data_2009091
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1914
_journal_page_last  1915
_publ_section_title
;
N,N'-(Pyridine-2,6-diyl)bis(naphthalenedicarboximide) trifluoroacetic acid
monohydrate
;
loop_
_publ_author_name
  'Kovalevsky, A. Yu.'
  'Shishkin, O. V.'
  'Ponomarev, I. I.'
_chemical_formula_moiety  'C29 H15 N3 O4 , C2 HF3 O2 , H2 O'
_chemical_formula_sum  'C62 H36 F6 N6 O14'
_chemical_formula_weight  601.49
_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  12.984(7)
_cell_length_b  13.034(5)
_cell_length_c  16.749(8)
_cell_angle_alpha  82.04(3)
_cell_angle_beta  72.31(4)
_cell_angle_gamma  87.45(4)
_cell_volume  2674(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  213(2)
_exptl_crystal_density_diffrn  1.494
_diffrn_ambient_temperature  213(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  O(1A)  .3541(2)  .2043(2)  -.4225(2)  .0521(8) Uani d . 1 . O
  O(2A)  .6707(2)  .2364(2)  -.3665(2)  .0543(8) Uani d . 1 . O
  N(1A)  .5139(3)  .2231(2)  -.3971(2)  .0385(8) Uani d . 1 . N
  N(2AB)  .4370(2)  .2038(2)  -.2503(2)  .0363(8) Uani d . 1 . N
  C(1A)  .5093(4)  .1421(3)  -.5192(2)  .0428(11) Uani d . 1 . C
  C(2A)  .4518(4)  .1074(3)  -.5674(2)  .0498(12) Uani d . 1 . C
  H(2A)  .3765(4)  .1170(3)  -.5531(2)  .060 Uiso calc R 1 . H
  C(3A)  .5059(5)  .0582(4)  -.6370(3)  .0607(14) Uani d . 1 . C
  H(3A)  .4660(5)  .0338(4)  -.6688(3)  .073 Uiso calc R 1 . H
  C(4A)  .6138(5)  .0447(3)  -.6600(3)  .0621(14) Uani d . 1 . C
  H(4A)  .6482(5)  .0121(3)  -.7079(3)  .074 Uiso calc R 1 . H
  C(4'A)  .6763(4)  .0798(3)  -.6119(3)  .0541(13) Uani d . 1 . C
  C(5A)  .7880(5)  .0656(4)  -.6306(3)  .071(2) Uani d . 1 . C
  H(5A)  .8251(5)  .0334(4)  -.6782(3)  .085 Uiso calc R 1 . H
  C(6A)  .8445(4)  .0969(4)  -.5823(3)  .076(2) Uani d . 1 . C
  H(6A)  .9197(4)  .0864(4)  -.5969(3)  .091 Uiso calc R 1 . H
  C(7A)  .7917(4)  .1446(4)  -.5111(3)  .0630(14) Uani d . 1 . C
  H(7A)  .8312(4)  .1660(4)  -.4777(3)  .076 Uiso calc R 1 . H
  C(8A)  .6814(4)  .1603(3)  -.4898(3)  .0453(11) Uani d . 1 . C
  C(8'A)  .6223(4)  .1283(3)  -.5398(2)  .0425(11) Uani d . 1 . C
  C(9A)  .4520(4)  .1906(3)  -.4446(2)  .0417(10) Uani d . 1 . C
  C(10A)  .6257(4)  .2093(3)  -.4142(3)  .0444(11) Uani d . 1 . C
  O(1B)  .2518(2)  .0734(2)  -.1421(2)  .0478(8) Uani d . 1 . O
  O(2B)  .4711(2)  .2751(2)  -.0637(2)  .0462(7) Uani d . 1 . O
  N(1B)  .3636(2)  .1728(2)  -.1037(2)  .0328(8) Uani d . 1 . N
  C(1B)  .2990(3)  .0069(3)  -.0188(2)  .0367(10) Uani d . 1 . C
