#------------------------------------------------------------------------------
#$Date: 2016-02-25 08:43:00 +0200 (Thu, 25 Feb 2016) $
#$Revision: 176914 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/07/4100716.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_4100716
loop_
_publ_author_name
'Emmanuel Terazzi'
'Stephane Torelli'
'Jean-Pierre Rivera'
'Jean-Marc Benech'
'Gerald Bernardinelli'
'Cyril Bourgogne'
'Bertrand Donnio'
'Daniel Guillon'
'Daniel Imbert'
'Jean-Claude Bunzli'
'Andre Pinto'
'Damien Jeannerat'
'Claude Piguet'
_publ_section_title
;
Molecular Control of Macroscopic Cubic, Columnar and Lamellar
Organizations in Luminescent Lanthanide-containing Thermotropic
Liquid Crystals.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja0446101
_journal_year                    2005
_chemical_formula_sum            'C69 H71 B Co N3 O P3 Si'
_chemical_formula_weight         1149.03
_chemical_name_common            '[PhBP3]CoO(4-NMe2-Ph)3'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.696(2)
_cell_angle_beta                 75.993(2)
_cell_angle_gamma                72.962(1)
_cell_formula_units_Z            2
_cell_length_a                   12.1092(11)
_cell_length_b                   12.3919(11)
_cell_length_c                   21.3227(19)
_cell_measurement_temperature    100
_cell_volume                     2954.0(5)
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    1.292
_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               4100716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Co Co 0.47089(3) 0.18538(2) 0.253412(14) 0.01933(8) Uani 1 1 d . . .
O O 0.59602(12) 0.08539(11) 0.28105(7) 0.0228(4) Uani 1 1 d . . .
P1 P 0.45970(5) 0.18769(5) 0.14870(3) 0.02401(15) Uani 1 1 d . . .
P2 P 0.28848(5) 0.18655(5) 0.28463(3) 0.01908(14) Uani 1 1 d . . .
P3 P 0.41062(5) 0.37036(5) 0.25402(3) 0.02170(14) Uani 1 1 d . . .
Si Si 0.72515(5) 0.01876(5) 0.29559(3) 0.02087(15) Uani 1 1 d . . .
B B 0.2412(2) 0.3629(2) 0.17969(12) 0.0235(6) Uani 1 1 d . . .
N1 N 1.10368(19) 0.03800(18) 0.04812(10) 0.0457(6) Uani 1 1 d . . .
N2 N 0.75145(16) -0.47958(15) 0.38969(9) 0.0269(5) Uani 1 1 d . . .
N3 N 0.78926(15) 0.20629(15) 0.52985(8) 0.0243(5) Uani 1 1 d . . .
C4 C -0.0643(2) 0.5862(2) 0.09752(11) 0.0352(6) Uani 1 1 d . . .
H4 H -0.1296 0.6329 0.0801 0.042 Uiso 1 1 calc R . .
C5 C -0.0154(2) 0.4769(2) 0.08232(12) 0.0390(7) Uani 1 1 d . . .
H5 H -0.0472 0.4467 0.0546 0.047 Uiso 1 1 calc R . .
C6 C 0.0811(2) 0.4100(2) 0.10752(12) 0.0366(7) Uani 1 1 d . . .
H6 H 0.1142 0.3346 0.0959 0.044 Uiso 1 1 calc R . .
C1 C 0.13178(19) 0.44776(18) 0.14889(10) 0.0222(5) Uani 1 1 d . . .
C2 C 0.0774(2) 0.5589(2) 0.16344(12) 0.0353(6) Uani 1 1 d . . .
H2 H 0.1069 0.5894 0.1921 0.042 Uiso 1 1 calc R . .
C3 C -0.0179(2) 0.6272(2) 0.13807(13) 0.0388(7) Uani 1 1 d . . .
H3 H -0.0511 0.7030 0.1490 0.047 Uiso 1 1 calc R . .
C7 C 0.31562(18) 0.25982(18) 0.13237(10) 0.0227(5) Uani 1 1 d . . .
H7A H 0.3245 0.2924 0.0864 0.027 Uiso 1 1 calc R . .
