#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202476.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_2202476
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m745
_journal_page_last  m747
_publ_section_title
;
Mono-BBN (9-borabicyclo[3.3.1]nonane) adduct of
bis(diethylglyoximato)nickel(II)
;
loop_
_publ_author_name
  'Krivokapi\'c, Alexander'
  'Faiz, Jonathan A.'
  'Anderson, Harry L.'
_chemical_formula_moiety  'C20 H35 B N4 Ni O4'
_chemical_formula_sum  'C20 H35 B N4 Ni O4'
_chemical_formula_iupac  '[Ni (C20 H35 B N4 O4)]'
_chemical_formula_weight  465.04
_chemical_melting_point  '464-466 K'
_symmetry_cell_setting  'Triclinic'
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
_cell_length_a  11.5210(2)
_cell_length_b  14.8794(2)
_cell_length_c  14.9455(3)
_cell_angle_alpha  79.4462(6)
_cell_angle_beta  70.0605(7)
_cell_angle_gamma  69.4812(11)
_cell_volume  2249.76(7)
_cell_formula_units_Z  4
_cell_measurement_temperature  150
_exptl_crystal_density_diffrn  1.373
_diffrn_ambient_temperature  150
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_occupancy
_atom_site_type_symbol
  Ni2 0.82768(2) 0.154400(15) 0.186240(14) 0.0168 Uani 1.0000 Ni
  Ni1 0.62744(2) 0.290778(15) 0.381870(15) 0.0181 Uani 1.0000 Ni
  O2 0.69532(12) 0.42516(9) 0.22749(8) 0.0232 Uani 1.0000 O
  O6 0.62957(12) 0.16389(9) 0.10866(8) 0.0208 Uani 1.0000 O
  O1 0.83346(12) 0.37323(9) 0.33423(9) 0.0230 Uani 1.0000 O
  O7 0.88510(13) 0.04840(10)
  0.35124(9) 0.0264 Uani 1.0000 O
  O5 0.77390(12) 0.26067(8) 0.01671(8) 0.0211 Uani 1.0000 O
  O8 1.01845(13) 0.15270(10)
  0.26685(9) 0.0270 Uani 1.0000 O
  O4 0.55745(13) 0.15900(10)
  0.53723(9) 0.0282 Uani 1.0000 O
  N7 0.80814(14) 0.07110(10)
  0.29590(10)
  0.0202 Uani 1.0000 N
  N2 0.61485(14) 0.37160(10)
  0.27240(10)
  0.0208 Uani 1.0000 N
  N5 0.84553(14) 0.23910(10)
  0.07760(10)
  0.0195 Uani 1.0000 N
  O3 0.42657(14) 0.20690(10)
  0.42800(10)
  0.0321 Uani 1.0000 O
  N1 0.77108(14) 0.31240(10)
  0.39420(10)
  0.0205 Uani 1.0000 N
  N4 0.64320(15) 0.20650(10)
  0.48870(10)
  0.0221 Uani 1.0000 N
  N3 0.48927(15) 0.26433(11) 0.36647(11) 0.0230 Uani 1.0000 N
  N6 0.68868(14) 0.12420(10)
  0.17770(10)
  0.0181 Uani 1.0000 N
  N8 0.96283(14) 0.18910(10)
  0.19710(10)
  0.0212 Uani 1.0000 N
  C21 0.64047(17) 0.06820(12) 0.24642(12) 0.0212 Uani 1.0000 C