  C(2B)  .2477(3)  -.0866(3)  -.0082(3)  .0492(12) Uani d . 1 . C
  H(2B)  .2122(3)  -.0997(3)  -.0469(3)  .059 Uiso calc R 1 . H
  C(3B)  .2481(4)  -.1620(3)  .0597(3)  .0569(13) Uani d . 1 . C
  H(3B)  .2137(4)  -.2259(3)  .0659(3)  .068 Uiso calc R 1 . H
  C(4B)  .2981(4)  -.1435(3)  .1169(3)  .0537(12) Uani d . 1 . C
  H(4B)  .2959(4)  -.1942(3)  .1631(3)  .064 Uiso calc R 1 . H
  C(4'B)  .3533(3)  -.0491(3)  .1083(3)  .0435(11) Uani d . 1 . C
  C(5B)  .4112(4)  -.0289(4)  .1636(3)  .0509(12) Uani d . 1 . C
  H(5B)  .4112(4)  -.0783(4)  .2101(3)  .061 Uiso calc R 1 . H
  C(6B)  .4670(3)  .0612(4)  .1506(3)  .0492(12) Uani d . 1 . C
  H(6B)  .5048(3)  .0734(4)  .1881(3)  .059 Uiso calc R 1 . H
  C(7B)  .4680(3)  .1358(3)  .0813(2)  .0425(11) Uani d . 1 . C
  H(7B)  .5071(3)  .1975(3)  .0724(2)  .051 Uiso calc R 1 . H
  C(8B)  .4124(3)  .1194(3)  .0262(2)  .0333(9) Uani d . 1 . C
  C(8'B)  .3544(3)  .0266(3)  .0388(2)  .0361(10) Uani d . 1 . C
  C(9B)  .3010(3)  .0834(3)  -.0915(3)  .0373(10) Uani d . 1 . C
  C(10B)  .4195(3)  .1955(3)  -.0475(2)  .0348(9) Uani d . 1 . C
  C(11A)  .4563(3)  .2686(3)  -.3219(2)  .0367(10) Uani d . 1 . C
  C(12A)  .4229(3)  .3695(3)  -.3280(3)  .0437(11) Uani d . 1 . C
  H(12A)  .4399(3)  .4117(3)  -.3805(3)  .052 Uiso calc R 1 . H
  C(13A)  .3635(3)  .4073(3)  -.2549(3)  .0439(11) Uani d . 1 . C
  H(13A)  .3391(3)  .4763(3)  -.2566(3)  .053 Uiso calc R 1 . H
  C(14A)  .3400(3)  .3420(3)  -.1786(3)  .0408(10) Uani d . 1 . C
  H(14A)  .2986(3)  .3650(3)  -.1277(3)  .049 Uiso calc R 1 . H
  C(15A)  .3798(3)  .2424(3)  -.1806(2)  .0326(9) Uani d . 1 . C
  O(1C)  .3338(3)  .4864(2)  .4071(2)  .0570(8) Uani d . 1 . O
  O(2C)  .1248(2)  .6471(2)  .2551(2)  .0525(8) Uani d . 1 . O
  N(1C)  .2227(3)  .5579(2)  .3336(2)  .0352(8) Uani d . 1 . N
  N(2CD)  .2440(2)  .4256(2)  .2510(2)  .0351(8) Uani d . 1 . N
  C(1C)  .1773(3)  .5707(3)  .4835(2)  .0427(11) Uani d . 1 . C
  C(2C)  .1994(4)  .5473(4)  .5602(3)  .0546(12) Uani d . 1 . C
  H(2C)  .2634(4)  .5121(4)  .5626(3)  .065 Uiso calc R 1 . H
  C(3C)  .1261(4)  .5763(4)  .6338(3)  .0656(14) Uani d . 1 . C
  H(3C)  .1420(4)  .5612(4)  .6854(3)  .079 Uiso calc R 1 . H
  C(4C)  .0324(4)  .6258(4)  .6325(3)  .0589(13) Uani d . 1 . C
  H(4C)  -.0161(4)  .6436(4)  .6830(3)  .071 Uiso calc R 1 . H
  C(4'C)  .0072(4)  .6510(3)  .5555(3)  .0454(11) Uani d . 1 . C
  C(5C)  -.0885(4)  .7012(4)  .5512(3)  .0553(13) Uani d . 1 . C
  H(5C)  -.1388(4)  .7190(4)  .6009(3)  .066 Uiso calc R 1 . H
