#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2011413.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2011413
loop_
_publ_author_name
'Swenson, Dale C.'
'Dagorne, Samuel'
'Jordan, Richard F.'
_publ_section_title
;
A dicationic gallium--oxo--hydroxide cage compound
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1213
_journal_page_last               1215
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[Ga12 C12 H42 O14] (C24 F20 B1)2, 2C6 H5 Cl, 2H2 O'
_chemical_formula_moiety
'C12 H42 Ga12 O14 2+, 2C24 F20 B1 1-, 2C6 H5 Cl, 2H2 O'
_chemical_formula_sum            'C72 H56 B2 Cl2 F40 Ga12 O16'
_chemical_formula_weight         2866.32
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.98(2)
_cell_angle_beta                 106.91(2)
_cell_angle_gamma                83.71(2)
_cell_formula_units_Z            1
_cell_length_a                   13.532(3)
_cell_length_b                   15.223(5)
_cell_length_c                   12.755(3)
_cell_measurement_temperature    210(2)
_cell_volume                     2455.7(11)
_diffrn_ambient_temperature      210(2)
_exptl_crystal_density_diffrn    1.938
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2011413
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ga1 -.02716(6) .61462(7) .72588(8) .0395(3) Uani d . 1 . . Ga
Ga2 -.12731(6) .68139(7) .49122(8) .0393(3) Uani d . 1 . . Ga
Ga3 .00431(6) .60410(7) .31370(8) .0380(3) Uani d . 1 . . Ga
Ga4 .12123(6) .67728(7) .57710(8) .0390(3) Uani d . 1 . . Ga
Ga5 .21804(6) .48995(7) .46133(8) .0383(3) Uani d . 1 . . Ga
Ga6 .19113(6) .51130(7) .70914(8) .0384(3) Uani d . 1 . . Ga
C1 -.0722(7) .6618(7) .8566(7) .059(3) Uani d . 1 . . C
H1A -.0286 .7088 .9025 .088 Uiso calc R 1 . . H
H1B -.0681 .6146 .8976 .088 Uiso calc R 1 . . H
H1C -.1424 .6854 .8353 .088 Uiso calc R 1 . . H
C2 -.1809(7) .8022(6) .5236(9) .068(3) Uani d . 1 . . C
H2A -.1686 .8364 .4737 .103 Uiso calc R 1 . . H
H2B -.1472 .8286 .5991 .103 Uiso calc R 1 . . H
H2C -.2540 .8024 .5141 .103 Uiso calc R 1 . . H
C3 -.0387(7) .6729(6) .2004(9) .061(3) Uani d . 1 . . C
H3A -.1013 .6503 .1478 .091 Uiso calc R 1 . . H
H3B .0142 .6689 .1630 .091 Uiso calc R 1 . . H
H3C -.0511 .7345 .2324 .091 Uiso calc R 1 . . H
C4 .2086(6) .7753(6) .5933(7) .049(2) Uani d . 1 . . C
H4A .2606 .7802 .6636 .074 Uiso calc R 1 . . H
H4B .1671 .8305 .5905 .074 Uiso calc R 1 . . H
H4C .2412 .7635 .5339 .074 Uiso calc R 1 . . H
C5 .3608(6) .4564(7) .4715(8) .056(3) Uani d . 1 . . C
H5A .3738 .4566 .4015 .084 Uiso calc R 1 . . H
H5B .3766 .3972 .4891 .084 Uiso calc R 1 . . H
H5C .4035 .4985 .5290 .084 Uiso calc R 1 . . H
C6 .3008(6) .5546(7) .8401(6) .049(2) Uani d . 1 . . C
H6A .3373 .5045 .8722 .073 Uiso calc R 1 . . H
