani 1 1 d U . .
F3 F -0.0844(7) 0.0829(5) 0.0314(3) 0.128(2) Uani 1 1 d U . .
P4 P 0.1707(2) -0.22868(18) 0.45674(8) 0.0684(6) Uani 1 1 d DU A 1
F4 F 0.0614(9) -0.2811(8) 0.4616(4) 0.183(3) Uani 1 1 d DU A 1
F5 F 0.2777(8) -0.1713(6) 0.4512(3) 0.167(3) Uani 1 1 d DU A 1
F6 F 0.1564(7) -0.2238(7) 0.5145(2) 0.164(3) Uani 1 1 d DU A 1
F7 F 0.2890(8) -0.3076(7) 0.4559(3) 0.181(3) Uani 1 1 d DU A 1
F8 F 0.1946(8) -0.2314(7) 0.3975(3) 0.155(3) Uani 1 1 d DU A 1
F9 F 0.0588(11) -0.1508(8) 0.4555(4) 0.232(4) Uani 1 1 d DU A 1
P5 P -0.5539(6) 0.6085(4) 0.2600(2) 0.1668(18) Uani 1 1 d DU . .
F10 F -0.4692(12) 0.5929(8) 0.3055(4) 0.213(4) Uani 1 1 d DU . .
F11 F -0.6459(6) 0.6188(4) 0.2198(3) 0.120(2) Uani 1 1 d DU . .
F12 F -0.5990(7) 0.7045(4) 0.2762(3) 0.133(2) Uani 1 1 d DU . .
F13 F -0.4322(7) 0.6258(6) 0.2278(3) 0.147(2) Uani 1 1 d DU . .
F14 F -0.4924(11) 0.5068(6) 0.2481(5) 0.203(3) Uani 1 1 d DU . .
F15 F -0.6408(11) 0.5644(6) 0.2963(4) 0.192(3) Uani 1 1 d DU . .
P6 P 1.5365(15) 0.5915(10) 0.0238(5) 0.224(4) Uani 0.50 1 d PDU . 1
F16 F 1.425(2) 0.5383(15) 0.0145(8) 0.226(5) Uani 0.50 1 d PDU . 1
F17 F 1.6311(18) 0.6416(13) 0.0355(6) 0.171(5) Uani 0.50 1 d PDU B 1
F18 F 1.519(2) 0.5422(14) 0.0759(6) 0.210(6) Uani 0.50 1 d PDU C 1
F19 F 1.649(2) 0.5211(14) 0.0010(8) 0.229(5) Uani 0.50 1 d PDU . 1
F20 F 1.532(2) 0.6352(14) -0.0302(6) 0.216(6) Uani 0.50 1 d PDU D 1
F21 F 1.431(2) 0.6671(12) 0.0433(7) 0.206(6) Uani 0.50 1 d PDU E 1
O7 O 1.238(2) 0.6435(15) -0.0896(10) 0.190(10) Uani 0.50 1 d PDU . .
H7 H 1.1545 0.6618 -0.0838 0.228 Uiso 0.50 1 calc PR . .
C75 C 1.294(3) 0.6919(17) -0.0676(12) 0.184(11) Uani 0.50 1 d PDU . .
H75A H 1.2677 0.6860 -0.0304 0.275 Uiso 0.50 1 calc PR . .
H75B H 1.2657 0.7562 -0.0791 0.275 Uiso 0.50 1 calc PR . .
H75C H 1.3915 0.6721 -0.0755 0.275 Uiso 0.50 1 calc PR . .
O8 O -0.785(2) 0.5547(10) 0.3844(8) 0.168(9) Uani 0.50 1 d P . .
H8 H -0.7272 0.5300 0.3828 0.252 Uiso 0.50 1 d PR . .
H9 H -0.7832 0.6037 0.3978 0.252 Uiso 0.50 1 d PR . .