H7B H 0.2692 0.2038 0.1383 0.027 Uiso 1 1 calc R . .
C8 C 0.18244(18) 0.30191(17) 0.25075(10) 0.0203(5) Uani 1 1 d . . .
H8A H 0.1181 0.2730 0.2446 0.024 Uiso 1 1 calc R . .
H8B H 0.1473 0.3599 0.2820 0.024 Uiso 1 1 calc R . .
C9 C 0.33135(19) 0.43528(18) 0.19029(10) 0.0238(5) Uani 1 1 d . . .
H9A H 0.2842 0.5127 0.2005 0.029 Uiso 1 1 calc R . .
H9B H 0.3889 0.4424 0.1491 0.029 Uiso 1 1 calc R . .
C10 C 0.5637(2) 0.25841(18) 0.09219(11) 0.0264(6) Uani 1 1 d . . .
C11 C 0.6676(2) 0.2557(2) 0.10966(12) 0.0392(7) Uani 1 1 d . . .
H11 H 0.6841 0.2155 0.1497 0.047 Uiso 1 1 calc R . .
C12 C 0.7476(2) 0.3100(2) 0.07016(13) 0.0482(8) Uani 1 1 d . . .
H12 H 0.8177 0.3079 0.0835 0.058 Uiso 1 1 calc R . .
C13 C 0.7262(2) 0.3673(2) 0.01137(14) 0.0461(7) Uani 1 1 d . . .
H13 H 0.7813 0.4045 -0.0159 0.055 Uiso 1 1 calc R . .
C14 C 0.6236(2) 0.3701(2) -0.00741(12) 0.0437(7) Uani 1 1 d . . .
H14 H 0.6087 0.4085 -0.0481 0.052 Uiso 1 1 calc R . .
C15 C 0.5425(2) 0.3169(2) 0.03308(11) 0.0358(6) Uani 1 1 d . . .
H15 H 0.4715 0.3206 0.0202 0.043 Uiso 1 1 calc R . .
C16 C 0.5039(2) 0.04535(18) 0.12153(10) 0.0240(5) Uani 1 1 d . . .
C17 C 0.6050(2) -0.03018(18) 0.13793(10) 0.0256(6) Uani 1 1 d . . .
H17 H 0.6512 -0.0056 0.1601 0.031 Uiso 1 1 calc R . .
C18 C 0.6392(2) -0.14080(19) 0.12235(11) 0.0288(6) Uani 1 1 d . . .
H18 H 0.7088 -0.1916 0.1336 0.035 Uiso 1 1 calc R . .
C19 C 0.5724(2) -0.1779(2) 0.09037(11) 0.0333(6) Uani 1 1 d . . .
H19 H 0.5959 -0.2540 0.0797 0.040 Uiso 1 1 calc R . .
C20 C 0.4726(2) -0.1047(2) 0.07425(12) 0.0427(7) Uani 1 1 d . . .
H20 H 0.4262 -0.1300 0.0525 0.051 Uiso 1 1 calc R . .
C21 C 0.4385(2) 0.0067(2) 0.08951(11) 0.0393(7) Uani 1 1 d . . .
H21 H 0.3692 0.0572 0.0778 0.047 Uiso 1 1 calc R . .
C22 C 0.27448(19) 0.05198(18) 0.26703(10) 0.0203(5) Uani 1 1 d . . .
C23 C 0.3708(2) -0.04299(18) 0.26793(10) 0.0235(5) Uani 1 1 d . . .
H23 H 0.4421 -0.0358 0.2758 0.028 Uiso 1 1 calc R . .
C24 C 0.3633(2) -0.14798(19) 0.25738(11) 0.0300(6) Uani 1 1 d . . .
H24 H 0.4289 -0.2124 0.2587 0.036 Uiso 1 1 calc R . .
C25 C 0.2606(2) -0.1589(2) 0.24499(11) 0.0315(6) Uani 1 1 d . . .
H25 H 0.2559 -0.2308 0.2375 0.038 Uiso 1 1 calc R . .
C26 C 0.1652(2) -0.0661(2) 0.24350(11) 0.0311(6) Uani 1 1 d . . .
H26 H 0.0947 -0.0736 0.2347 0.037 Uiso 1 1 calc R . .