H6B .2717 .5945 .8936 .073 Uiso calc R 1 . . H
H6C .3478 .5862 .8195 .073 Uiso calc R 1 . . H
O7 .1262(3) .3968(4) .4158(4) .0375(14) Uani d . 1 . . O
O8 -.0539(3) .4933(4) .2882(4) .0369(14) Uani d . 1 . . O
O9 .1802(4) .5611(4) .5844(5) .0391(14) Uani d . 1 . . O
O10 .0014(4) .6555(4) .4569(4) .0406(15) Uani d . 1 . . O
O11 .0611(4) .6916(4) .6995(5) .0447(15) Uani d . 1 . . O
H11 .0760 .7383 .7481 .054 Uiso calc R 1 . . H
O12 -.2113(4) .6128(4) .3535(5) .0461(16) Uani d . 1 . . O
H12 -.2623 .6411 .3174 .055 Uiso calc R 1 . . H
O13 .1478(4) .5621(4) .3521(5) .0476(16) Uani d . 1 . . O
H13 .1842 .5773 .3164 .057 Uiso calc R 1 . . H
B10 -.6254(6) .7575(6) .2496(7) .029(2) Uani d . 1 . . B
C11 -.6665(6) .6538(6) .1930(8) .044(2) Uani d . 1 . . C
F12 -.4992(3) .5922(3) .2695(4) .0524(14) Uani d . 1 . . F
C12 -.5963(5) .5769(7) .2022(7) .041(2) Uani d . 1 . . C
F13 -.5487(4) .4240(4) .1796(5) .0667(16) Uani d . 1 . . F
C13 -.6187(6) .4927(7) .1584(8) .046(2) Uani d . 1 . . C
F14 -.7441(4) .3892(4) .0406(5) .0769(18) Uani d . 1 . . F
C14 -.7202(6) .4741(6) .0949(8) .047(2) Uani d . 1 . . C
F15 -.8851(4) .5296(4) .0057(5) .0724(18) Uani d . 1 . . F
C15 -.7923(7) .5454(8) .0758(8) .056(3) Uani d . 1 . . C
F16 -.8383(3) .6956(4) .0962(4) .0532(14) Uani d . 1 . . F
C16 -.7630(6) .6307(7) .1220(8) .048(2) Uani d . 1 . . C
C21 -.5524(5) .7643(5) .1639(7) .034(2) Uani d . 1 . . C
F22 -.3850(3) .7414(4) .2903(4) .0539(14) Uani d . 1 . . F
C22 -.4445(7) .7549(6) .1844(8) .050(3) Uani d . 1 . . C
F23 -.2833(3) .7483(4) .1466(5) .0641(16) Uani d . 1 . . F
C23 -.3920(6) .7564(7) .1103(10) .060(3) Uani d . 1 . . C
C24 -.4376(7) .7656(7) .0060(9) .055(3) Uani d . 1 . . C
F24 -.3879(5) .7701(4) -.0679(5) .0763(18) Uani d . 1 . . F
F25 -.5989(4) .7798(4) -.1314(4) .0754(18) Uani d . 1 . . F
C25 -.5480(8) .7717(7) -.0285(8) .060(3) Uani d . 1 . . C
F26 -.7038(4) .7759(4) .0148(4) .0570(14) Uani d . 1 . . F
C26 -.5977(6) .7712(6) .0498(8) .049(2) Uani d . 1 . . C
C31 -.5615(6) .7729(6) .3796(7) .044(2) Uani d . 1 . . C
F32 -.4895(4) .9015(4) .3638(4) .0545(14) Uani d . 1 . . F
C32 -.5005(6) .8429(6) .4285(8) .045(2) Uani d . 1 . . C
F33 -.3912(5) .9382(4) .5800(5) .0794(19) Uani d . 1 . . F
C33 -.4515(7) .8670(7) .5398(9) .061(3) Uani d . 1 . . C
F34 -.4135(5) .8359(5) .7215(4) .095(2) Uani d . 1 . . F
C34 -.4604(9) .8133(8) .6121(9) .068(3) Uani d . 1 . . C
F35 -.5342(4) .6922(5) .6367(5) .082(2) Uani d . 1 . . F
C35 -.5247(7) .7415(8) .5664(7) .055(3) Uani d . 1 . . C
F36 -.6279(4) .6488(4) .4219(4) .0587(15) Uani d . 1 . . F
C36 -.5707(6) .7224(7) .4551(8) .049(2) Uani d . 1 . . C
C41 -.7184(6) .8388(7) .2436(7) .043(2) Uani d . 1 . . C
F42 -.7987(4) .7506(4) .3270(5) .0590(15) Uani d . 1 . . F
