#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/10/4061094.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_4061094
loop_
_publ_author_name
'Choukroun, Robert'
'Lorber, Christian'
'Vendier, Laure'
'Donnadieu, Bruno'
_publ_section_title
;
Mono and Homobimetallic Vanadium Complexes: Borane Adducts of
Vanada(IV)azirine Complexes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              5488
_journal_page_last               5492
_journal_paper_doi               10.1021/om049488t
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         'C69 H36 B2 F30 N2 V2'
_chemical_formula_sum            'C69 H36 B2 F30 N2 V2'
_chemical_formula_weight         1586.5
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 97.893(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.170(5)
_cell_length_b                   17.885(5)
_cell_length_c                   34.917(5)
_cell_measurement_temperature    180
_cell_measurement_wavelength     0.71073
_cell_volume                     6291(4)
_diffrn_ambient_temperature      180
_exptl_crystal_density_diffrn    1.675
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4061094
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
V1 V 0.62838(8) 0.10714(5) 0.31875(3) 0.0526(2) Uani 1 1 d . . .
V2 V 0.62115(9) -0.30307(5) 0.40080(3) 0.0588(2) Uani 1 1 d . . .
B1 B 0.2839(5) 0.1018(3) 0.32846(16) 0.0490(13) Uani 1 1 d . . .
B2 B 0.9765(6) -0.2857(3) 0.41602(17) 0.0527(14) Uani 1 1 d . . .
N1 N 0.4396(4) 0.0907(2) 0.33515(11) 0.0468(9) Uani 1 1 d . . .
N2 N 0.8213(4) -0.2702(2) 0.41364(11) 0.0512(10) Uani 1 1 d . . .
F11 F 0.1083(3) 0.21816(18) 0.36157(10) 0.0720(9) Uani 1 1 d . . .
F12 F 0.0760(4) 0.35719(19) 0.33928(11) 0.0889(11) Uani 1 1 d . . .
F13 F 0.1904(5) 0.41099(18) 0.27867(11) 0.0995(12) Uani 1 1 d . . .
F14 F 0.3460(4) 0.31822(19) 0.24203(10) 0.0907(11) Uani 1 1 d . . .
F15 F 0.3777(3) 0.17659(17) 0.26331(8) 0.0672(8) Uani 1 1 d . . .
F21 F 0.0586(3) 0.00032(18) 0.34651(9) 0.0688(8) Uani 1 1 d . . .
F22 F -0.0100(3) -0.02208(19) 0.41610(10) 0.0811(10) Uani 1 1 d . . .
F23 F 0.1198(4) 0.04724(19) 0.47928(9) 0.0797(10) Uani 1 1 d . . .
F24 F 0.3204(3) 0.1442(2) 0.47070(9) 0.0796(10) Uani 1 1 d . . .
F25 F 0.3864(3) 0.17054(16) 0.40138(8) 0.0624(7) Uani 1 1 d . . .
F31 F 0.3353(3) -0.05862(15) 0.33307(8) 0.0578(7) Uani 1 1 d . . .
F32 F 0.3025(3) -0.15685(16) 0.27600(9) 0.0723(8) Uani 1 1 d . . .
F33 F 0.1694(4) -0.11844(18) 0.20578(9) 0.0839(10) Uani 1 1 d . . .
F34 F 0.0681(4) 0.02276(19) 0.19491(9) 0.0856(10) Uani 1 1 d . . .
F35 F 0.1041(3) 0.12279(16) 0.25059(9) 0.0705(8) Uani 1 1 d . . .
F41 F 0.9103(3) -0.15299(16) 0.36833(8) 0.0653(8) Uani 1 1 d . . .
F42 F 0.9435(3) -0.13237(18) 0.29519(9) 0.0729(9) Uani 1 1 d . . .
F43 F 1.0638(3) -0.2384(2) 0.25626(8) 0.0789(10) Uani 1 1 d . . .
F44 F 1.1616(3) -0.3637(2) 0.29464(9) 0.0814(10) Uani 1 1 d . . .
F45 F 1.1329(3) -0.38589(18) 0.36735(9) 0.0700(8) Uani 1 1 d . . .