  C2 0.45210(18) 0.30743(13) 0.29240(13) 0.0252 Uani 1.0000 C
  C16 0.52409(18) 0.59805(13) 0.33978(14) 0.0274 Uani 1.0000 C
  C14 0.7175(2) 0.62121(14) 0.19610(14) 0.0316 Uani 1.0000 C
  C37 0.84283(17) 0.08253(12) -0.02190(12) 0.0227 Uani 1.0000 C
  C24 0.93123(17) 0.28217(12) 0.06129(13) 0.0220 Uani 1.0000 C
  C33 0.64866(17) 0.21324(12) -0.06560(13) 0.0231 Uani 1.0000 C
  C34 0.74256(19) 0.23540(14) -0.16253(13) 0.0295 Uani 1.0000 C
  C40 0.5900(2) 0.13490(14) -0.06669(15) 0.0315 Uani 1.0000 C
  C38 0.7859(2) 0.00399(13) -0.02518(14) 0.0302 Uani 1.0000 C
  C27 0.68475(19) -0.03326(14) 0.40220(13) 0.0275 Uani 1.0000 C
  C15 0.5854(2) 0.66885(14) 0.26780(16) 0.0342 Uani 1.0000 C
  C5 0.5189(2) 0.41819(15) 0.13969(13) 0.0305 Uani 1.0000 C
  C23 0.99886(17) 0.25473(12) 0.13432(13) 0.0229 Uani 1.0000 C
  C32 0.8619(2) 0.44817(15) -0.02188(16) 0.0386 Uani 1.0000 C
  C1 0.53149(17) 0.36840(12) 0.23382(12) 0.0225 Uani 1.0000 C
  C25 0.5245(2) 0.04020(16) 0.25434(15) 0.0328 Uani 1.0000 C
  C17 0.61955(16) 0.51620(12) 0.38224(12) 0.0208 Uani 1.0000 C
  C36 0.93601(19) 0.10578(14) -0.11795(13) 0.0294 Uani 1.0000 C
  C4 0.82135(18) 0.25716(13) 0.45814(13) 0.0231 Uani 1.0000 C
  C3 0.74068(18) 0.19660(13) 0.51774(12) 0.0242 Uani 1.0000 C
  C35 0.8708(2) 0.15339(16) -0.19585(13) 0.0343 Uani 1.0000 C
  C28 0.7894(2) -0.13187(15) 0.39198(17) 0.0407 Uani 1.0000 C
  C22 0.71293(17) 0.03516(12) 0.31692(12) 0.0215 Uani 1.0000 C
  C13 0.81317(18) 0.53609(13) 0.23699(13) 0.0271 Uani 1.0000 C
  C7 0.3352(2) 0.30142(16) 0.27477(16) 0.0353 Uani 1.0000 C
  C20 0.8694(2) 0.56661(16) 0.30151(16) 0.0350 Uani 1.0000 C
  C26 0.5588(3) -0.06400(19) 0.23357(17) 0.0481 Uani 1.0000 C
  C29 1.09991(19) 0.29500(14) 0.13550(14) 0.0292 Uani 1.0000 C
  C11 0.9451(2) 0.25422(15) 0.47156(15) 0.0318 Uani 1.0000 C
  C10 0.8091(2) 0.02830(15) 0.59672(15) 0.0368 Uani 1.0000 C
  C9 0.7632(2) 0.13635(15) 0.60581(13) 0.0306 Uani 1.0000 C
  C31 0.96219(19) 0.34874(14) -0.02537(14) 0.0292 Uani 1.0000 C
  C12 0.9246(2) 0.32466(18) 0.54265(19) 0.0443 Uani 1.0000 C
  C18 0.67329(19) 0.55068(14) 0.44603(14) 0.0291 Uani 1.0000 C
  C39 0.6870(2) 0.03333(15) -0.08190(17) 0.0384 Uani 1.0000 C
  C30 1.2366(2) 0.23783(17) 0.07921(17) 0.0383 Uani 1.0000 C
  C19 0.7691(2) 0.60779(16) 0.39467(16) 0.0364 Uani 1.0000 C