C42 -.7970(6) .8263(7) .2928(8) .046(2) Uani d . 1 . . C
F43 -.9431(4) .8789(5) .3586(5) .0777(19) Uani d . 1 . . F
C43 -.8720(6) .8934(8) .3068(8) .056(3) Uani d . 1 . . C
F44 -.9501(4) 1.0379(4) .2838(5) .0816(19) Uani d . 1 . . F
C44 -.8765(7) .9704(8) .2734(9) .067(3) Uani d . 1 . . C
C45 -.8003(7) .9841(6) .2209(8) .049(2) Uani d . 1 . . C
F45 -.8000(5) 1.0628(4) .1894(5) .0822(19) Uani d . 1 . . F
F46 -.6533(4) .9399(4) .1677(5) .0607(15) Uani d . 1 . . F
C46 -.7212(6) .9205(7) .2146(8) .055(3) Uani d . 1 . . C
O90 .1099(6) .8402(6) .8557(8) .088(2) Uani d D 1 . . O
H90A .088 .882 .820 .105 Uiso d D 1 . . H
H90B .1743 .844 .878 .105 Uiso d D 1 . . H
Cl01 -1.132(3) .927(3) .088(4) .116(8) Uani d PG .315(5) A 1 Cl
C101 -1.232(2) .9610(17) .150(2) .100(5) Uiso d PG .315(5) A 1 C
C102 -1.325(2) .996(3) .089(2) .100(5) Uiso d PG .315(5) A 1 C
H102 -1.3338 1.0014 .0151 .120 Uiso calc PR .315(5) A 1 H
C103 -1.406(2) 1.024(3) .138(3) .100(5) Uiso d PG .315(5) A 1 C
H103 -1.4679 1.0474 .0968 .120 Uiso calc PR .315(5) A 1 H
C104 -1.393(2) 1.016(3) .247(3) .100(5) Uiso d PG .315(5) A 1 C
H104 -1.4467 1.0344 .2802 .120 Uiso calc PR .315(5) A 1 H
C105 -1.300(3) .981(3) .308(3) .100(5) Uiso d PG .315(5) A 1 C
H105 -1.2915 .9755 .3819 .120 Uiso calc PR .315(5) A 1 H
C106 -1.220(2) .953(3) .259(3) .100(5) Uiso d PG .315(5) A 1 C
H106 -1.1575 .9296 .3002 .120 Uiso calc PR .315(5) A 1 H
Cl11 -1.111(3) .895(3) .076(4) .116(8) Uani d PG .315(5) A 2 Cl
C111 -1.207(2) .9370(18) .141(3) .100(5) Uiso d PG .315(5) A 2 C
C112 -1.303(3) .968(3) .080(2) .100(5) Uiso d PG .315(5) A 2 C
H112 -1.3151 .9669 .0043 .120 Uiso calc PR .315(5) A 2 H
C113 -1.380(2) 1.001(3) .133(3) .100(5) Uiso d PG .315(5) A 2 C
H113 -1.4433 1.0223 .0918 .120 Uiso calc PR .315(5) A 2 H
C114 -1.361(2) 1.003(3) .246(3) .100(5) Uiso d PG .315(5) A 2 C
H114 -1.4124 1.0257 .2813 .120 Uiso calc PR .315(5) A 2 H
C115 -1.266(3) .972(3) .307(3) .100(5) Uiso d PG .315(5) A 2 C
H115 -1.2532 .9736 .3832 .120 Uiso calc PR .315(5) A 2 H
C116 -1.189(2) .939(3) .255(3) .100(5) Uiso d PG .315(5) A 2 C
H116 -1.1250 .9182 .2957 .120 Uiso calc PR .315(5) A 2 H
Cl21 -1.293(6) 1.026(7) .431(4) .145(9) Uani d PG .185(5) A 3 Cl
C121 -1.279(4) 1.000(4) .297(3) .085(8) Uiso d PG .185(5) A 3 C
C122 -1.187(4) .958(4) .278(3) .085(8) Uiso d PG .185(5) A 3 C
H122 -1.1339 .9434 .3372 .102 Uiso calc PR .185(5) A 3 H
C123 -1.176(3) .938(4) .170(4) .085(8) Uiso d PG .185(5) A 3 C
H123 -1.1152 .9100 .1579 .102 Uiso calc PR .185(5) A 3 H
C124 -1.256(4) .960(4) .082(3) .085(8) Uiso d PG .185(5) A 3 C
H124 -1.2489 .9470 .0100 .102 Uiso calc PR .185(5) A 3 H
C125 -1.348(3) 1.003(4) .101(4) .085(8) Uiso d PG .185(5) A 3 C
H125 -1.4012 1.0175 .0414 .102 Uiso calc PR .185(5) A 3 H