F51 F 0.8425(3) -0.41730(17) 0.38042(11) 0.0797(9) Uani 1 1 d . . .
F52 F 0.8787(5) -0.5586(2) 0.40115(15) 0.1163(15) Uani 1 1 d . . .
F53 F 1.0682(5) -0.5974(2) 0.46086(16) 0.1293(17) Uani 1 1 d . . .
F54 F 1.2202(5) -0.4876(2) 0.49929(13) 0.1178(15) Uani 1 1 d . . .
F55 F 1.1861(4) -0.3474(2) 0.47968(10) 0.0846(10) Uani 1 1 d . . .
F61 F 0.9285(3) -0.26796(17) 0.49489(8) 0.0648(8) Uani 1 1 d . . .
F62 F 1.0545(4) -0.1798(2) 0.54919(9) 0.0855(10) Uani 1 1 d . . .
F63 F 1.2559(4) -0.0897(2) 0.53308(11) 0.1043(13) Uani 1 1 d . . .
F64 F 1.3274(4) -0.0907(2) 0.46102(11) 0.0905(11) Uani 1 1 d . . .
F65 F 1.2051(3) -0.17762(19) 0.40636(9) 0.0718(8) Uani 1 1 d . . .
C1 C 0.5256(5) 0.0577(3) 0.35779(14) 0.0499(11) Uani 1 1 d . . .
C2 C 0.5299(5) 0.0113(3) 0.39372(13) 0.0478(11) Uani 1 1 d . . .
H2A H 0.446 -0.0146 0.3933 0.057 Uiso 1 1 calc R . .
H2B H 0.5411 0.044 0.4161 0.057 Uiso 1 1 calc R . .
C3 C 0.6414(5) -0.0456(3) 0.39775(15) 0.0573(13) Uani 1 1 d . . .
H3A H 0.6286 -0.0793 0.3758 0.069 Uiso 1 1 calc R . .
H3B H 0.7251 -0.0198 0.3973 0.069 Uiso 1 1 calc R . .
C4 C 0.6484(5) -0.0905(3) 0.43456(15) 0.0584(13) Uani 1 1 d . . .
H4A H 0.5668 -0.1189 0.4341 0.07 Uiso 1 1 calc R . .
H4B H 0.6544 -0.0565 0.4564 0.07 Uiso 1 1 calc R . .
C5 C 0.7657(5) -0.1443(3) 0.44058(14) 0.0506(12) Uani 1 1 d . . .
H5A H 0.8408 -0.1201 0.4314 0.061 Uiso 1 1 calc R . .
H5B H 0.789 -0.1524 0.4681 0.061 Uiso 1 1 calc R . .
C6 C 0.7461(5) -0.2185(3) 0.42145(14) 0.0509(12) Uani 1 1 d . . .
C11 C 0.6856(6) 0.1793(3) 0.37196(17) 0.0680(15) Uani 1 1 d . . .
H11 H 0.6715 0.1625 0.3963 0.082 Uiso 1 1 calc R . .
C12 C 0.5965(6) 0.2211(3) 0.34633(18) 0.0666(15) Uani 1 1 d . . .
H12 H 0.5135 0.2375 0.3511 0.08 Uiso 1 1 calc R . .
C13 C 0.6516(7) 0.2341(3) 0.31277(19) 0.0758(17) Uani 1 1 d . . .
H13 H 0.612 0.2597 0.291 0.091 Uiso 1 1 calc R . .
C14 C 0.7789(7) 0.2015(4) 0.3179(2) 0.0830(19) Uani 1 1 d . . .
H14 H 0.839 0.2024 0.3001 0.1 Uiso 1 1 calc R . .
C15 C 0.7996(6) 0.1673(4) 0.35449(19) 0.0751(16) Uani 1 1 d . . .
H15 H 0.8753 0.1414 0.3651 0.09 Uiso 1 1 calc R . .
C21 C 0.6063(5) -0.0138(3) 0.29545(15) 0.0589(13) Uani 1 1 d . . .
H21 H 0.5615 -0.0504 0.3074 0.071 Uiso 1 1 calc R . .
C22 C 0.5486(6) 0.0349(3) 0.26633(15) 0.0613(14) Uani 1 1 d . . .