C27 C 0.1719(2) 0.03933(19) 0.25485(10) 0.0268(6) Uani 1 1 d . . .
H27 H 0.1054 0.1031 0.2542 0.032 Uiso 1 1 calc R . .
C28 C 0.24897(19) 0.17773(17) 0.37308(10) 0.0178(5) Uani 1 1 d . . .
C29 C 0.3336(2) 0.11448(17) 0.40844(10) 0.0228(5) Uani 1 1 d . . .
H29 H 0.4089 0.0742 0.3864 0.027 Uiso 1 1 calc R . .
C30 C 0.3083(2) 0.11015(18) 0.47550(11) 0.0266(6) Uani 1 1 d . . .
H30 H 0.3659 0.0664 0.4994 0.032 Uiso 1 1 calc R . .
C31 C 0.1995(2) 0.16922(19) 0.50772(11) 0.0312(6) Uani 1 1 d . . .
H31 H 0.1827 0.1668 0.5537 0.037 Uiso 1 1 calc R . .
C32 C 0.1155(2) 0.23145(19) 0.47347(11) 0.0305(6) Uani 1 1 d . . .
H32 H 0.0405 0.2715 0.4959 0.037 Uiso 1 1 calc R . .
C33 C 0.1395(2) 0.23616(18) 0.40632(11) 0.0251(6) Uani 1 1 d . . .
H33 H 0.0810 0.2795 0.3829 0.030 Uiso 1 1 calc R . .
C34 C 0.32110(19) 0.42961(18) 0.32917(10) 0.0214(5) Uani 1 1 d . . .
C35 C 0.3613(2) 0.38608(18) 0.38656(11) 0.0263(6) Uani 1 1 d . . .
H35 H 0.4341 0.3294 0.3850 0.032 Uiso 1 1 calc R . .
C36 C 0.2978(2) 0.4236(2) 0.44530(11) 0.0327(6) Uani 1 1 d . . .
H36 H 0.3264 0.3924 0.4839 0.039 Uiso 1 1 calc R . .
C37 C 0.1921(2) 0.5068(2) 0.44828(12) 0.0356(6) Uani 1 1 d . . .
H37 H 0.1480 0.5327 0.4889 0.043 Uiso 1 1 calc R . .
C38 C 0.1510(2) 0.5518(2) 0.39243(12) 0.0337(6) Uani 1 1 d . . .
H38 H 0.0786 0.6092 0.3944 0.040 Uiso 1 1 calc R . .
C39 C 0.2150(2) 0.51382(19) 0.33307(11) 0.0273(6) Uani 1 1 d . . .
H39 H 0.1861 0.5457 0.2947 0.033 Uiso 1 1 calc R . .
C40 C 0.5384(2) 0.42674(19) 0.24314(10) 0.0243(5) Uani 1 1 d . . .
C41 C 0.6411(2) 0.3586(2) 0.26019(12) 0.0370(7) Uani 1 1 d . . .
H41 H 0.6462 0.2813 0.2758 0.044 Uiso 1 1 calc R . .
C42 C 0.7369(2) 0.4010(2) 0.25493(13) 0.0452(7) Uani 1 1 d . . .
H42 H 0.8073 0.3527 0.2666 0.054 Uiso 1 1 calc R . .
C43 C 0.7309(2) 0.5128(2) 0.23286(12) 0.0388(7) Uani 1 1 d . . .
H43 H 0.7968 0.5420 0.2289 0.047 Uiso 1 1 calc R . .
C44 C 0.6287(3) 0.5813(2) 0.21667(13) 0.0504(8) Uani 1 1 d . . .
H44 H 0.6234 0.6590 0.2021 0.060 Uiso 1 1 calc R . .
C45 C 0.5327(2) 0.5388(2) 0.22125(13) 0.0455(7) Uani 1 1 d . . .
H45 H 0.4627 0.5872 0.2092 0.055 Uiso 1 1 calc R . .
C46 C 0.84547(19) 0.02327(18) 0.22201(10) 0.0224(5) Uani 1 1 d . . .
C47 C 0.8872(2) -0.06233(19) 0.18007(11) 0.0272(6) Uani 1 1 d . . .