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
Na1 0.0575(16) 0.0372(13) 0.0400(13) -0.0035(10) -0.0083(11) -0.0090(12)
P1 0.0530(10) 0.0305(8) 0.0378(9) 0.0000(6) -0.0098(7) -0.0036(7)
P2 0.0365(9) 0.0304(8) 0.0357(8) 0.0009(6) -0.0051(6) -0.0073(6)
O1 0.055(3) 0.065(3) 0.050(3) -0.015(2) 0.001(2) -0.002(2)
O2 0.051(3) 0.070(3) 0.074(3) -0.009(3) -0.015(3) -0.022(3)
O3 0.059(3) 0.063(3) 0.061(3) -0.013(2) -0.010(2) -0.014(3)
O4 0.042(3) 0.097(4) 0.051(3) -0.018(3) 0.002(2) -0.010(3)
O5 0.064(3) 0.064(3) 0.066(3) 0.001(3) -0.024(3) -0.021(3)
O6 0.079(4) 0.046(3) 0.068(3) -0.011(2) -0.020(3) -0.013(3)
N1 0.027(3) 0.037(3) 0.042(3) -0.002(2) -0.004(2) -0.005(2)
N2 0.035(3) 0.040(3) 0.039(3) -0.002(2) -0.007(2) -0.003(2)
N3 0.099(6) 0.070(5) 0.056(4) 0.007(4) -0.009(4) -0.011(4)
C1 0.059(5) 0.100(7) 0.069(5) -0.014(5) 0.014(4) -0.011(5)
C2 0.035(4) 0.078(6) 0.073(5) -0.006(4) 0.009(4) -0.016(4)
C3 0.057(5) 0.103(7) 0.064(5) 0.016(5) 0.003(4) -0.024(5)
C4 0.054(5) 0.066(5) 0.069(5) 0.013(4) 0.000(4) -0.018(4)
C5 0.027(3) 0.065(5) 0.082(6) 0.005(4) -0.002(3) -0.020(3)
C6 0.043(4) 0.065(5) 0.068(5) 0.005(4) -0.011(3) -0.012(4)
C7 0.040(4) 0.064(5) 0.075(6) 0.005(4) -0.004(4) -0.011(4)
C8 0.040(4) 0.062(5) 0.088(6) 0.003(4) -0.008(4) -0.020(4)
C9 0.063(5) 0.076(6) 0.095(7) -0.024(5) -0.012(5) -0.029(4)
C10 0.073(6) 0.084(6) 0.072(5) -0.012(5) -0.029(5) -0.023(5)
C11 0.073(5) 0.052(4) 0.055(4) -0.015(3) -0.011(4) -0.004(4)
C12 0.070(5) 0.074(5) 0.046(4) -0.016(4) 0.000(4) 0.011(4)
C13 0.040(4) 0.113(7) 0.067(5) -0.015(5) 0.005(4) -0.006(4)
C14 0.029(4) 0.092(6) 0.063(5) -0.002(4) 0.003(3) -0.015(4)
C15 0.031(4) 0.071(5) 0.066(5) 0.007(4) -0.005(3) -0.011(3)
C16 0.037(4) 0.065(5) 0.056(4) 0.012(4) -0.003(3) -0.013(3)
C17 0.030(3) 0.064(5) 0.073(5) 0.012(4) -0.010(3) -0.019(3)
C18 0.045(4) 0.078(6) 0.074(6) 0.023(5) -0.016(4) -0.026(4)
C19 0.042(4) 0.116(8) 0.057(5) 0.022(5) -0.003(4) -0.027(5)
C20 0.046(4) 0.065(5) 0.089(6) 0.013(4) -0.019(4) -0.026(4)
C21 0.077(6) 0.093(7) 0.092(7) -0.020(5) -0.037(5) -0.029(5)
C22 0.110(8) 0.063(5) 0.094(7) -0.015(5) -0.028(6) -0.042(6)
C23 0.099(7) 0.047(4) 0.065(5) -0.012(4) -0.013(5) 0.001(5)
C24 0.083(6) 0.067(5) 0.060(5) -0.020(4) -0.006(4) 0.012(5)
C25 0.038(3) 0.039(3) 0.038(3) -0.001(3) -0.004(3) -0.009(3)
C26 0.034(3) 0.035(3) 0.043(3) -0.002(3) -0.005(3) -0.008(3)
C27 0.037(3) 0.035(3) 0.049(4) -0.007(3) -0.010(3) -0.006(3)
C28 0.032(3) 0.041(3) 0.041(3) -0.004(3) -0.009(3) -0.003(3)
C29 0.023(3) 0.040(3) 0.039(3) -0.001(3) -0.005(2) -0.006(2)
C30 0.023(3) 0.032(3) 0.042(3) -0.002(3) -0.006(2) -0.002(2)
C31 0.032(3) 0.038(3) 0.041(3) -0.005(3) -0.003(3) -0.004(3)
C32 0.037(3) 0.048(4) 0.037(3) 0.002(3) -0.005(3) -0.005(3)
C33 0.027(3) 0.037(3) 0.045(4) 0.001(3) -0.006(3) -0.007(3)
C34 0.035(3) 0.036(3) 0.044(4) -0.003(3) -0.008(3) -0.004(3)
C35 0.050(4) 0.036(3) 0.044(4) 0.000(3) -0.004(3) -0.009(3)
C36 0.039(3) 0.038(3) 0.043(3) -0.001(3) -0.003(3) -0.007(3)
C37 0.050(4) 0.032(3) 0.044(4) 0.002(3) -0.006(3) 0.001(3)
C38 0.059(5) 0.041(4) 0.063(5) -0.002(3) -0.005(4) -0.010(3)
C39 0.063(5) 0.044(4) 0.087(6) -0.007(4) 0.015(4) -0.011(4)
C40 0.083(6) 0.044(4) 0.064(5) -0.002(4) 0.022(5) 0.002(4)
C41 0.091(6) 0.048(4) 0.044(4) -0.006(3) -0.004(4) 0.006(4)
C42 0.060(4) 0.037(3) 0.046(4) -0.005(3) -0.007(3) 0.006(3)
C43 0.087(6) 0.037(4) 0.040(4) -0.001(3) -0.007(4) -0.003(4)
C44 0.072(6) 0.077(6) 0.080(6) 0.030(5) -0.011(5) 0.016(5)
C45 0.112(9) 0.088(7) 0.079(7) 0.022(6) -0.016(6) 0.026(7)