H22 H 0.4594 0.0362 0.2559 0.074 Uiso 1 1 calc R . .
C23 C 0.6484(6) 0.0809(4) 0.25580(16) 0.0683(15) Uani 1 1 d . . .
H23 H 0.6377 0.1185 0.2372 0.082 Uiso 1 1 calc R . .
C24 C 0.7694(6) 0.0601(4) 0.27866(17) 0.0739(16) Uani 1 1 d . . .
H24 H 0.8522 0.0812 0.2774 0.089 Uiso 1 1 calc R . .
C25 C 0.7422(6) 0.0018(3) 0.30357(17) 0.0678(15) Uani 1 1 d . . .
H25 H 0.8031 -0.0219 0.3219 0.081 Uiso 1 1 calc R . .
C31 C 0.6165(8) -0.2317(4) 0.34537(17) 0.0779(17) Uani 1 1 d . . .
H31 H 0.6646 -0.1875 0.345 0.093 Uiso 1 1 calc R . .
C32 C 0.4887(8) -0.2371(5) 0.3539(2) 0.097(2) Uani 1 1 d . . .
H32 H 0.4359 -0.1981 0.3606 0.117 Uiso 1 1 calc R . .
C33 C 0.4529(8) -0.3141(6) 0.3503(2) 0.105(3) Uani 1 1 d . . .
H33 H 0.3712 -0.3347 0.3535 0.126 Uiso 1 1 calc R . .
C34 C 0.5648(8) -0.3533(4) 0.34085(18) 0.088(2) Uani 1 1 d . . .
H34 H 0.5706 -0.4047 0.3376 0.105 Uiso 1 1 calc R . .
C35 C 0.6630(7) -0.3027(4) 0.33730(15) 0.0718(16) Uani 1 1 d . . .
H35 H 0.7463 -0.3137 0.3307 0.086 Uiso 1 1 calc R . .
C41 C 0.5992(6) -0.3003(3) 0.46482(17) 0.0680(15) Uani 1 1 d . . .
H41 H 0.6279 -0.2588 0.4797 0.082 Uiso 1 1 calc R . .
C42 C 0.4734(6) -0.3102(4) 0.4440(2) 0.0817(18) Uani 1 1 d . . .
H42 H 0.403 -0.2767 0.4425 0.098 Uiso 1 1 calc R . .
C43 C 0.4721(7) -0.3798(4) 0.4257(2) 0.092(2) Uani 1 1 d . . .
H43 H 0.3999 -0.4009 0.4102 0.111 Uiso 1 1 calc R . .
C44 C 0.5970(7) -0.4123(3) 0.43453(19) 0.0799(18) Uani 1 1 d . . .
H44 H 0.6239 -0.458 0.4255 0.096 Uiso 1 1 calc R . .
C45 C 0.6742(6) -0.3636(3) 0.45934(17) 0.0685(15) Uani 1 1 d . . .
H45 H 0.7614 -0.372 0.4704 0.082 Uiso 1 1 calc R . .
C101 C 0.2514(5) 0.1883(3) 0.31474(14) 0.0496(11) Uani 1 1 d . . .
C102 C 0.3053(5) 0.2199(3) 0.28426(15) 0.0552(13) Uani 1 1 d . . .
C103 C 0.2876(6) 0.2928(3) 0.27195(16) 0.0668(15) Uani 1 1 d . . .
C104 C 0.2108(7) 0.3394(3) 0.29022(18) 0.0728(17) Uani 1 1 d . . .
C105 C 0.1531(6) 0.3128(3) 0.32032(18) 0.0667(15) Uani 1 1 d . . .
C106 C 0.1733(5) 0.2389(3) 0.33168(16) 0.0578(13) Uani 1 1 d . . .
C201 C 0.2320(5) 0.0846(3) 0.36986(13) 0.0468(11) Uani 1 1 d . . .
C202 C 0.2897(5) 0.1195(3) 0.40363(14) 0.0523(12) Uani 1 1 d . . .
C203 C 0.2552(5) 0.1077(3) 0.43958(14) 0.0588(13) Uani 1 1 d . . .
C204 C 0.1554(5) 0.0593(3) 0.44379(15) 0.0581(13) Uani 1 1 d . . .