  C(6C)  -.1102(4)  .7248(4)  .4758(3)  .0581(13) Uani d . 1 . C
  H(6C)  -.1750(4)  .7588(4)  .4739(3)  .070 Uiso calc R 1 . H
  C(7C)  -.0362(4)  .6986(3)  .4013(3)  .0486(11) Uani d . 1 . C
  H(7C)  -.0513(4)  .7153(3)  .3496(3)  .058 Uiso calc R 1 . H
  C(8C)  .0578(3)  .6489(3)  .4034(2)  .0359(10) Uani d . 1 . C
  C(8'C)  .0815(3)  .6227(3)  .4804(2)  .0360(10) Uani d . 1 . C
  C(9C)  .2508(4)  .5357(3)  .4075(3)  .0408(10) Uani d . 1 . C
  C(10C)  .1349(3)  .6210(3)  .3248(3)  .0392(10) Uani d . 1 . C
  O(1D)  .2256(2)  .3567(2)  .0526(2)  .0534(8) Uani d . 1 . O
  O(2D)  .2948(2)  .2042(2)  .2919(2)  .0440(7) Uani d . 1 . O
  N(1D)  .2494(3)  .2854(2)  .1779(2)  .0365(8) Uani d . 1 . N
  C(1D)  .1384(3)  .1959(3)  .1143(2)  .0363(10) Uani d . 1 . C
  C(2D)  .0870(3)  .1947(3)  .0535(3)  .0484(11) Uani d . 1 . C
  H(2D)  .0949(3)  .2508(3)  .0103(3)  .058 Uiso calc R 1 . H
  C(3D)  .0231(4)  .1098(4)  .0562(3)  .0525(12) Uani d . 1 . C
  H(3D)  -.0115(4)  .1093(4)  .0144(3)  .063 Uiso calc R 1 . H
  C(4D)  .0102(3)  .0280(4)  .1184(3)  .0518(12) Uani d . 1 . C
  H(4D)  -.0334(3)  -.0280(4)  .1192(3)  .062 Uiso calc R 1 . H
  C(4'D)  .0617(3)  .0266(3)  .1817(3)  .0444(11) Uani d . 1 . C
  C(5D)  .0548(4)  -.0571(4)  .2455(3)  .0568(13) Uani d . 1 . C
  H(5D)  .0138(4)  -.1153(4)  .2469(3)  .068 Uiso calc R 1 . H
  C(6D)  .1063(4)  -.0564(3)  .3061(3)  .0549(12) Uani d . 1 . C
  H(6D)  .0999(4)  -.1131(3)  .3486(3)  .066 Uiso calc R 1 . H
  C(7D)  .1683(3)  .0298(3)  .3040(3)  .0474(11) Uani d . 1 . C
  H(7D)  .2031(3)  .0307(3)  .3455(3)  .057 Uiso calc R 1 . H
  C(8D)  .1788(3)  .1126(3)  .2422(2)  .0371(10) Uani d . 1 . C
  C(8'D)  .1267(3)  .1137(3)  .1794(2)  .0375(10) Uani d . 1 . C
  C(9D)  .2062(3)  .2852(3)  .1097(3)  .0391(10) Uani d . 1 . C
  C(10D)  .2452(3)  .2026(3)  .2407(3)  .0370(10) Uani d . 1 . C
  C(11C)  .2848(3)  .5128(3)  .2601(2)  .0357(10) Uani d . 1 . C
  C(12C)  .3786(3)  .5584(3)  .2055(2)  .0419(10) Uani d . 1 . C
  H(12C)  .4042(3)  .6208(3)  .2144(2)  .050 Uiso calc R 1 . H
  C(13C)  .4334(3)  .5083(3)  .1370(3)  .0479(11) Uani d . 1 . C
  H(13C)  .4975(3)  .5367(3)  .0982(3)  .057 Uiso calc R 1 . H
  C(14C)  .3937(3)  .4168(3)  .1259(3)  .0446(11) Uani d . 1 . C
  H(14C)  .4297(3)  .3808(3)  .0804(3)  .054 Uiso calc R 1 . H
  C(15C)  .2980(3)  .3800(3)  .1852(2)  .0372(10) Uani d . 1 . C
  O(1SA) 1.0063(3)  .7469(3)  .1152(2)  .0667(9) Uani d . 1 . O
  O(2SA)  .9003(2)  .6363(2)  .2194(2)  .0573(8) Uani d . 1 . O
  H(2SA)  .8687(2)  .6898(2)  .2356(2)  .086 Uiso calc R 1 . H