C46 0.190(9) 0.058(5) 0.072(5) 0.011(4) -0.051(6) -0.025(6)
C47 0.203(9) 0.062(5) 0.087(6) 0.016(4) -0.057(6) -0.059(6)
C48 0.184(9) 0.062(4) 0.072(5) 0.021(4) -0.066(5) -0.052(5)
C49 0.048(4) 0.040(4) 0.050(4) -0.002(3) -0.019(3) 0.000(3)
C50 0.073(5) 0.055(4) 0.048(4) -0.008(3) -0.024(4) -0.002(4)
C51 0.099(7) 0.069(6) 0.054(5) -0.019(4) -0.030(5) 0.001(5)
C52 0.080(6) 0.058(5) 0.095(7) -0.029(5) -0.048(5) -0.001(4)
C53 0.065(5) 0.050(4) 0.092(6) -0.011(4) -0.031(5) -0.014(4)
C54 0.058(4) 0.040(4) 0.064(5) -0.003(3) -0.017(4) -0.004(3)
C55 0.039(3) 0.034(3) 0.045(4) -0.004(3) -0.008(3) -0.003(3)
C56 0.068(5) 0.044(4) 0.044(4) -0.008(3) -0.003(3) -0.012(3)
C57 0.108(7) 0.063(5) 0.048(4) -0.017(4) -0.004(4) -0.007(5)
C58 0.086(6) 0.055(5) 0.081(6) -0.026(4) -0.017(5) -0.016(4)
C59 0.057(5) 0.042(4) 0.080(6) -0.014(4) -0.010(4) -0.014(3)
C60 0.047(4) 0.038(3) 0.053(4) -0.003(3) -0.006(3) -0.010(3)
C61 0.052(4) 0.031(3) 0.030(3) 0.000(2) -0.001(3) -0.005(3)
C62 0.071(5) 0.040(4) 0.049(4) 0.001(3) -0.018(4) -0.005(3)
C63 0.103(7) 0.048(4) 0.051(4) 0.002(4) -0.021(4) 0.013(5)
C64 0.126(8) 0.038(4) 0.053(5) 0.007(3) -0.004(5) -0.018(5)
C65 0.105(7) 0.048(4) 0.065(5) 0.007(4) 0.010(5) -0.028(5)
C66 0.063(5) 0.041(4) 0.061(4) 0.004(3) 0.007(4) -0.012(3)
C67 0.038(3) 0.029(3) 0.040(3) 0.000(2) -0.002(3) -0.005(3)
C68 0.050(4) 0.039(3) 0.042(4) 0.000(3) -0.008(3) -0.006(3)
C69 0.076(5) 0.041(4) 0.042(4) -0.004(3) 0.001(4) 0.001(4)
C70 0.064(5) 0.042(4) 0.064(5) 0.004(3) 0.022(4) -0.006(4)
C71 0.042(4) 0.043(4) 0.078(5) -0.004(4) 0.010(4) -0.006(3)
C72 0.038(4) 0.040(4) 0.058(4) -0.003(3) -0.004(3) -0.008(3)
C73 0.083(6) 0.057(5) 0.049(5) 0.007(4) -0.018(4) -0.015(4)
C74 0.115(8) 0.107(8) 0.056(5) 0.015(5) -0.007(5) -0.025(6)
P3 0.079(2) 0.0678(18) 0.0409(14) -0.0117(13) -0.0031(13) -0.0340(16)
F1 0.109(4) 0.129(4) 0.074(3) -0.022(3) 0.005(3) -0.075(4)
F2 0.119(5) 0.191(6) 0.083(4) 0.032(4) -0.035(3) -0.061(4)
F3 0.125(5) 0.119(5) 0.144(5) -0.065(4) 0.029(4) -0.046(4)
P4 0.0472(12) 0.0945(17) 0.0614(13) 0.0149(11) -0.0113(10) -0.0122(11)
F4 0.150(6) 0.249(7) 0.183(6) -0.037(6) 0.020(5) -0.129(5)
F5 0.163(6) 0.203(6) 0.151(5) -0.071(5) 0.066(5) -0.109(5)
F6 0.108(5) 0.304(8) 0.079(4) -0.013(5) 0.013(3) -0.060(5)
F7 0.146(6) 0.203(7) 0.143(6) 0.039(5) 0.012(5) 0.046(5)
F8 0.147(6) 0.227(7) 0.094(4) 0.005(5) -0.022(4) -0.046(5)
F9 0.171(7) 0.252(8) 0.210(7) 0.022(7) 0.011(6) 0.060(7)
P5 0.151(4) 0.146(4) 0.226(5) -0.023(4) -0.060(4) -0.054(3)
F10 0.201(7) 0.212(7) 0.228(8) -0.004(7) -0.073(7) -0.023(7)
F11 0.116(4) 0.098(4) 0.169(5) -0.033(4) -0.085(4) -0.024(3)
F12 0.147(5) 0.087(4) 0.187(6) -0.056(4) -0.061(4) -0.035(4)
F13 0.095(4) 0.162(6) 0.195(6) -0.003(5) -0.029(4) -0.047(4)
F14 0.182(7) 0.157(6) 0.285(8) -0.004(7) -0.075(7) -0.040(6)
F15 0.230(7) 0.147(6) 0.227(8) 0.015(6) -0.023(7) -0.110(6)
P6 0.245(11) 0.225(10) 0.179(8) -0.006(7) 0.054(8) -0.053(7)
F16 0.247(12) 0.227(11) 0.189(9) -0.017(9) 0.041(9) -0.063(9)
F17 0.206(12) 0.203(11) 0.126(8) -0.030(8) 0.017(9) -0.110(9)
F18 0.232(12) 0.222(12) 0.158(10) 0.002(9) 0.039(10) -0.050(10)
F19 0.247(12) 0.230(11) 0.188(9) 0.000(8) 0.055(9) -0.054(9)
F20 0.239(12) 0.225(12) 0.175(10) -0.018(9) 0.051(10) -0.077(10)
F21 0.251(13) 0.187(11) 0.168(10) -0.036(9) 0.035(10) -0.053(10)
O7 0.165(17) 0.177(18) 0.27(2) 0.133(18) -0.152(15) -0.086(13)
C75 0.26(2) 0.14(2) 0.18(2) 0.117(19) -0.102(19) -0.091(18)
O8 0.26(3) 0.055(9) 0.21(2) 0.022(11) -0.104(19) -0.034(12)

_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
Na1 O6 2.366(5) . ?