  B2 0.72544(18) 0.17896(13) 0.01118(13) 0.0192 Uani 1.0000 B
  B1 0.73891(19) 0.46123(14) 0.29648(14) 0.0210 Uani 1.0000 B
  C6 0.4224(3) 0.51715(18) 0.14532(18) 0.0628 Uani 1.0000 C
  C8 0.2125(2) 0.3738(2) 0.3295(2) 0.0573 Uani 1.0000 C
  H161 0.4524 0.6346 0.3933 0.0313 Uiso 1.0000 H
  H162 0.4844 0.5690 0.3062 0.0313 Uiso 1.0000 H
  H141 0.7610 0.6714 0.1655 0.0343 Uiso 1.0000 H
  H142 0.6990 0.5966 0.1453 0.0343 Uiso 1.0000 H
  H371 0.8952 0.0569 0.0243 0.0258 Uiso 1.0000 H
  H331 0.5736 0.2742 -0.0495 0.0273 Uiso 1.0000 H
  H341 0.7649 0.2935 -0.1577 0.0317 Uiso 1.0000 H
  H342 0.6965 0.2512 -0.2124 0.0317 Uiso 1.0000 H
  H401 0.5471 0.1546 -0.1185 0.0403 Uiso 1.0000 H
  H402 0.5211 0.1326 -0.0034 0.0403 Uiso 1.0000 H
  H381 0.8598 -0.0535 -0.0537 0.0381 Uiso 1.0000 H
  H382 0.7410 -0.0160 0.0425 0.0381 Uiso 1.0000 H
  H271 0.6795 -0.0051 0.4602 0.0315 Uiso 1.0000 H
  H272 0.5987 -0.0419 0.4114 0.0315 Uiso 1.0000 H
  H151 0.5995 0.7128 0.3044 0.0376 Uiso 1.0000 H
  H152 0.5239 0.7091 0.2312 0.0376 Uiso 1.0000 H
  H51 0.6065 0.4235 0.0988 0.0347 Uiso 1.0000 H
  H52 0.4929 0.3776 0.1080 0.0347 Uiso 1.0000 H
  H321 0.8879 0.4888 -0.0816 0.0442 Uiso 1.0000 H
  H322 0.8540 0.4803 0.0344 0.0442 Uiso 1.0000 H
  H323 0.7749 0.4421 -0.0148 0.0442 Uiso 1.0000 H
  H251 0.4631 0.0501 0.3210 0.0424 Uiso 1.0000 H
  H252 0.4792 0.0836 0.2082 0.0424 Uiso 1.0000 H
  H171 0.5700 0.4720 0.4238 0.0241 Uiso 1.0000 H
  H361 0.9777 0.1508 -0.1073 0.0310 Uiso 1.0000 H
  H362 1.0063 0.0446 -0.1405 0.0310 Uiso 1.0000 H
  H351 0.9332 0.1798 -0.2507 0.0363 Uiso 1.0000 H
  H352 0.8522 0.1026 -0.2202 0.0363 Uiso 1.0000 H
  H281 0.7680 -0.1758 0.4501 0.0441 Uiso 1.0000 H
  H282 0.8760 -0.1244 0.3834 0.0441 Uiso 1.0000 H
  H283 0.7952 -0.1612 0.3346 0.0441 Uiso 1.0000 H
  H131 0.8886 0.5066 0.1811 0.0301 Uiso 1.0000 H
  H71 0.3446 0.3131 0.2047 0.0471 Uiso 1.0000 H
  H72 0.3281 0.2341 0.2959 0.0471 Uiso 1.0000 H
  H201 0.9114 0.6165 0.2649 0.0418 Uiso 1.0000 H
  H202 0.9376 0.5089 0.3192 0.0418 Uiso 1.0000 H
  H261 0.4784 -0.0796 0.2395 0.0640 Uiso 1.0000 H
  H262 0.6031 -0.1085 0.2796 0.0640 Uiso 1.0000 H
  H263 0.6192 -0.0750 0.1668 0.0640 Uiso 1.0000 H
  H291 1.0975 0.2948 0.2033 0.0376 Uiso 1.0000 H
  H292 1.0798 0.3633 0.1071 0.0376 Uiso 1.0000 H