  C(1SA)  .9826(4)  .6609(4)  .1516(3)  .0479(11) Uani d . 1 . C
  C(2SA) 1.0435(4)  .5683(4)  .1188(3)  .0597(13) Uani d . 1 . C
  F(1SA) 1.0110(4)  .5418(3)  .0587(2)  .1267(14) Uani d . 1 . F
  F(2SA) 1.1497(3)  .5886(2)  .0841(2)  .0873(10) Uani d . 1 . F
  F(3SA) 1.0370(2)  .4860(2)  .1753(2)  .0774(9) Uani d . 1 . F
  O(2SB)  .6378(3)  .3322(3)  .2698(2)  .0829(11) Uani d . 1 . O
  H(2SB)  .5717(3)  .3232(3)  .2915(2)  .124 Uiso calc R 1 . H
  O(1SB)  .6229(4)  .2443(4)  .1697(3)  .1092(15) Uani d . 1 . O
  C(1SB)  .6690(5)  .2923(4)  .2021(3)  .068(2) Uani d . 1 . C
  C(2SB)  .7919(5)  .3094(5)  .1625(4)  .088(2) Uani d . 1 . C
  F(1SB)  .8502(4)  .2661(5)  .2089(3)  .172(2) Uani d . 1 . F
  F(2SB)  .8139(3)  .4091(4)  .1518(3)  .179(3) Uani d . 1 . F
  F(3SB)  .8289(3)  .2824(3)  .0880(2)  .1038(11) Uani d . 1 . F
  O(1W)  .8099(2)  .8045(2)  .2707(2)  .0541(8) Uani d . 1 . O
  H(1WA)  .7702(2)  .8015(2)  .3264(2)  .081 Uiso d R 1 . H
  H(1WB)  .7896(2)  .8612(2)  .2332(2)  .081 Uiso d R 1 . H
  O(2W)  .4368(2)  .3226(2)  .3351(2)  .0630(9) Uani d . 1 . O
  H(2WA)  .4000(2)  .3814(2)  .3562(2)  .094 Uiso d R 1 . H
  H(2WB)  .4014(2)  .2813(2)  .3196(2)  .094 Uiso d R 1 . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  O(1A)  .048(2)  .072(2)  .041(2)  .007(2)  -.019(2)  -.015(2)
  O(2A)  .045(2)  .070(2)  .051(2)  -.012(2)  -.015(2)  -.014(2)
  N(1A)  .040(2)  .044(2)  .032(2)  -.004(2)  -.011(2)  -.006(2)
  N(2AB)  .035(2)  .041(2)  .034(2)  -.002(2)  -.012(2)  -.007(2)
  C(1A)  .060(3)  .038(2)  .028(2)  -.006(2)  -.012(2)  .000(2)
  C(2A)  .070(3)  .050(3)  .030(2)  -.001(2)  -.018(2)  .000(2)
  C(3A)  .091(4)  .059(3)  .037(3)  -.003(3)  -.025(3)  -.006(2)
  C(4A)  .100(5)  .047(3)  .030(3)  -.005(3)  -.005(3)  -.006(2)
  C(4'A)  .071(4)  .041(3)  .039(3)  .000(2)  .000(3)  -.009(2)
  C(5A)  .071(4)  .069(4)  .058(3)  .003(3)  .009(3)  -.022(3)
  C(6A)  .050(3)  .086(4)  .078(4)  .001(3)  .007(3)  -.027(3)
  C(7A)  .055(3)  .064(3)  .063(3)  -.003(3)  -.005(3)  -.013(3)
  C(8A)  .044(3)  .043(3)  .039(2)  -.006(2)  .002(2)  -.003(2)
  C(8'A)  .050(3)  .038(2)  .034(2)  -.005(2)  -.006(2)  .000(2)
  C(9A)  .051(3)  .041(3)  .035(2)  .003(2)  -.015(2)  -.004(2)
  C(10A)  .047(3)  .043(3)  .040(3)  -.010(2)  -.010(2)  .001(2)
  O(1B)  .048(2)  .051(2)  .049(2)  -.0149(15)  -.020(2)  -.0064(14)
  O(2B)  .055(2)  .043(2)  .046(2)  -.017(2)  -.0205(15)  -.0039(14)
  N(1B)  .033(2)  .033(2)  .032(2)  -.0051(15)  -.008(2)  -.0071(15)