Na1 N2 2.381(5) . ?
Na1 N1 2.420(5) . ?
Na1 N3 2.428(8) . ?
Na1 O1 2.473(5) . ?
Na1 O5 2.631(6) . ?
P1 C49 1.790(7) . ?
P1 C43 1.796(7) . ?
P1 C37 1.797(7) . ?
P1 C35 1.818(7) . ?
P2 C67 1.794(6) . ?
P2 C55 1.794(6) . ?
P2 C36 1.797(6) . ?
P2 C61 1.797(6) . ?
O1 C24 1.421(9) . ?
O1 C1 1.431(10) . ?
O2 C8 1.412(9) . ?
O2 C9 1.421(9) . ?
O3 C11 1.408(9) . ?
O3 C10 1.443(9) . ?
O4 C13 1.404(9) . ?
O4 C12 1.425(9) . ?
O5 C21 1.424(10) . ?
O5 C20 1.425(9) . ?
O6 C22 1.408(10) . ?
O6 C23 1.433(10) . ?
N1 C29 1.346(7) . ?
N1 C25 1.350(7) . ?
N2 C34 1.336(7) . ?
N2 C30 1.342(7) . ?
N3 C73 1.122(9) . ?
C1 C2 1.493(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.386(12) . ?
C2 C7 1.396(11) . ?
C3 C4 1.363(12) . ?
C3 H3A 0.9500 . ?
C4 C5 1.389(11) . ?
C4 H4A 0.9500 . ?
C5 C6 1.389(10) . ?
C5 C8 1.492(11) . ?
C6 C7 1.379(11) . ?
C6 H6A 0.9500 . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.489(12) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.478(11) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.512(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.372(10) . ?
C14 C19 1.399(12) . ?
C15 C16 1.387(10) . ?
C15 H15A 0.9500 . ?
C16 C17 1.381(10) . ?
C16 H16A 0.9500 . ?
C17 C18 1.388(11) . ?
C17 C20 1.494(11) . ?
C18 C19 1.377(12) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.509(13) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.467(12) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.380(8) . ?
C25 H25A 0.9500 . ?
C26 C27 1.387(9) . ?
C26 C35 1.516(8) . ?
C27 C28 1.375(8) . ?
C27 H27A 0.9500 . ?
C28 C29 1.377(8) . ?
C28 H28A 0.9500 . ?
C29 C30 1.488(8) . ?
C30 C31 1.383(8) . ?
C31 C32 1.389(8) . ?
C31 H31A 0.9500 . ?
C32 C33 1.381(8) . ?
C32 H32A 0.9500 . ?
C33 C34 1.393(8) . ?
C33 C36 1.516(8) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C42 1.386(9) . ?
C37 C38 1.393(10) . ?
C38 C39 1.379(11) . ?
C38 H38A 0.9500 . ?
C39 C40 1.360(12) . ?
C39 H39A 0.9500 . ?
C40 C41 1.389(12) . ?
C40 H40A 0.9500 . ?
C41 C42 1.388(10) . ?
C41 H41 0.9500 . ?
C42 H42A 0.9500 . ?
C43 C48 1.358(12) . ?
C43 C44 1.394(12) . ?
C44 C45 1.363(12) . ?
C44 H44A 0.9500 . ?
C45 C46 1.318(15) . ?
C45 H45A 0.9500 . ?
C46 C47 1.395(16) . ?
C46 H46A 0.9500 . ?
C47 C48 1.424(13) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C54 1.387(10) . ?
C49 C50 1.392(10) . ?
C50 C51 1.378(11) . ?
C50 H50A 0.9500 . ?
C51 C52 1.364(13) . ?