  H111 0.9889 0.1873 0.4946 0.0403 Uiso 1.0000 H
  H112 1.0041 0.2710 0.4080 0.0403 Uiso 1.0000 H
  H101 0.8218 -0.0076 0.6580 0.0427 Uiso 1.0000 H
  H102 0.8936 0.0097 0.5443 0.0427 Uiso 1.0000 H
  H103 0.7428 0.0098 0.5808 0.0427 Uiso 1.0000 H
  H91 0.8300 0.1529 0.6228 0.0393 Uiso 1.0000 H
  H92 0.6793 0.1530 0.6592 0.0393 Uiso 1.0000 H
  H311 1.0486 0.3563 -0.0335 0.0337 Uiso 1.0000 H
  H312 0.9695 0.3182 -0.0827 0.0337 Uiso 1.0000 H
  H121 1.0088 0.3210 0.5502 0.0583 Uiso 1.0000 H
  H122 0.8660 0.3085 0.6069 0.0583 Uiso 1.0000 H
  H123 0.8812 0.3923 0.5203 0.0583 Uiso 1.0000 H
  H181 0.5984 0.5918 0.4943 0.0374 Uiso 1.0000 H
  H182 0.7203 0.4922 0.4813 0.0374 Uiso 1.0000 H
  H391 0.7370 0.0297 -0.1518 0.0513 Uiso 1.0000 H
  H392 0.6374 -0.0144 -0.0635 0.0513 Uiso 1.0000 H
  H301 1.3019 0.2666 0.0810 0.0476 Uiso 1.0000 H
  H302 1.2584 0.1693 0.1070 0.0476 Uiso 1.0000 H
  H303 1.2407 0.2378 0.0107 0.0476 Uiso 1.0000 H
  H191 0.8165 0.6104 0.4389 0.0473 Uiso 1.0000 H
  H192 0.7172 0.6757 0.3787 0.0473 Uiso 1.0000 H
  H61 0.4179 0.5468 0.0803 0.0693 Uiso 1.0000 H
  H62 0.4465 0.5598 0.1762 0.0693 Uiso 1.0000 H
  H63 0.3330 0.5139 0.1853 0.0693 Uiso 1.0000 H
  H81 0.1340 0.3693 0.3179 0.0716 Uiso 1.0000 H
  H82 0.2181 0.4407 0.3088 0.0716 Uiso 1.0000 H
  H83 0.2016 0.3618 0.4000 0.0716 Uiso 1.0000 H
  H1 0.9622 0.0981 0.3067 0.0500 Uiso 1.0000 H
  H2 0.4983 0.1708 0.4944 0.0500 Uiso 1.0000 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
  Ni2 0.01822(11) 0.01651(11) 0.01600(11) -0.00675(8) -0.00407(8) -0.00139(8)
  Ni1 0.02002(11) 0.01686(11) 0.01714(11) -0.00500(8) -0.00632(8) -0.00045(8)
  O2 0.0267(6) 0.0210(6) 0.0184(6) -0.0084(5) -0.0017(5) -0.0009(5)
  O6 0.0202(6) 0.0235(6) 0.0186(6) -0.0058(5) -0.0071(5) -0.0011(5)
  O1 0.0195(6) 0.0218(6) 0.0240(6) -0.0070(5) -0.0035(5) 0.0019(5)
  O7 0.0278(7) 0.0324(7) 0.0219(6) -0.0096(5) -0.0127(5) 0.0021(5)
  O5 0.0237(6) 0.0202(6) 0.0199(6) -0.0068(5) -0.0082(5) 0.0006(5)
  O8 0.0284(7) 0.0303(7) 0.0285(7) -0.0104(5) -0.0150(5) -0.0017(5)
  O4 0.0326(7) 0.0283(7) 0.0260(7) -0.0165(6) -0.0079(5) 0.0052(5)
  N7 0.0233(7) 0.0193(7) 0.0173(7) -0.0060(6) -0.0056(5) -0.0020(5)
  N2 0.0227(7) 0.0168(7) 0.0192(7) -0.0033(6) -0.0043(6) -0.0025(5)
  N5 0.0214(7) 0.0179(7) 0.0183(7) -0.0056(5) -0.0047(5) -0.0026(5)