C126 -1.359(3) 1.023(4) .208(4) .085(8) Uiso d PG .185(5) A 3 C
H126 -1.4199 1.0509 .2208 .102 Uiso calc PR .185(5) A 3 H
Cl31 -1.294(6) 1.013(7) .400(4) .145(9) Uani d PG .18 A 4 Cl
C131 -1.292(4) .994(4) .261(3) .085(8) Uiso d PG .185(5) A 4 C
C132 -1.200(3) .967(4) .233(3) .085(8) Uiso d PG .185(5) A 4 C
H132 -1.1395 .9592 .2891 .102 Uiso calc PR .185(5) A 4 H
C133 -1.199(3) .951(4) .123(3) .085(8) Uiso d PG .185(5) A 4 C
H133 -1.1370 .9332 .1041 .102 Uiso calc PR .185(5) A 4 H
C134 -1.289(4) .963(4) .040(3) .085(8) Uiso d PG .185(5) A 4 C
H134 -1.2883 .9525 -.0346 .102 Uiso calc PR .185(5) A 4 H
C135 -1.381(3) .990(4) .067(4) .085(8) Uiso d PG .185(5) A 4 C
H135 -1.4420 .9977 .0117 .102 Uiso calc PR .185(5) A 4 H
C136 -1.383(3) 1.006(4) .178(4) .085(8) Uiso d PG .185(5) A 4 C
H136 -1.4445 1.0236 .1967 .102 Uiso calc PR .185(5) A 4 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
Ga1 .0226(4) .0617(7) .0356(6) .0006(4) .0117(4) .0080(5)
Ga2 .0209(4) .0522(7) .0435(6) .0053(4) .0099(4) .0082(5)
Ga3 .0206(4) .0570(7) .0387(6) .0011(4) .0097(4) .0132(5)
Ga4 .0214(4) .0534(7) .0410(6) -.0029(4) .0083(4) .0060(5)
Ga5 .0153(4) .0602(7) .0409(6) .0028(4) .0110(4) .0106(5)
Ga6 .0180(4) .0610(7) .0344(6) -.0003(4) .0064(4) .0069(5)
C1 .061(6) .085(8) .021(5) -.002(6) -.002(4) .005(5)
C2 .051(6) .047(6) .084(8) .007(5) -.012(6) .010(6)
C3 .033(5) .053(7) .096(8) .001(4) .018(5) .015(6)
C4 .033(5) .060(7) .052(6) -.016(4) .011(4) .000(5)
C5 .035(5) .078(8) .052(6) .016(5) .014(4) .014(5)
C6 .047(5) .079(7) .024(5) -.007(5) .018(4) .003(5)
O7 .015(2) .057(4) .041(3) .008(2) .010(2) .011(3)
O8 .015(2) .064(4) .035(3) -.005(2) .005(2) .016(3)
O9 .033(3) .046(4) .046(4) -.002(3) .020(3) .014(3)
O10 .021(3) .050(4) .047(4) .001(2) .012(3) -.002(3)
O11 .042(3) .043(4) .048(4) -.004(3) .017(3) -.002(3)
O12 .025(3) .054(4) .048(4) .006(3) -.007(3) .011(3)
O13 .019(3) .069(4) .061(4) -.005(3) .014(3) .021(3)
B10 .012(4) .045(6) .029(5) .001(4) .005(4) .005(4)
C11 .028(4) .049(6) .062(6) .004(4) .029(4) .005(5)
F12 .029(2) .071(4) .055(3) .010(2) .007(2) .018(3)
C12 .015(4) .068(7) .040(5) .000(4) .005(4) .013(5)
F13 .055(3) .061(4) .086(4) .001(3) .024(3) .014(3)
C13 .033(5) .051(6) .052(6) .011(4) .018(4) .005(5)
F14 .052(3) .081(5) .087(4) -.005(3) .019(3) -.011(4)
C14 .036(5) .038(6) .060(6) -.003(4) .010(4) -.004(5)
F15 .032(3) .106(5) .059(4) -.009(3) -.002(3) -.011(3)
C15 .039(5) .084(8) .049(6) -.014(5) .016(5) .009(6)
F16 .028(2) .072(4) .053(3) .005(2) .004(2) .012(3)
C16 .028(5) .063(7) .049(6) .002(4) .008(4) .008(5)
C21 .010(3) .030(5) .055(6) .000(3) .000(4) .005(4)
F22 .020(2) .085(4) .052(3) .008(2) .007(2) .013(3)
C22 .036(5) .046(6) .070(7) -.002(4) .021(5) .005(5)