C205 C 0.0922(5) 0.0239(3) 0.41229(16) 0.0584(13) Uani 1 1 d . . .
C206 C 0.1298(5) 0.0364(3) 0.37633(14) 0.0522(12) Uani 1 1 d . . .
C301 C 0.2310(5) 0.0404(3) 0.29453(13) 0.0470(11) Uani 1 1 d . . .
C302 C 0.2709(5) -0.0341(3) 0.29838(14) 0.0510(12) Uani 1 1 d . . .
C303 C 0.2535(5) -0.0867(3) 0.26962(16) 0.0561(13) Uani 1 1 d . . .
C304 C 0.1861(6) -0.0682(3) 0.23440(15) 0.0605(14) Uani 1 1 d . . .
C305 C 0.1369(6) 0.0030(3) 0.22895(15) 0.0607(13) Uani 1 1 d . . .
C306 C 0.1587(5) 0.0541(3) 0.25888(15) 0.0552(12) Uani 1 1 d . . .
C401 C 1.0104(5) -0.2730(3) 0.37190(14) 0.0514(12) Uani 1 1 d . . .
C402 C 0.9696(5) -0.2094(3) 0.35090(13) 0.0519(12) Uani 1 1 d . . .
C403 C 0.9860(5) -0.1963(3) 0.31329(15) 0.0580(13) Uani 1 1 d . . .
C404 C 1.0493(5) -0.2487(3) 0.29411(14) 0.0598(14) Uani 1 1 d . . .
C405 C 1.0965(5) -0.3115(3) 0.31299(15) 0.0611(14) Uani 1 1 d . . .
C406 C 1.0776(5) -0.3221(3) 0.35076(14) 0.0552(12) Uani 1 1 d . . .
C501 C 1.0045(5) -0.3724(3) 0.43008(15) 0.0574(13) Uani 1 1 d . . .
C502 C 0.9341(6) -0.4313(3) 0.41190(18) 0.0680(15) Uani 1 1 d . . .
C503 C 0.9532(7) -0.5059(3) 0.4213(2) 0.0823(19) Uani 1 1 d . . .
C504 C 1.0482(8) -0.5243(4) 0.4510(2) 0.088(2) Uani 1 1 d . . .
C505 C 1.1239(8) -0.4697(4) 0.4702(2) 0.086(2) Uani 1 1 d . . .
C506 C 1.1012(6) -0.3970(3) 0.45950(18) 0.0684(15) Uani 1 1 d . . .
C601 C 1.0560(5) -0.2272(3) 0.44706(14) 0.0533(12) Uani 1 1 d . . .
C602 C 1.0255(5) -0.2227(3) 0.48501(15) 0.0568(13) Uani 1 1 d . . .
C603 C 1.0896(6) -0.1783(3) 0.51343(15) 0.0664(15) Uani 1 1 d . . .
C604 C 1.1918(7) -0.1344(4) 0.50547(18) 0.0761(17) Uani 1 1 d . . .
C605 C 1.2269(6) -0.1342(3) 0.46919(17) 0.0677(15) Uani 1 1 d . . .
C606 C 1.1601(5) -0.1806(3) 0.44125(15) 0.0594(13) Uani 1 1 d . . .