H47 H 0.8553 -0.1261 0.1908 0.033 Uiso 1 1 calc R . .
C48 C 0.9718(2) -0.0592(2) 0.12420(11) 0.0324(6) Uani 1 1 d . . .
H48 H 0.9983 -0.1212 0.0984 0.039 Uiso 1 1 calc R . .
C49 C 1.0192(2) 0.0333(2) 0.10494(11) 0.0311(6) Uani 1 1 d . . .
C50 C 0.9781(2) 0.1215(2) 0.14517(11) 0.0302(6) Uani 1 1 d . . .
H50 H 1.0078 0.1866 0.1335 0.036 Uiso 1 1 calc R . .
C51 C 0.89446(19) 0.11470(19) 0.20201(11) 0.0271(6) Uani 1 1 d . . .
H51 H 0.8694 0.1755 0.2286 0.032 Uiso 1 1 calc R . .
C52 C 1.1647(2) -0.0623(2) 0.01573(12) 0.0424(7) Uani 1 1 d . . .
H52A H 1.1990 -0.1227 0.0467 0.064 Uiso 1 1 calc R . .
H52B H 1.2277 -0.0459 -0.0199 0.064 Uiso 1 1 calc R . .
H52C H 1.1090 -0.0866 -0.0017 0.064 Uiso 1 1 calc R . .
C53 C 1.1345(2) 0.1412(2) 0.02350(12) 0.0479(8) Uani 1 1 d . . .
H53A H 1.0625 0.2039 0.0251 0.072 Uiso 1 1 calc R . .
H53B H 1.1781 0.1361 -0.0215 0.072 Uiso 1 1 calc R . .
H53C H 1.1839 0.1549 0.0500 0.072 Uiso 1 1 calc R . .
C54 C 0.73355(19) -0.13375(18) 0.32292(10) 0.0204(5) Uani 1 1 d . . .
C55 C 0.63381(19) -0.17160(18) 0.35254(10) 0.0237(5) Uani 1 1 d . . .
H55 H 0.5589 -0.1176 0.3578 0.028 Uiso 1 1 calc R . .
C56 C 0.63827(19) -0.28398(18) 0.37465(10) 0.0242(5) Uani 1 1 d . . .
H56 H 0.5674 -0.3048 0.3945 0.029 Uiso 1 1 calc R . .
C57 C 0.74647(19) -0.36714(18) 0.36794(10) 0.0211(5) Uani 1 1 d . . .
C58 C 0.84801(19) -0.33135(18) 0.33896(10) 0.0223(5) Uani 1 1 d . . .
H58 H 0.9230 -0.3852 0.3339 0.027 Uiso 1 1 calc R . .
C59 C 0.84059(19) -0.21862(18) 0.31761(10) 0.0228(5) Uani 1 1 d . . .
H59 H 0.9116 -0.1975 0.2984 0.027 Uiso 1 1 calc R . .
C60 C 0.6439(2) -0.51614(19) 0.40900(11) 0.0331(6) Uani 1 1 d . . .
H60A H 0.5971 -0.4842 0.4493 0.050 Uiso 1 1 calc R . .
H60B H 0.6637 -0.5991 0.4160 0.050 Uiso 1 1 calc R . .
H60C H 0.5981 -0.4899 0.3747 0.050 Uiso 1 1 calc R . .
C61 C 0.8644(2) -0.56395(18) 0.37945(12) 0.0328(6) Uani 1 1 d . . .
H61A H 0.8951 -0.5691 0.3328 0.049 Uiso 1 1 calc R . .
H61B H 0.8544 -0.6378 0.4006 0.049 Uiso 1 1 calc R . .
H61C H 0.9202 -0.5419 0.3981 0.049 Uiso 1 1 calc R . .
C62 C 0.74928(19) 0.08512(17) 0.36266(10) 0.0202(5) Uani 1 1 d . . .
C63 C 0.65257(19) 0.13877(17) 0.40794(10) 0.0210(5) Uani 1 1 d . . .
H63 H 0.5757 0.1489 0.4006 0.025 Uiso 1 1 calc R . .
C64 C 0.66264(19) 0.17782(17) 0.46280(10) 0.0205(5) Uani 1 1 d . . .