F23 .021(2) .093(4) .075(4) .005(3) .017(2) .009(3)
C23 .019(4) .076(8) .082(8) .004(4) .008(5) .016(6)
C24 .034(5) .059(7) .072(8) -.007(4) .022(5) -.003(6)
F24 .081(4) .105(5) .066(4) .002(4) .050(3) .027(4)
F25 .075(4) .111(5) .045(4) .000(4) .011(3) .033(3)
C25 .052(6) .082(8) .041(6) -.009(5) .002(5) .011(6)
F26 .041(3) .076(4) .047(3) .001(3) .000(2) .014(3)
C26 .027(4) .057(7) .057(6) .003(4) .005(4) .010(5)
C31 .030(4) .057(7) .038(5) .007(4) .005(4) .005(5)
F32 .043(3) .061(4) .055(3) .000(3) .008(2) .009(3)
C32 .038(5) .052(6) .044(6) .008(4) .015(5) .007(5)
F33 .069(4) .082(5) .062(4) .003(3) .005(3) -.018(3)
C33 .041(5) .050(7) .069(8) .012(5) .001(5) -.013(6)
F34 .099(5) .138(6) .028(3) .010(4) .010(3) -.007(4)
C34 .069(7) .078(9) .047(7) .049(7) .023(6) .005(7)
F35 .066(4) .129(6) .057(4) .024(4) .023(3) .035(4)
C35 .055(6) .077(8) .020(5) .016(5) -.001(5) .009(5)
F36 .054(3) .077(4) .043(3) .010(3) .009(3) .019(3)
C36 .023(4) .063(7) .058(7) .013(4) .012(4) .013(6)
C41 .020(4) .073(7) .036(5) .007(4) .000(4) .026(5)
F42 .037(3) .066(4) .082(4) .006(3) .025(3) .023(3)
C42 .037(5) .052(6) .055(6) .007(4) .022(4) .015(5)
F43 .042(3) .125(6) .075(4) .001(3) .037(3) .010(4)
C43 .013(4) .083(8) .060(7) -.005(5) -.002(4) -.001(6)
F44 .057(4) .069(4) .109(5) .022(3) .025(3) .005(4)
C44 .028(5) .067(8) .081(8) .010(5) -.007(5) -.002(6)
C45 .049(6) .037(6) .057(6) .004(4) .015(5) .004(5)
F45 .076(4) .063(4) .101(5) .024(3) .020(4) .023(4)
F46 .043(3) .066(4) .075(4) .007(3) .016(3) .022(3)
C46 .027(5) .071(8) .055(6) .011(5) .000(4) .005(6)
O90 .084(6) .072(6) .091(7) .005(5) .005(5) .011(5)
Cl01 .115(14) .13(3) .105(10) -.019(12) .043(7) .002(14)
Cl11 .115(14) .13(3) .105(10) -.019(12) .043(7) .002(14)
Cl21 .144(11) .13(2) .17(2) -.030(12) .058(19) .02(2)
Cl31 .144(11) .13(2) .17(2) -.030(12) .058(19) .02(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
Ga1 O8 2_566 1.879(6) yes
Ga1 O7 2_566 1.898(5) yes
Ga1 O11 . 1.901(6) yes
Ga1 C1 . 1.915(9) yes
Ga2 O7 2_566 1.843(6) yes
Ga2 O10 . 1.898(5) yes
Ga2 C2 . 1.910(9) yes
Ga2 O12 . 1.950(5) yes
Ga3 O10 . 1.842(5) yes
Ga3 O8 . 1.868(6) yes
Ga3 C3 . 1.879(10) yes
Ga3 O13 . 1.929(5) yes
Ga4 O9 . 1.868(6) yes
Ga4 O10 . 1.884(5) yes
Ga4 O11 . 1.925(5) yes
Ga4 C4 . 1.945(8) yes
Ga5 O7 . 1.875(5) yes
Ga5 O9 . 1.881(5) yes
Ga5 C5 . 1.917(8) yes
Ga5 O13 . 1.920(6) yes
Ga6 O9 . 1.863(5) yes
Ga6 O8 2_566 1.876(5) yes
Ga6 O12 2_566 1.916(6) yes
Ga6 C6 . 1.934(8) yes
C1 H1A . .9600 ?
C1 H1B . .9600 ?
C1 H1C . .9600 ?
C2 H2A . .9600 ?
C2 H2B . .9600 ?
C2 H2C . .9600 ?
C3 H3A . .9600 ?
C3 H3B . .9600 ?
C3 H3C . .9600 ?
C4 H4A . .9600 ?
C4 H4B . .9600 ?
C4 H4C . .9600 ?
C5 H5A . .9600 ?
C5 H5B . .9600 ?