C1A C 0.5076(19) 0.3823(13) 0.4089(8) 0.131(6) Uani 0.65 1 d PDU A 1
C2A C 0.557(2) 0.3979(15) 0.3755(7) 0.128(7) Uani 0.65 1 d PDU A 1
H2A1 H 0.6372 0.3746 0.3732 0.154 Uiso 0.65 1 calc PR A 1
C3A C 0.508(3) 0.4424(17) 0.3444(7) 0.150(9) Uani 0.65 1 d PDU A 1
H3A1 H 0.5531 0.457 0.3243 0.18 Uiso 0.65 1 calc PR A 1
C4A C 0.374(3) 0.4620(14) 0.3491(8) 0.150(9) Uani 0.65 1 d PDU A 1
H4A1 H 0.3192 0.4834 0.3284 0.18 Uiso 0.65 1 calc PR A 1
C5A C 0.323(2) 0.4500(13) 0.3837(8) 0.153(8) Uani 0.65 1 d PDU A 1
H5A1 H 0.2419 0.4719 0.3864 0.183 Uiso 0.65 1 calc PR A 1
C6A C 0.383(2) 0.4089(13) 0.4136(7) 0.147(7) Uani 0.65 1 d PDU A 1
H6A H 0.3431 0.3992 0.4356 0.176 Uiso 0.65 1 calc PR A 1
C7A C 0.584(2) 0.3365(11) 0.4399(6) 0.187(9) Uani 0.65 1 d PDU A 1
H7A1 H 0.6749 0.3525 0.4437 0.281 Uiso 0.65 1 calc PR A 1
H7A2 H 0.5795 0.2848 0.4325 0.281 Uiso 0.65 1 calc PR A 1
H7A3 H 0.5466 0.3426 0.4635 0.281 Uiso 0.65 1 calc PR A 1
C1B C 0.457(5) 0.388(2) 0.4110(7) 0.22(2) Uani 0.35 1 d PDU B 2
C2B C 0.571(4) 0.389(3) 0.3944(12) 0.165(14) Uani 0.35 1 d PDU B 2
H2B1 H 0.6446 0.3663 0.4086 0.198 Uiso 0.35 1 calc PR B 2
C3B C 0.590(3) 0.419(2) 0.3589(12) 0.147(13) Uani 0.35 1 d PDU B 2
H3B1 H 0.6707 0.4266 0.3497 0.176 Uiso 0.35 1 calc PR B 2
C4B C 0.460(4) 0.437(2) 0.3392(8) 0.104(9) Uani 0.35 1 d PDU B 2
H4B1 H 0.4464 0.4367 0.3123 0.124 Uiso 0.35 1 calc PR B 2
C5B C 0.355(4) 0.455(3) 0.3591(11) 0.165(18) Uani 0.35 1 d PDU B 2
H5B1 H 0.2846 0.4831 0.3466 0.198 Uiso 0.35 1 calc PR B 2
C6B C 0.352(4) 0.434(3) 0.3962(13) 0.180(19) Uani 0.35 1 d PDU B 2
H6B H 0.2852 0.4483 0.4104 0.217 Uiso 0.35 1 calc PR B 2
C7B C 0.460(7) 0.366(3) 0.4455(14) 0.36(4) Uani 0.35 1 d PDU B 2
H7B1 H 0.3992 0.3253 0.4464 0.539 Uiso 0.35 1 calc PR B 2
H7B2 H 0.4358 0.4064 0.4612 0.539 Uiso 0.35 1 calc PR B 2
H7B3 H 0.5485 0.3495 0.4552 0.539 Uiso 0.35 1 calc PR B 2
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
V1 C1 2.031(5) . ?
V1 N1 2.098(4) . ?
V1 C15 2.269(6) . ?
V1 C11 2.271(6) . ?
V1 C14 2.281(6) . ?
V1 C23 2.284(5) . ?
V1 C12 2.296(6) . ?
V1 C13 2.296(6) . ?
V1 C22 2.296(5) . ?
V1 C24 2.297(6) . ?
V1 C21 2.310(5) . ?
V1 C25 2.311(6) . ?
V2 C6 2.042(5) . ?
V2 N2 2.107(4) . ?
V2 C42 2.274(6) . ?
V2 C41 2.277(6) . ?
V2 C34 2.278(6) . ?
V2 C33 2.291(6) . ?
V2 C32 2.300(6) . ?
V2 C43 2.302(6) . ?
V2 C45 2.310(6) . ?
V2 C44 2.312(6) . ?
V2 C31 2.314(6) . ?
V2 C35 2.315(5) . ?
B1 N1 1.581(7) . ?
B1 C201 1.635(7) . ?
B1 C101 1.641(7) . ?
B1 C301 1.650(7) . ?
B2 N2 1.594(7) . ?
B2 C601 1.637(8) . ?
B2 C501 1.640(8) . ?
B2 C401 1.640(7) . ?
N1 C1 1.244(6) . ?
N2 C6 1.253(6) . ?
F11 C106 1.361(6) . ?
F12 C105 1.352(6) . ?