C51 H51A 0.9500 . ?
C52 C53 1.372(12) . ?
C52 H52A 0.9500 . ?
C53 C54 1.381(10) . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9500 . ?
C55 C60 1.383(9) . ?
C55 C56 1.389(9) . ?
C56 C57 1.365(10) . ?
C56 H56A 0.9500 . ?
C57 C58 1.380(12) . ?
C57 H57A 0.9500 . ?
C58 C59 1.347(11) . ?
C58 H58A 0.9500 . ?
C59 C60 1.378(9) . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9500 . ?
C61 C66 1.382(9) . ?
C61 C62 1.383(9) . ?
C62 C63 1.406(10) . ?
C62 H62A 0.9500 . ?
C63 C64 1.369(13) . ?
C63 H63A 0.9500 . ?
C64 C65 1.330(13) . ?
C64 H64A 0.9500 . ?
C65 C66 1.376(10) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
C67 C68 1.386(9) . ?
C67 C72 1.406(9) . ?
C68 C69 1.391(9) . ?
C68 H68A 0.9500 . ?
C69 C70 1.353(11) . ?
C69 H69A 0.9500 . ?
C70 C71 1.385(11) . ?
C70 H70A 0.9500 . ?
C71 C72 1.380(9) . ?
C71 H71A 0.9500 . ?
C72 H72A 0.9500 . ?
C73 C74 1.444(12) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
P3 F2 1.549(6) . ?
P3 F2 1.549(6) 2 ?
P3 F3 1.556(6) . ?
P3 F3 1.556(6) 2 ?
P3 F1 1.574(5) . ?
P3 F1 1.574(5) 2 ?
P4 F9 1.447(9) . ?
P4 F4 1.487(7) . ?
P4 F7 1.494(7) . ?
P4 F6 1.511(7) . ?
P4 F5 1.518(7) . ?
P4 F8 1.546(7) . ?
P5 F15 1.441(10) . ?
P5 F13 1.470(8) . ?
P5 F12 1.475(7) . ?
P5 F11 1.492(7) . ?
P5 F14 1.544(10) . ?
P5 F10 1.555(10) . ?
P6 F17 1.421(14) . ?
P6 F21 1.448(15) . ?
P6 F19 1.469(15) . ?
P6 F18 1.520(14) . ?
P6 F20 1.528(14) . ?
P6 F16 1.576(15) . ?
P6 F16 2.17(3) 2_865 ?
F16 F19 1.40(3) 2_865 ?
F16 P6 2.17(3) 2_865 ?
F19 F16 1.40(3) 2_865 ?
O7 C75 1.224(14) . ?
O7 H7 0.8400 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
O8 H8 0.6279 . ?
O8 H9 0.8362 . ?

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
O6 Na1 N2 109.3(2) . . ?
O6 Na1 N1 168.9(2) . . ?
N2 Na1 N1 68.22(18) . . ?
O6 Na1 N3 90.4(2) . . ?
N2 Na1 N3 156.3(2) . . ?
N1 Na1 N3 94.8(2) . . ?
O6 Na1 O1 68.90(19) . . ?
N2 Na1 O1 84.74(18) . . ?
N1 Na1 O1 120.75(19) . . ?
N3 Na1 O1 90.6(2) . . ?
O6 Na1 O5 69.20(19) . . ?
N2 Na1 O5 86.14(18) . . ?
N1 Na1 O5 99.68(18) . . ?
N3 Na1 O5 113.9(2) . . ?
O1 Na1 O5 131.03(19) . . ?
C49 P1 C43 108.0(3) . . ?
C49 P1 C37 111.4(3) . . ?
C43 P1 C37 108.5(3) . . ?
C49 P1 C35 106.8(3) . . ?
C43 P1 C35 110.9(3) . . ?
C37 P1 C35 111.1(3) . . ?
C67 P2 C55 110.9(3) . . ?
C67 P2 C36 111.1(3) . . ?
C55 P2 C36 108.8(3) . . ?
C67 P2 C61 108.1(3) . . ?
C55 P2 C61 109.4(3) . . ?
C36 P2 C61 108.5(3) . . ?
C24 O1 C1 112.3(6) . . ?
C24 O1 Na1 108.9(5) . . ?
C1 O1 Na1 122.7(5) . . ?
C8 O2 C9 111.5(6) . . ?
C11 O3 C10 115.8(6) . . ?
C13 O4 C12 113.9(6) . . ?
C21 O5 C20 113.5(6) . . ?
C21 O5 Na1 101.2(5) . . ?
C20 O5 Na1 123.9(4) . . ?
C22 O6 C23 112.6(6) . . ?
C22 O6 Na1 118.4(5) . . ?
C23 O6 Na1 115.9(5) . . ?
C29 N1 C25 118.0(5) . . ?
C29 N1 Na1 118.4(4) . . ?
C25 N1 Na1 123.6(4) . . ?
C34 N2 C30 118.7(5) . . ?
C34 N2 Na1 121.1(4) . . ?
C30 N2 Na1 120.0(4) . . ?
C73 N3 Na1 170.3(7) . . ?