C5 H5C . .9600 ?
C6 H6A . .9600 ?
C6 H6B . .9600 ?
C6 H6C . .9600 ?
O7 Ga2 2_566 1.843(6) ?
O7 Ga1 2_566 1.898(5) ?
O8 Ga6 2_566 1.876(5) ?
O8 Ga1 2_566 1.879(6) ?
O11 H11 . .8400 ?
O12 Ga6 2_566 1.916(6) ?
O12 H12 . .8400 ?
O13 H13 . .8400 ?
B10 C31 . 1.613(12) ?
B10 C41 . 1.662(12) ?
B10 C11 . 1.677(12) ?
B10 C21 . 1.696(11) ?
C11 C16 . 1.389(11) ?
C11 C12 . 1.425(12) ?
F12 C12 . 1.358(8) ?
C12 C13 . 1.317(12) ?
F13 C13 . 1.348(10) ?
C13 C14 . 1.402(12) ?
F14 C14 . 1.357(10) ?
C14 C15 . 1.389(13) ?
F15 C15 . 1.326(10) ?
C15 C16 . 1.361(13) ?
F16 C16 . 1.357(10) ?
C21 C22 . 1.403(11) ?
C21 C26 . 1.427(12) ?
F22 C22 . 1.401(10) ?
C22 C23 . 1.343(13) ?
F23 C23 . 1.406(9) ?
C23 C24 . 1.324(13) ?
C24 F24 . 1.324(10) ?
C24 C25 . 1.428(12) ?
F25 C25 . 1.317(10) ?
C25 C26 . 1.358(13) ?
F26 C26 . 1.373(9) ?
C31 C32 . 1.351(12) ?
C31 C36 . 1.390(12) ?
F32 C32 . 1.380(10) ?
C32 C33 . 1.370(13) ?
F33 C33 . 1.350(11) ?
C33 C34 . 1.392(15) ?
F34 C34 . 1.342(11) ?
C34 C35 . 1.392(15) ?
F35 C35 . 1.324(11) ?
C35 C36 . 1.356(12) ?
F36 C36 . 1.355(11) ?
C41 C46 . 1.362(13) ?
C41 C42 . 1.430(11) ?
F42 C42 . 1.319(10) ?
C42 C43 . 1.381(12) ?
F43 C43 . 1.374(11) ?
C43 C44 . 1.318(14) ?
F44 C44 . 1.365(11) ?
C44 C45 . 1.436(14) ?
C45 F45 . 1.341(10) ?
C45 C46 . 1.372(12) ?
F46 C46 . 1.320(11) ?
O90 H90A . .842 ?
O90 H90B . .838 ?
Cl01 C101 . 1.7400 ?
C101 C102 . 1.3900 ?
C101 C106 . 1.3900 ?
C102 C103 . 1.3900 ?
C102 H102 . .9300 ?
C103 C104 . 1.3900 ?
C103 H103 . .9300 ?
C104 C105 . 1.3900 ?
C104 H104 . .9300 ?
C105 C106 . 1.3900 ?
C105 H105 . .9300 ?
C106 H106 . .9300 ?
Cl11 C111 . 1.7400 ?
C111 C112 . 1.3900 ?
C111 C116 . 1.3900 ?
C112 C113 . 1.3900 ?
C112 H112 . .9300 ?
C113 C114 . 1.3900 ?
C113 H113 . .9300 ?
C114 C115 . 1.3900 ?
C114 H114 . .9300 ?
C115 C116 . 1.3900 ?
C115 H115 . .9300 ?
C116 H116 . .9300 ?
Cl21 C121 . 1.7400 ?
C121 C126 . 1.3900 ?
C121 C122 . 1.3900 ?
C122 C123 . 1.3900 ?
C122 H122 . .9300 ?
C123 C124 . 1.3900 ?
C123 H123 . .9300 ?
C124 C125 . 1.3900 ?
C124 H124 . .9300 ?
C125 C126 . 1.3900 ?
C125 H125 . .9300 ?
C126 H126 . .9300 ?
Cl31 C131 . 1.7400 ?
C131 C136 . 1.3900 ?
C131 C132 . 1.3900 ?
C132 C133 . 1.3900 ?
C132 H132 . .9300 ?
C133 C134 . 1.3900 ?
C133 H133 . .9300 ?
C134 C135 . 1.3900 ?
C134 H134 . .9300 ?
C135 C136 . 1.3900 ?
C135 H135 . .9300 ?
C136 H136 . .9300 ?