  C(1B)  .030(2)  .034(2)  .042(2)  -.002(2)  -.005(2)  -.006(2)
  C(2B)  .036(3)  .045(3)  .063(3)  -.004(2)  -.009(2)  -.010(2)
  C(3B)  .049(3)  .040(3)  .073(3)  -.015(2)  -.008(3)  .003(3)
  C(4B)  .042(3)  .047(3)  .055(3)  .003(2)  .005(2)  .006(2)
  C(4'B)  .035(2)  .048(3)  .038(2)  .008(2)  .001(2)  -.001(2)
  C(5B)  .047(3)  .068(3)  .031(2)  .014(3)  -.006(2)  -.002(2)
  C(6B)  .044(3)  .069(3)  .035(3)  .010(3)  -.011(2)  -.013(2)
  C(7B)  .036(3)  .054(3)  .037(2)  .002(2)  -.008(2)  -.014(2)
  C(8B)  .031(2)  .041(2)  .026(2)  .003(2)  -.004(2)  -.009(2)
  C(8'B)  .029(2)  .041(2)  .032(2)  .003(2)  .000(2)  -.005(2)
  C(9B)  .031(2)  .039(2)  .039(2)  -.004(2)  -.004(2)  -.011(2)
  C(10B)  .033(2)  .034(2)  .037(2)  -.001(2)  -.008(2)  -.009(2)
  C(11A)  .037(2)  .046(3)  .028(2)  -.003(2)  -.011(2)  -.005(2)
  C(12A)  .054(3)  .039(3)  .037(2)  -.003(2)  -.014(2)  .000(2)
  C(13A)  .051(3)  .031(2)  .051(3)  -.001(2)  -.017(2)  -.005(2)
  C(14A)  .046(3)  .043(3)  .036(2)  -.003(2)  -.013(2)  -.013(2)
  C(15A)  .029(2)  .038(2)  .031(2)  -.005(2)  -.010(2)  -.004(2)
  O(1C)  .052(2)  .072(2)  .052(2)  .013(2)  -.022(2)  -.014(2)
  O(2C)  .055(2)  .068(2)  .037(2)  .009(2)  -.018(2)  -.005(2)
  N(1C)  .036(2)  .036(2)  .035(2)  -.002(2)  -.010(2)  -.009(2)
  N(2CD)  .035(2)  .035(2)  .033(2)  -.005(2)  -.004(2)  -.009(2)
  C(1C)  .046(3)  .048(3)  .033(2)  -.013(2)  -.010(2)  -.005(2)
  C(2C)  .062(3)  .063(3)  .043(3)  .002(2)  -.021(3)  -.009(2)
  C(3C)  .078(4)  .085(4)  .031(3)  -.004(3)  -.016(3)  -.001(3)
  C(4C)  .063(3)  .067(3)  .041(3)  -.008(3)  -.003(3)  -.014(2)
  C(4'C)  .045(3)  .050(3)  .037(3)  -.009(2)  -.005(2)  -.007(2)
  C(5C)  .052(3)  .062(3)  .044(3)  -.005(3)  .003(2)  -.017(2)
  C(6C)  .045(3)  .070(3)  .055(3)  .004(3)  -.007(3)  -.015(3)
  C(7C)  .047(3)  .055(3)  .045(3)  -.001(2)  -.016(2)  -.007(2)
  C(8C)  .034(2)  .039(2)  .035(2)  -.005(2)  -.009(2)  -.005(2)
  C(8'C)  .036(3)  .035(2)  .036(2)  -.012(2)  -.009(2)  -.005(2)
  C(9C)  .044(3)  .041(3)  .040(3)  -.009(2)  -.015(2)  -.005(2)
  C(10C)  .042(3)  .035(2)  .042(3)  -.008(2)  -.012(2)  -.006(2)
  O(1D)  .068(2)  .048(2)  .046(2)  -.011(2)  -.020(2)  -.001(2)
  O(2D)  .044(2)  .048(2)  .043(2)  -.0106(14)  -.0147(15)  -.0079(14)
  N(1D)  .042(2)  .035(2)  .032(2)  -.009(2)  -.007(2)  -.007(2)
  C(1D)  .030(2)  .042(3)  .038(2)  .002(2)  -.008(2)  -.015(2)
  C(2D)  .043(3)  .049(3)  .052(3)  .000(2)  -.011(2)  -.013(2)
  C(3D)  .047(3)  .059(3)  .059(3)  -.005(2)  -.021(2)  -.020(3)