O1 C1 C2 109.4(6) . . ?
O1 C1 H1A 109.8 . . ?
C2 C1 H1A 109.8 . . ?
O1 C1 H1B 109.8 . . ?
C2 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
C3 C2 C7 117.2(8) . . ?
C3 C2 C1 121.4(8) . . ?
C7 C2 C1 121.4(8) . . ?
C4 C3 C2 122.2(8) . . ?
C4 C3 H3A 118.9 . . ?
C2 C3 H3A 118.9 . . ?
C3 C4 C5 120.7(8) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C4 118.0(8) . . ?
C6 C5 C8 121.5(7) . . ?
C4 C5 C8 120.5(7) . . ?
C7 C6 C5 121.1(8) . . ?
C7 C6 H6A 119.4 . . ?
C5 C6 H6A 119.4 . . ?
C6 C7 C2 120.8(8) . . ?
C6 C7 H7A 119.6 . . ?
C2 C7 H7A 119.6 . . ?
O2 C8 C5 110.3(6) . . ?
O2 C8 H8A 109.6 . . ?
C5 C8 H8A 109.6 . . ?
O2 C8 H8B 109.6 . . ?
C5 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
O2 C9 C10 108.3(7) . . ?
O2 C9 H9A 110.0 . . ?
C10 C9 H9A 110.0 . . ?
O2 C9 H9B 110.0 . . ?
C10 C9 H9B 110.0 . . ?
H9A C9 H9B 108.4 . . ?
O3 C10 C9 113.1(7) . . ?
O3 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
O3 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
O3 C11 C12 109.3(6) . . ?
O3 C11 H11A 109.8 . . ?
C12 C11 H11A 109.8 . . ?
O3 C11 H11B 109.8 . . ?
C12 C11 H11B 109.8 . . ?
H11A C11 H11B 108.3 . . ?
O4 C12 C11 108.4(6) . . ?
O4 C12 H12A 110.0 . . ?
C11 C12 H12A 110.0 . . ?
O4 C12 H12B 110.0 . . ?
C11 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
O4 C13 C14 107.2(6) . . ?
O4 C13 H13A 110.3 . . ?
C14 C13 H13A 110.3 . . ?
O4 C13 H13B 110.3 . . ?
C14 C13 H13B 110.3 . . ?
H13A C13 H13B 108.5 . . ?
C15 C14 C19 117.5(8) . . ?
C15 C14 C13 120.4(8) . . ?
C19 C14 C13 121.9(8) . . ?
C14 C15 C16 121.2(8) . . ?
C14 C15 H15A 119.4 . . ?
C16 C15 H15A 119.4 . . ?
C17 C16 C15 121.0(7) . . ?
C17 C16 H16A 119.5 . . ?
C15 C16 H16A 119.5 . . ?
C16 C17 C18 118.5(8) . . ?
C16 C17 C20 122.2(7) . . ?
C18 C17 C20 119.2(7) . . ?
C19 C18 C17 120.1(8) . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C18 C19 C14 121.7(8) . . ?
C18 C19 H19A 119.1 . . ?
C14 C19 H19A 119.1 . . ?
O5 C20 C17 111.1(6) . . ?
O5 C20 H20A 109.4 . . ?
C17 C20 H20A 109.4 . . ?
O5 C20 H20B 109.4 . . ?
C17 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
O5 C21 C22 112.4(7) . . ?
O5 C21 H21A 109.1 . . ?
C22 C21 H21A 109.1 . . ?
O5 C21 H21B 109.1 . . ?
C22 C21 H21B 109.1 . . ?
H21A C21 H21B 107.9 . . ?
O6 C22 C21 107.6(7) . . ?
O6 C22 H22A 110.2 . . ?
C21 C22 H22A 110.2 . . ?
O6 C22 H22B 110.2 . . ?
C21 C22 H22B 110.2 . . ?
H22A C22 H22B 108.5 . . ?
O6 C23 C24 107.8(7) . . ?
O6 C23 H23A 110.1 . . ?
C24 C23 H23A 110.1 . . ?
O6 C23 H23B 110.1 . . ?
C24 C23 H23B 110.1 . . ?
H23A C23 H23B 108.5 . . ?
O1 C24 C23 109.3(7) . . ?
O1 C24 H24A 109.8 . . ?
C23 C24 H24A 109.8 . . ?
O1 C24 H24B 109.8 . . ?
C23 C24 H24B 109.8 . . ?
H24A C24 H24B 108.3 . . ?
N1 C25 C26 124.2(6) . . ?
N1 C25 H25A 117.9 . . ?
C26 C25 H25A 117.9 . . ?
C25 C26 C27 116.6(6) . . ?
C25 C26 C35 121.0(5) . . ?
C27 C26 C35 122.4(5) . . ?
C28 C27 C26 120.0(6) . . ?
C28 C27 H27A 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C27 C28 C29 120.0(6) . . ?
C27 C28 H28A 120.0 . . ?
C29 C28 H28A 120.0 . . ?
N1 C29 C28 121.2(5) . . ?
N1 C29 C30 116.7(5) . . ?
C28 C29 C30 122.2(5) . . ?