  O3 0.0357(8) 0.0327(7) 0.0352(8) -0.0212(6) -0.0129(6) 0.0059(6)
  N1 0.0214(7) 0.0186(7) 0.0194(7) -0.0047(6) -0.0042(6) -0.0033(5)
  N4 0.0273(8) 0.0191(7) 0.0185(7) -0.0079(6) -0.0050(6) -0.0006(5)
  N3 0.0238(7) 0.0209(7) 0.0249(7) -0.0076(6) -0.0071(6) -0.0021(6)
  N6 0.0210(7) 0.0173(6) 0.0156(6) -0.0052(5) -0.0050(5) -0.0028(5)
  N8 0.0223(7) 0.0212(7) 0.0211(7) -0.0059(6) -0.0070(6) -0.0044(6)
  C21 0.0237(8) 0.0202(8) 0.0189(8) -0.0074(7) -0.0036(6) -0.0039(6)
  C2 0.0242(9) 0.0244(9) 0.0277(9) -0.0035(7) -0.0104(7) -0.0069(7)
  C16 0.0200(8) 0.0248(9) 0.0316(9) -0.0022(7) -0.0031(7) -0.0065(7)
  C14 0.0330(10)
  0.0225(9) 0.0310(10)
  -0.0088(8) -0.0028(8) 0.0051(7)
  C37 0.0237(8) 0.0206(8) 0.0195(8) 0.0009(7) -0.0092(7) -0.0018(6)
  C24 0.0189(8) 0.0187(8) 0.0228(8) -0.0042(6) 0.0001(6) -0.0038(6)
  C33 0.0208(8) 0.0207(8) 0.0239(8) -0.0005(6) -0.0079(7) -0.0021(6)
  C34 0.0310(10)
  0.0290(10)
  0.0213(8) 0.0011(8) -0.0125(7) 0.0030(7)
  C40 0.0340(10)
  0.0280(10)
  0.0376(11) -0.0054(8) -0.0218(9) -0.0028(8)
  C38 0.0363(11) 0.0182(8) 0.0330(10)
  -0.0003(7) -0.0131(8) -0.0064(7)
  C27 0.0297(9) 0.0295(9) 0.0202(8) -0.0117(8) -0.0035(7) 0.0026(7)
  C15 0.0310(10)
  0.0235(9) 0.0394(11) -0.0027(8) -0.0066(9) -0.0008(8)
  C5 0.0320(10)
  0.0330(10)
  0.0224(9) -0.0022(8) -0.0113(8) -0.0020(7)
  C23 0.0201(8) 0.0208(8) 0.0268(9) -0.0064(7) -0.0024(7) -0.0082(7)
  C32 0.0423(12) 0.0290(10)
  0.0387(11) -0.0146(9) -0.0061(9) 0.0081(8)
  C1 0.0243(8) 0.0190(8) 0.0205(8) 0.0012(7) -0.0085(7) -0.0054(6)
  C25 0.0330(10)
  0.0417(11) 0.0310(10)
  -0.0241(9) -0.0109(8) 0.0058(8)
  C17 0.0186(8) 0.0208(8) 0.0205(8) -0.0066(6) -0.0007(6) -0.0045(6)
  C36 0.0252(9) 0.0320(10)
  0.0186(8) 0.0038(7) -0.0048(7) -0.0020(7)
  C4 0.0253(9) 0.0218(8) 0.0213(8) -0.0047(7) -0.0078(7) -0.0030(6)
  C3 0.0306(9) 0.0225(8) 0.0190(8) -0.0065(7) -0.0084(7) -0.0019(6)
  C35 0.0300(10)
  0.0412(11) 0.0182(8) 0.0032(8) -0.0060(7) -0.0013(8)
  C28 0.0384(12) 0.0290(10)
  0.0422(12) -0.0106(9) -0.0036(9) 0.0096(9)
  C22 0.0236(8) 0.0204(8) 0.0189(8) -0.0074(7) -0.0028(6) -0.0032(6)
  C13 0.0223(9) 0.0229(9) 0.0271(9) -0.0053(7) 0.0020(7) -0.0017(7)
  C7 0.0382(11) 0.0389(11) 0.0387(11) -0.0140(9) -0.0222(9) -0.0021(9)
  C20 0.0270(10)
  0.0361(11) 0.0415(11) -0.0158(8) -0.0048(8) 0.0007(9)