  C(4D)  .042(3)  .056(3)  .060(3)  -.008(2)  -.012(2)  -.020(3)
  C(4'D)  .037(3)  .042(3)  .051(3)  -.008(2)  -.006(2)  -.010(2)
  C(5D)  .051(3)  .052(3)  .064(3)  -.017(2)  -.008(3)  -.011(3)
  C(6D)  .063(3)  .046(3)  .053(3)  -.020(2)  -.015(3)  .003(2)
  C(7D)  .050(3)  .043(3)  .048(3)  -.010(2)  -.013(2)  -.005(2)
  C(8D)  .033(2)  .037(2)  .040(2)  -.006(2)  -.006(2)  -.008(2)
  C(8'D)  .030(2)  .042(3)  .038(2)  .000(2)  -.004(2)  -.014(2)
  C(9D)  .040(3)  .039(3)  .038(3)  .000(2)  -.009(2)  -.011(2)
  C(10D)  .033(2)  .036(2)  .040(2)  -.005(2)  -.003(2)  -.012(2)
  C(11C)  .039(2)  .036(2)  .034(2)  -.004(2)  -.011(2)  -.007(2)
  C(12C)  .041(3)  .040(2)  .043(2)  -.014(2)  -.007(2)  -.008(2)
  C(13C)  .047(3)  .045(3)  .040(3)  -.012(2)  .005(2)  -.004(2)
  C(14C)  .045(3)  .038(2)  .043(3)  -.009(2)  .003(2)  -.011(2)
  C(15C)  .037(2)  .033(2)  .039(2)  -.008(2)  -.007(2)  -.005(2)
  O(1SA)  .072(2)  .059(2)  .063(2)  -.007(2)  -.017(2)  .009(2)
  O(2SA)  .052(2)  .064(2)  .052(2)  -.009(2)  -.010(2)  -.006(2)
  C(1SA)  .047(3)  .059(3)  .039(3)  -.008(3)  -.015(2)  -.003(2)
  C(2SA)  .073(4)  .061(3)  .046(3)  -.022(3)  -.013(3)  -.010(3)
  F(1SA)  .190(4)  .134(3)  .089(2)  -.015(3)  -.072(3)  -.053(2)
  F(2SA)  .090(2)  .071(2)  .077(2)  -.010(2)  .016(2)  -.017(2)
  F(3SA)  .092(2)  .052(2)  .070(2)  -.008(2)  .003(2)  -.002(2)
  O(2SB)  .086(3)  .066(2)  .089(3)  -.015(2)  -.006(2)  -.027(2)
  O(1SB)  .112(4)  .127(4)  .099(3)  -.040(3)  -.032(3)  -.036(3)
  C(1SB)  .101(5)  .044(3)  .061(3)  -.014(3)  -.019(3)  -.016(3)
  C(2SB)  .075(5)  .091(5)  .087(5)  -.003(4)  .004(4)  -.043(4)
  F(1SB)  .097(3)  .293(7)  .112(3)  .045(4)  -.022(3)  -.008(4)
  F(2SB)  .124(4)  .148(4)  .224(5)  -.074(3)  .050(4)  -.094(4)
  F(3SB)  .103(3)  .121(3)  .079(2)  -.013(2)  -.003(2)  -.035(2)
  O(1W)  .047(2)  .069(2)  .050(2)  .000(2)  -.021(2)  -.007(2)
  O(2W)  .052(2)  .048(2)  .095(3)  .001(2)  -.028(2)  -.018(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O(1A) C(9A) . 1.223(5) ?
  O(2A) C(10A) . 1.217(5) ?
  N(1A) C(10A) . 1.399(5) ?
  N(1A) C(9A) . 1.405(5) ?
  N(1A) C(11A) . 1.446(5) ?
  N(2AB) C(15A) . 1.330(5) ?
  N(2AB) C(11A) . 1.330(5) ?
  C(1A) C(2A) . 1.383(6) ?
  C(1A) C(8'A) . 1.410(6) ?
  C(1A) C(9A) . 1.457(6) ?
  C(2A) C(3A) . 1.390(6) ?
  C(3A) C(4A) . 1.346(7) ?
  C(4A) C(4'A) . 1.431(7) ?
  C(4'A) C(5A) . 1.396(7) ?
  C(4'A) C(8'A) . 1.417(6) ?
  C(5A) C(6A) . 1.356(7) ?
  C(6A) C(7A) . 1.397(6) ?
  C(7A) C(8A) . 1.380(6) ?
  C(8A) C(8'A) . 1.407(6) ?