F13 C104 1.350(6) . ?
F14 C103 1.349(6) . ?
F15 C102 1.352(6) . ?
F21 C206 1.348(6) . ?
F22 C205 1.346(6) . ?
F23 C204 1.355(6) . ?
F24 C203 1.360(6) . ?
F25 C202 1.352(5) . ?
F31 C302 1.368(5) . ?
F32 C303 1.357(6) . ?
F33 C304 1.338(6) . ?
F34 C305 1.341(6) . ?
F35 C306 1.363(6) . ?
F41 C402 1.362(5) . ?
F42 C403 1.349(6) . ?
F43 C404 1.362(6) . ?
F44 C405 1.356(6) . ?
F45 C406 1.364(6) . ?
F51 C502 1.363(7) . ?
F52 C503 1.345(8) . ?
F53 C504 1.360(7) . ?
F54 C505 1.350(8) . ?
F55 C506 1.364(7) . ?
F61 C602 1.357(6) . ?
F62 C603 1.345(6) . ?
F63 C604 1.350(7) . ?
F64 C605 1.346(7) . ?
F65 C606 1.360(6) . ?
C1 C2 1.500(7) . ?
C2 C3 1.515(7) . ?
C3 C4 1.510(7) . ?
C4 C5 1.524(7) . ?
C5 C6 1.487(7) . ?
C11 C12 1.399(8) . ?
C11 C15 1.399(8) . ?
C12 C13 1.386(8) . ?
C13 C14 1.409(9) . ?
C14 C15 1.407(9) . ?
C21 C25 1.401(8) . ?
C21 C22 1.404(8) . ?
C22 C23 1.395(8) . ?
C23 C24 1.422(8) . ?
C24 C25 1.409(8) . ?
C31 C32 1.376(10) . ?
C31 C35 1.398(9) . ?
C32 C33 1.427(11) . ?
C33 C34 1.413(11) . ?
C34 C35 1.365(9) . ?
C41 C42 1.394(9) . ?
C41 C45 1.394(8) . ?
C42 C43 1.399(10) . ?
C43 C44 1.392(10) . ?
C44 C45 1.393(9) . ?
C101 C102 1.383(7) . ?
C101 C106 1.389(7) . ?
C102 C103 1.376(7) . ?
C103 C104 1.360(8) . ?
C104 C105 1.358(9) . ?
C105 C106 1.386(8) . ?
C201 C202 1.391(7) . ?
C201 C206 1.393(7) . ?
C202 C203 1.365(7) . ?
C203 C204 1.357(7) . ?
C204 C205 1.353(8) . ?
C205 C206 1.380(7) . ?
C301 C306 1.378(7) . ?
C301 C302 1.394(7) . ?
C302 C303 1.369(7) . ?
C303 C304 1.364(7) . ?
C304 C305 1.371(8) . ?
C305 C306 1.383(7) . ?
C401 C402 1.386(7) . ?
C401 C406 1.386(7) . ?
C402 C403 1.366(7) . ?
C403 C404 1.363(7) . ?
C404 C405 1.356(8) . ?
C405 C406 1.372(7) . ?
C501 C502 1.379(8) . ?
C501 C506 1.392(8) . ?
C502 C503 1.381(8) . ?
C503 C504 1.357(10) . ?
C504 C505 1.362(10) . ?
C505 C506 1.364(8) . ?
C601 C606 1.384(7) . ?
C601 C602 1.404(7) . ?
C602 C603 1.365(8) . ?
C603 C604 1.361(9) . ?
C604 C605 1.362(9) . ?
C605 C606 1.385(8) . ?
C1A C2A 1.36(2) . ?
C1A C6A 1.39(2) . ?
C1A C7A 1.49(3) . ?
C2A C3A 1.38(3) . ?
C3A C4A 1.44(3) . ?
C4A C5A 1.39(3) . ?
C5A C6A 1.35(3) . ?
C1B C7B 1.27(5) . ?
C1B C2B 1.36(3) . ?
C1B C6B 1.39(3) . ?
C2B C3B 1.39(3) . ?
C3B C4B 1.44(3) . ?
C4B C5B 1.39(3) . ?
C5B C6B 1.35(3) . ?