  C26 0.0697(17) 0.0526(14) 0.0381(12) -0.0453(13) -0.0086(11) -0.0040(10)
  C29 0.0277(9) 0.0284(9) 0.0350(10)
  -0.0143(8) -0.0051(8) -0.0078(8)
  C11 0.0300(10)
  0.0350(10)
  0.0340(10)
  -0.0101(8) -0.0166(8) 0.0017(8)
  C10 0.0443(12) 0.0320(10)
  0.0300(10)
  -0.0061(9) -0.0171(9) 0.0086(8)
  C9 0.0423(11) 0.0330(10)
  0.0212(9) -0.0145(9) -0.0155(8) 0.0044(7)
  C31 0.0282(9) 0.0310(10)
  0.0254(9) -0.0150(8) -0.0005(7) 0.0021(7)
  C12 0.0496(14) 0.0425(12) 0.0559(14) -0.0160(10)
  -0.0323(12) -0.0037(11)
  C18 0.0300(10)
  0.0320(10)
  0.0269(9) -0.0137(8) -0.0033(8) -0.0077(7)
  C39 0.0488(13) 0.0290(10)
  0.0442(12) -0.0075(9) -0.0230(10)
  -0.0098(9)
  C30 0.0227(9) 0.0453(12) 0.0504(13) -0.0122(9) -0.0082(9) -0.0140(10)
  C19 0.0372(11) 0.0415(12) 0.0392(11) -0.0230(10)
  -0.0079(9) -0.0092(9)
  B2 0.0197(9) 0.0174(8) 0.0181(8) -0.0035(7) -0.0044(7) -0.0029(7)
  B1 0.0197(9) 0.0191(9) 0.0205(9) -0.0038(7) -0.0038(7) -0.0018(7)
  C6 0.099(2) 0.0326(12) 0.0368(13) 0.0152(13) -0.0340(14) -0.0010(10)
  C8 0.0279(11) 0.0723(18) 0.0782(19) -0.0171(12) -0.0166(12) -0.0168(15)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ni1 N1 . . 1.8651(15) yes
  Ni1 N2 . . 1.8612(14) yes
  Ni1 N3 . . 1.8612(15) yes
  Ni1 N4 . . 1.8598(15) yes
  Ni2 N5 . . 1.8626(14) yes
  Ni2 N6 . . 1.8570(14) yes
  Ni2 N7 . . 1.8630(14) yes
  Ni2 N8 . . 1.8666(15) yes
  O1 N1 . . 1.3630(18) yes
  O1 B1 . . 1.539(2) yes
  O2 N2 . . 1.3571(19) yes
  O2 B1 . . 1.532(2) yes
  O3 N3 . . 1.338(2) yes
  O4 N4 . . 1.3468(19) yes
  O4 H2 . . 1.038 no
  O5 N5 . . 1.3539(19) yes
  O5 B2 . . 1.530(2) yes
  O6 N6 . . 1.3601(18) yes
  O6 B2 . . 1.533(2) yes
  O7 N7 . . 1.3318(19) yes
  O7 H1 . . 1.287 no
  O8 N8 . . 1.3405(19) yes
  O8 H1 . . 1.167 no
  N1 C4 . . 1.297(2) yes
  N2 C1 . . 1.295(2) yes
  N3 C2 . . 1.300(2) yes
  N4 C3 . . 1.291(2) yes
  N5 C24 . . 1.291(2) yes
  N6 C21 . . 1.296(2) yes
  N7 C22 . . 1.305(2) yes
  N8 C23 . . 1.299(2) yes
  C1 C2 . . 1.473(3) yes
  C3 C4 . . 1.482(3) yes
  C17 C18 . . 1.536(3) no
  C21 C22 . . 1.473(2) yes
  C24 C23 . . 1.469(3) yes
  C21 C25 . . 1.495(3) no
  C2 C7 . . 1.493(3) no
  C16 C15 . . 1.534(3) no
  C16 C17 . . 1.533(3) no
  C16 H161 . . 1.005 no
  C16 H162 . . 1.011 no
  C14 C15 . . 1.542(3) no
  C14 C13 . . 1.546(3) no
  C14 H141 . . 1.000 no