N2 C30 C31 121.6(5) . . ?
N2 C30 C29 116.4(5) . . ?
C31 C30 C29 121.9(5) . . ?
C30 C31 C32 119.0(6) . . ?
C30 C31 H31A 120.5 . . ?
C32 C31 H31A 120.5 . . ?
C33 C32 C31 120.2(6) . . ?
C33 C32 H32A 119.9 . . ?
C31 C32 H32A 119.9 . . ?
C32 C33 C34 116.8(5) . . ?
C32 C33 C36 123.0(5) . . ?
C34 C33 C36 120.1(5) . . ?
N2 C34 C33 123.7(6) . . ?
N2 C34 H34A 118.1 . . ?
C33 C34 H34A 118.1 . . ?
C26 C35 P1 112.3(4) . . ?
C26 C35 H35A 109.2 . . ?
P1 C35 H35A 109.2 . . ?
C26 C35 H35B 109.2 . . ?
P1 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?
C33 C36 P2 113.4(4) . . ?
C33 C36 H36A 108.9 . . ?
P2 C36 H36A 108.9 . . ?
C33 C36 H36B 108.9 . . ?
P2 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
C42 C37 C38 119.7(6) . . ?
C42 C37 P1 120.5(5) . . ?
C38 C37 P1 119.6(5) . . ?
C39 C38 C37 119.8(7) . . ?
C39 C38 H38A 120.1 . . ?
C37 C38 H38A 120.1 . . ?
C40 C39 C38 120.4(8) . . ?
C40 C39 H39A 119.8 . . ?
C38 C39 H39A 119.8 . . ?
C39 C40 C41 120.7(7) . . ?
C39 C40 H40A 119.6 . . ?
C41 C40 H40A 119.6 . . ?
C42 C41 C40 119.5(8) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C37 C42 C41 119.8(7) . . ?
C37 C42 H42A 120.1 . . ?
C41 C42 H42A 120.1 . . ?
C48 C43 C44 119.8(8) . . ?
C48 C43 P1 122.4(7) . . ?
C44 C43 P1 117.7(6) . . ?
C45 C44 C43 121.2(10) . . ?
C45 C44 H44A 119.4 . . ?
C43 C44 H44A 119.4 . . ?
C46 C45 C44 119.6(11) . . ?
C46 C45 H45A 120.2 . . ?
C44 C45 H45A 120.2 . . ?
C45 C46 C47 122.2(10) . . ?
C45 C46 H46A 118.9 . . ?
C47 C46 H46A 118.9 . . ?
C46 C47 C48 118.3(10) . . ?
C46 C47 H47A 120.8 . . ?
C48 C47 H47A 120.8 . . ?
C43 C48 C47 118.7(10) . . ?
C43 C48 H48A 120.7 . . ?
C47 C48 H48A 120.7 . . ?
C54 C49 C50 119.9(6) . . ?
C54 C49 P1 122.3(5) . . ?
C50 C49 P1 117.3(6) . . ?
C51 C50 C49 119.5(8) . . ?
C51 C50 H50A 120.3 . . ?
C49 C50 H50A 120.3 . . ?
C52 C51 C50 120.2(8) . . ?
C52 C51 H51A 119.9 . . ?
C50 C51 H51A 119.9 . . ?
C51 C52 C53 121.0(8) . . ?
C51 C52 H52A 119.5 . . ?
C53 C52 H52A 119.5 . . ?
C52 C53 C54 119.8(8) . . ?
C52 C53 H53A 120.1 . . ?
C54 C53 H53A 120.1 . . ?
C53 C54 C49 119.6(7) . . ?
C53 C54 H54A 120.2 . . ?
C49 C54 H54A 120.2 . . ?
C60 C55 C56 120.2(6) . . ?
C60 C55 P2 121.8(5) . . ?
C56 C55 P2 117.8(5) . . ?
C57 C56 C55 119.1(7) . . ?
C57 C56 H56A 120.5 . . ?
C55 C56 H56A 120.5 . . ?
C56 C57 C58 120.4(8) . . ?
C56 C57 H57A 119.8 . . ?
C58 C57 H57A 119.8 . . ?
C59 C58 C57 120.6(7) . . ?
C59 C58 H58A 119.7 . . ?
C57 C58 H58A 119.7 . . ?
C58 C59 C60 120.4(7) . . ?
C58 C59 H59A 119.8 . . ?
C60 C59 H59A 119.8 . . ?
C59 C60 C55 119.3(7) . . ?
C59 C60 H60A 120.3 . . ?
C55 C60 H60A 120.3 . . ?
C66 C61 C62 120.0(6) . . ?
C66 C61 P2 121.2(5) . . ?
C62 C61 P2 118.9(5) . . ?
C61 C62 C63 118.8(7) . . ?
C61 C62 H62A 120.6 . . ?
C63 C62 H62A 120.6 . . ?
C64 C63 C62 119.5(8) . . ?
C64 C63 H63A 120.2 . . ?
C62 C63 H63A 120.2 . . ?
C65 C64 C63 121.0(7) . . ?
C65 C64 H64A 119.5 . . ?