H64 H 0.5936 0.2131 0.4921 0.025 Uiso 1 1 calc R . .
C65 C 0.77397(19) 0.16569(17) 0.47542(10) 0.0203(5) Uani 1 1 d . . .
C66 C 0.87222(19) 0.11485(17) 0.42977(10) 0.0225(5) Uani 1 1 d . . .
H66 H 0.9492 0.1072 0.4361 0.027 Uiso 1 1 calc R . .
C67 C 0.85933(19) 0.07550(17) 0.37560(10) 0.0227(5) Uani 1 1 d . . .
H67 H 0.9282 0.0405 0.3460 0.027 Uiso 1 1 calc R . .
C68 C 0.68245(19) 0.26096(19) 0.57355(11) 0.0298(6) Uani 1 1 d . . .
H68A H 0.6347 0.3238 0.5492 0.045 Uiso 1 1 calc R . .
H68B H 0.7034 0.2902 0.6079 0.045 Uiso 1 1 calc R . .
H68C H 0.6370 0.2058 0.5931 0.045 Uiso 1 1 calc R . .
C69 C 0.8736(2) 0.1275(2) 0.56599(11) 0.0321(6) Uani 1 1 d . . .
H69A H 0.8415 0.0641 0.5880 0.048 Uiso 1 1 calc R . .
H69B H 0.8876 0.1672 0.5983 0.048 Uiso 1 1 calc R . .
H69C H 0.9482 0.0986 0.5359 0.048 Uiso 1 1 calc R . .
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
Co O 1.8095(14) . y
Co P2 2.1436(7) . y
Co P3 2.1936(7) . y
Co P1 2.2645(7) . y
O Si 1.6181(15) . y
P1 C7 1.801(2) . ?
P1 C16 1.833(2) . ?
P1 C10 1.838(2) . ?
P2 C8 1.804(2) . ?
P2 C28 1.823(2) . ?
P2 C22 1.830(2) . ?
P3 C9 1.800(2) . ?
P3 C40 1.828(2) . ?
P3 C34 1.832(2) . ?
Si C54 1.866(2) . ?
Si C46 1.871(2) . ?
Si C62 1.879(2) . ?
B C1 1.635(3) . ?
B C7 1.663(3) . ?
B C8 1.673(3) . ?
B C9 1.675(3) . ?
N1 C49 1.389(3) . ?
N1 C53 1.421(3) . ?
N1 C52 1.435(3) . ?
N2 C57 1.384(3) . ?
N2 C60 1.448(3) . ?
N2 C61 1.451(3) . ?
N3 C65 1.408(3) . ?
N3 C68 1.452(3) . ?
N3 C69 1.464(3) . ?
C4 C3 1.366(3) . ?
C4 C5 1.367(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(3) . ?
C5 H5 0.9500 . ?
C6 C1 1.392(3) . ?
C6 H6 0.9500 . ?
C1 C2 1.390(3) . ?
C2 C3 1.387(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.386(3) . ?
C10 C15 1.390(3) . ?
C11 C12 1.380(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.390(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C21 1.383(3) . ?
C16 C17 1.388(3) . ?
C17 C18 1.382(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.363(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.389(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.385(3) . ?
C22 C23 1.395(3) . ?
C23 C24 1.388(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.379(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.390(3) . ?
C28 C29 1.395(3) . ?
C29 C30 1.384(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.379(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.371(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(3) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C39 1.392(3) . ?
C34 C35 1.395(3) . ?
C35 C36 1.375(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.383(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.374(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(3) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C41 1.377(3) . ?
C40 C45 1.379(3) . ?
C41 C42 1.382(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.376(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.366(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.388(3) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C51 1.390(3) . ?
C46 C47 1.398(3) . ?
C47 C48 1.374(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.390(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.399(3) . ?
C50 C51 1.388(3) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C55 1.395(3) . ?
C54 C59 1.403(3) . ?
C55 C56 1.386(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.402(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.398(3) . ?
C58 C59 1.381(3) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C67 1.393(3) . ?
C62 C63 1.396(3) . ?
C63 C64 1.380(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.399(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.399(3) . ?
C66 C67 1.382(3) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