  C14 H142 . . 1.011 no
  C37 C38 . . 1.543(3) no
  C37 C36 . . 1.536(2) no
  C37 B2 . . 1.605(2) no
  C37 H371 . . 1.006 no
  C24 C31 . . 1.500(2) no
  C33 C34 . . 1.544(3) no
  C33 C40 . . 1.544(3) no
  C33 B2 . . 1.588(3) no
  C33 H331 . . 1.008 no
  C34 C35 . . 1.542(3) no
  C34 H341 . . 1.006 no
  C34 H342 . . 1.006 no
  C40 C39 . . 1.534(3) no
  C40 H401 . . 1.003 no
  C40 H402 . . 1.010 no
  C38 C39 . . 1.543(3) no
  C38 H381 . . 1.006 no
  C38 H382 . . 1.010 no
  C27 C28 . . 1.532(3) no
  C27 C22 . . 1.497(2) no
  C27 H271 . . 1.006 no
  C27 H272 . . 1.004 no
  C15 H151 . . 1.010 no
  C15 H152 . . 1.003 no
  C5 C1 . . 1.494(2) no
  C5 C6 . . 1.498(3) no
  C5 H51 . . 1.008 no
  C5 H52 . . 1.004 no
  C23 C29 . . 1.491(2) no
  C32 C31 . . 1.521(3) no
  C32 H321 . . 0.999 no
  C32 H322 . . 1.004 no
  C32 H323 . . 1.006 no
  C25 C26 . . 1.523(3) no
  C25 H251 . . 1.007 no
  C25 H252 . . 1.006 no
  C17 B1 . . 1.611(2) no
  C17 H171 . . 1.008 no
  C36 C35 . . 1.530(3) no
  C36 H361 . . 1.011 no
  C36 H362 . . 1.004 no
  C4 C11 . . 1.490(3) no
  C3 C9 . . 1.497(2) no
  C35 H351 . . 1.011 no
  C35 H352 . . 1.009 no
  C28 H281 . . 1.000 no
  C28 H282 . . 1.005 no
  C28 H283 . . 1.004 no
  C13 C20 . . 1.532(3) no
  C13 B1 . . 1.597(3) no
  C13 H131 . . 1.009 no
  C7 C8 . . 1.514(4) no
  C7 H71 . . 1.004 no
  C7 H72 . . 1.016 no
  C20 C19 . . 1.539(3) no
  C20 H201 . . 1.004 no
  C20 H202 . . 1.006 no
  C26 H261 . . 1.003 no
  C26 H262 . . 1.003 no
  C26 H263 . . 1.007 no
  C29 C30 . . 1.527(3) no
  C29 H291 . . 1.004 no
  C29 H292 . . 1.005 no
  C11 C12 . . 1.532(3) no
  C11 H111 . . 1.003 no
  C11 H112 . . 1.010 no
  C10 C9 . . 1.523(3) no
  C10 H101 . . 1.001 no
  C10 H102 . . 1.004 no
  C10 H103 . . 1.005 no
  C9 H91 . . 1.002 no
  C9 H92 . . 1.006 no
  C31 H311 . . 1.005 no
  C31 H312 . . 1.008 no
  C12 H121 . . 0.996 no
  C12 H122 . . 1.012 no
  C12 H123 . . 1.006 no
  C18 C19 . . 1.540(3) no
  C18 H181 . . 1.003 no
  C18 H182 . . 1.012 no
  C39 H391 . . 1.007 no
  C39 H392 . . 1.007 no
  C30 H301 . . 0.997 no
  C30 H302 . . 1.006 no
  C30 H303 . . 1.008 no
  C19 H191 . . 1.004 no
  C19 H192 . . 1.010 no
  C6 H61 . . 1.002 no
  C6 H62 . . 1.005 no
  C6 H63 . . 1.013 no
  C8 H81 . . 1.004 no
  C8 H82 . . 1.004 no
  C8 H83 . . 1.007 no
_cod_database_code 2202476