C63 C64 H64A 119.5 . . ?
C64 C65 C66 121.3(9) . . ?
C64 C65 H65A 119.3 . . ?
C66 C65 H65A 119.3 . . ?
C65 C66 C61 119.4(8) . . ?
C65 C66 H66A 120.3 . . ?
C61 C66 H66A 120.3 . . ?
C68 C67 C72 119.9(6) . . ?
C68 C67 P2 120.3(5) . . ?
C72 C67 P2 119.3(5) . . ?
C67 C68 C69 119.0(7) . . ?
C67 C68 H68A 120.5 . . ?
C69 C68 H68A 120.5 . . ?
C70 C69 C68 121.0(7) . . ?
C70 C69 H69A 119.5 . . ?
C68 C69 H69A 119.5 . . ?
C69 C70 C71 120.8(7) . . ?
C69 C70 H70A 119.6 . . ?
C71 C70 H70A 119.6 . . ?
C72 C71 C70 119.7(7) . . ?
C72 C71 H71A 120.2 . . ?
C70 C71 H71A 120.2 . . ?
C71 C72 C67 119.6(7) . . ?
C71 C72 H72A 120.2 . . ?
C67 C72 H72A 120.2 . . ?
N3 C73 C74 179.6(10) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
F2 P3 F2 180.0(6) . 2 ?
F2 P3 F3 85.9(4) . . ?
F2 P3 F3 94.1(4) 2 . ?
F2 P3 F3 94.1(4) . 2 ?
F2 P3 F3 85.9(4) 2 2 ?
F3 P3 F3 179.999(1) . 2 ?
F2 P3 F1 88.1(3) . . ?
F2 P3 F1 91.9(3) 2 . ?
F3 P3 F1 92.2(3) . . ?
F3 P3 F1 87.8(3) 2 . ?
F2 P3 F1 91.9(3) . 2 ?
F2 P3 F1 88.1(3) 2 2 ?
F3 P3 F1 87.8(3) . 2 ?
F3 P3 F1 92.2(3) 2 2 ?
F1 P3 F1 179.997(1) . 2 ?
F9 P4 F4 82.4(7) . . ?
F9 P4 F7 177.5(6) . . ?
F4 P4 F7 99.0(6) . . ?
F9 P4 F6 89.5(6) . . ?
F4 P4 F6 90.2(5) . . ?
F7 P4 F6 92.5(5) . . ?
F9 P4 F5 95.1(7) . . ?
F4 P4 F5 177.4(6) . . ?
F7 P4 F5 83.5(6) . . ?
F6 P4 F5 90.3(5) . . ?
F9 P4 F8 91.9(6) . . ?
F4 P4 F8 93.7(5) . . ?
F7 P4 F8 86.0(5) . . ?
F6 P4 F8 176.0(5) . . ?
F5 P4 F8 85.8(4) . . ?
F15 P5 F13 160.5(7) . . ?
F15 P5 F12 100.2(7) . . ?
F13 P5 F12 94.0(5) . . ?
F15 P5 F11 92.8(6) . . ?
F13 P5 F11 99.3(6) . . ?
F12 P5 F11 94.8(5) . . ?
F15 P5 F14 80.2(6) . . ?
F13 P5 F14 84.0(6) . . ?
F12 P5 F14 172.2(6) . . ?
F11 P5 F14 93.0(5) . . ?
F15 P5 F10 81.0(7) . . ?
F13 P5 F10 86.6(6) . . ?
F12 P5 F10 86.3(6) . . ?
F11 P5 F10 173.9(7) . . ?
F14 P5 F10 86.0(6) . . ?
F17 P6 F21 87.8(13) . . ?
F17 P6 F19 88.9(14) . . ?
F21 P6 F19 174.7(15) . . ?
F17 P6 F18 96.7(13) . . ?
F21 P6 F18 88.7(12) . . ?
F19 P6 F18 95.8(13) . . ?
F17 P6 F20 93.1(12) . . ?
F21 P6 F20 89.4(12) . . ?
F19 P6 F20 86.7(11) . . ?
F18 P6 F20 169.9(15) . . ?
F17 P6 F16 175.9(13) . . ?
F21 P6 F16 89.1(13) . . ?
F19 P6 F16 94.5(13) . . ?
F18 P6 F16 80.7(11) . . ?
F20 P6 F16 89.4(13) . . ?
F17 P6 F16 128.5(13) . 2_865 ?
F21 P6 F16 143.5(15) . 2_865 ?
F19 P6 F16 39.6(11) . 2_865 ?
F18 P6 F16 90.7(12) . 2_865 ?
F20 P6 F16 84.9(12) . 2_865 ?
F16 P6 F16 54.9(13) . 2_865 ?
F19 F16 P6 166.9(18) 2_865 . ?
F19 F16 P6 42.0(10) 2_865 2_865 ?
P6 F16 P6 125.1(13) . 2_865 ?
F16 F19 P6 98.3(19) 2_865 . ?
C75 O7 H7 109.4 . . ?
O7 C75 H75A 109.5 . . ?
O7 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
O7 C75 H75C 109.4 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
H8 O8 H9 107.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.522
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.135