  C(8A) C(10A) . 1.470(6) ?
  O(1B) C(9B) . 1.228(4) ?
  O(2B) C(10B) . 1.213(4) ?
  N(1B) C(9B) . 1.407(5) ?
  N(1B) C(10B) . 1.417(5) ?
  N(1B) C(15A) . 1.434(5) ?
  C(1B) C(2B) . 1.377(5) ?
  C(1B) C(8'B) . 1.422(5) ?
  C(1B) C(9B) . 1.458(5) ?
  C(2B) C(3B) . 1.397(6) ?
  C(3B) C(4B) . 1.362(6) ?
  C(4B) C(4'B) . 1.419(6) ?
  C(4'B) C(8'B) . 1.415(5) ?
  C(4'B) C(5B) . 1.415(6) ?
  C(5B) C(6B) . 1.363(6) ?
  C(6B) C(7B) . 1.405(6) ?
  C(7B) C(8B) . 1.374(5) ?
  C(8B) C(8'B) . 1.411(5) ?
  C(8B) C(10B) . 1.455(5) ?
  C(11A) C(12A) . 1.366(5) ?
  C(12A) C(13A) . 1.377(5) ?
  C(13A) C(14A) . 1.392(5) ?
  C(14A) C(15A) . 1.377(5) ?
  O(1C) C(9C) . 1.228(5) ?
  O(2C) C(10C) . 1.215(4) ?
  N(1C) C(9C) . 1.384(5) ?
  N(1C) C(10C) . 1.408(5) ?
  N(1C) C(11C) . 1.438(5) ?
  N(2CD) C(15C) . 1.317(5) ?
  N(2CD) C(11C) . 1.322(5) ?
  C(1C) C(2C) . 1.391(6) ?
  C(1C) C(8'C) . 1.401(6) ?
  C(1C) C(9C) . 1.456(6) ?
  C(2C) C(3C) . 1.398(6) ?
  C(3C) C(4C) . 1.356(7) ?
  C(4C) C(4'C) . 1.418(6) ?
  C(4'C) C(5C) . 1.394(6) ?
  C(4'C) C(8'C) . 1.417(5) ?
  C(5C) C(6C) . 1.369(6) ?
  C(6C) C(7C) . 1.398(6) ?
  C(7C) C(8C) . 1.363(5) ?
  C(8C) C(8'C) . 1.409(5) ?
  C(8C) C(10C) . 1.471(5) ?
  O(1D) C(9D) . 1.214(5) ?
  O(2D) C(10D) . 1.222(4) ?
  N(1D) C(10D) . 1.390(5) ?
  N(1D) C(9D) . 1.418(5) ?
  N(1D) C(15C) . 1.446(5) ?
  C(1D) C(2D) . 1.378(5) ?
  C(1D) C(8'D) . 1.397(5) ?
  C(1D) C(9D) . 1.470(5) ?
  C(2D) C(3D) . 1.400(6) ?
  C(3D) C(4D) . 1.360(6) ?
  C(4D) C(4'D) . 1.412(6) ?
  C(4'D) C(5D) . 1.403(6) ?
  C(4'D) C(8'D) . 1.435(5) ?
  C(5D) C(6D) . 1.376(6) ?
  C(6D) C(7D) . 1.400(6) ?
  C(7D) C(8D) . 1.370(6) ?
  C(8D) C(8'D) . 1.409(5) ?
  C(8D) C(10D) . 1.480(5) ?
  C(11C) C(12C) . 1.382(5) ?
  C(12C) C(13C) . 1.384(5) ?
  C(13C) C(14C) . 1.378(5) ?
  C(14C) C(15C) . 1.389(5) ?
  O(1SA) C(1SA) . 1.205(5) ?
  O(2SA) C(1SA) . 1.314(5) ?
  C(1SA) C(2SA) . 1.489(7) ?
  C(2SA) F(1SA) . 1.297(5) ?
  C(2SA) F(3SA) . 1.316(5) ?
  C(2SA) F(2SA) . 1.347(5) ?
  O(2SB) C(1SB) . 1.259(5) ?
  O(1SB) C(1SB) . 1.170(6) ?
  C(1SB) C(2SB) . 1.543(8) ?
  C(2SB) F(3SB) . 1.285(6) ?
  C(2SB) F(1SB) . 1.302(8) ?
  C(2SB) F(2SB) . 1.320(7) ?