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#$Date: 2022-09-15 02:29:21 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277856 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/05/4100569.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.
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data_4100569
loop_
_publ_author_name
'Russell P. Hughes'
'Roman B. Laritchev'
'Jian Yuan'
'James A. Golen'
'Adam N. Rucker'
'Arnold L. Rheingold'
_publ_section_title
;
A Simple Route to Difluorocarbene and Perfluoroalkylidene Complexes of
Iridium
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15020
_journal_page_last               15021
_journal_paper_doi               10.1021/ja055166k
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C15 H24 F4 Ir P'
_chemical_formula_sum            'C15 H24 F4 Ir P'
_chemical_formula_weight         503.51
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.330(2)
_cell_angle_beta                 100.572(2)
_cell_angle_gamma                90.329(2)
_cell_formula_units_Z            8
_cell_length_a                   12.6958(17)
_cell_length_b                   17.033(2)
_cell_length_c                   17.415(2)
_cell_measurement_temperature    100(2)
_cell_volume                     3484.2(8)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.920
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4100569
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
Ir1 Ir 0.11803(3) 0.88393(2) 0.21642(2) 0.02377(10) Uani 1 1 d . . .
Ir2 Ir 0.66504(3) 1.06486(2) 0.26966(2) 0.02342(10) Uani 1 1 d . . .
Ir3 Ir 0.71459(3) 1.58903(2) 0.29518(2) 0.02430(10) Uani 1 1 d . . .
Ir4 Ir 1.25609(3) 1.37570(2) 0.21774(2) 0.02521(10) Uani 1 1 d . . .
P1 P 0.1589(2) 0.82672(19) 0.31667(17) 0.0329(6) Uani 1 1 d . . .
P2 P 0.5338(2) 0.97291(17) 0.17871(17) 0.0283(6) Uani 1 1 d . . .
P3 P 0.7850(2) 1.48952(17) 0.20122(17) 0.0321(6) Uani 1 1 d . . .
P4 P 1.3119(2) 1.41880(18) 0.12168(17) 0.0329(6) Uani 1 1 d . . .
F1 F 0.2648(5) 0.9920(4) 0.3682(4) 0.0468(17) Uani 1 1 d . . .
F2 F 0.2941(5) 1.0961(4) 0.2851(5) 0.066(2) Uani 1 1 d . . .
F3 F 0.1766(5) 1.1238(4) 0.3619(4) 0.059(2) Uani 1 1 d . . .
F4 F 0.1262(5) 1.0787(4) 0.2296(4) 0.0490(17) Uani 1 1 d . . .
F5 F 0.6331(5) 1.0655(4) 0.0974(4) 0.0453(16) Uani 1 1 d . . .
F6 F 0.8155(6) 1.2081(5) 0.2502(4) 0.067(2) Uani 1 1 d . . .
F7 F 0.8166(6) 1.1427(4) 0.1221(5) 0.060(2) Uani 1 1 d . . .
F8 F 0.6927(6) 1.2243(5) 0.1528(6) 0.072(2) Uani 1 1 d . . .
F9 F 0.6866(5) 1.6060(4) 0.1279(4) 0.0419(16) Uani 1 1 d . . .
F10 F 0.5344(5) 1.7165(4) 0.2677(4) 0.0437(16) Uani 1 1 d . . .
F11 F 0.6473(5) 1.7704(4) 0.2181(5) 0.066(2) Uani 1 1 d . . .
F12 F 0.5201(5) 1.6824(4) 0.1359(4) 0.0557(19) Uani 1 1 d . . .
F13 F 1.2188(5) 1.5520(4) 0.2342(4) 0.0446(16) Uani 1 1 d . . .
F14 F 1.2106(6) 1.4821(4) 0.3987(4) 0.0505(18) Uani 1 1 d . . .
F15 F 1.0902(5) 1.5477(4) 0.3433(4) 0.0528(19) Uani 1 1 d . . .
F16 F 1.2511(5) 1.6021(4) 0.3907(4) 0.0468(17) Uani 1 1 d . . .
C1 C 0.0529(7) 0.7672(5) 0.1031(6) 0.023(2) Uani 1 1 d . . .
C2 C -0.0348(7) 0.8138(6) 0.1304(6) 0.025(2) Uani 1 1 d . . .
C3 C -0.0221(7) 0.8955(6) 0.1228(6) 0.026(2) Uani 1 1 d . . .
C4 C 0.0730(7) 0.8985(6) 0.0913(6) 0.024(2) Uani 1 1 d . . .
C5 C 0.1198(8) 0.8198(6) 0.0809(5) 0.025(2) Uani 1 1 d . . .
C6 C 0.0669(9) 0.6774(6) 0.0899(7) 0.040(3) Uani 1 1 d . . .
H6A H 0.0489 0.6455 0.0303 0.060 Uiso 1 1 calc R . .
H6B H 0.0192 0.6571 0.1187 0.060 Uiso 1 1 calc R . .
H6C H 0.1416 0.6703 0.1118 0.060 Uiso 1 1 calc R . .
C7 C -0.1328(8) 0.7824(7) 0.1530(7) 0.037(3) Uani 1 1 d . . .
H7A H -0.1842 0.7515 0.1022 0.055 Uiso 1 1 calc R . .
H7B H -0.1666 0.8299 0.1863 0.055 Uiso 1 1 calc R . .
H7C H -0.1111 0.7455 0.1850 0.055 Uiso 1 1 calc R . .
C8 C -0.1018(8) 0.9596(6) 0.1356(6) 0.033(2) Uani 1 1 d . . .
H8A H -0.0653 1.0148 0.1498 0.049 Uiso 1 1 calc R . .
H8B H -0.1368 0.9582 0.1809 0.049 Uiso 1 1 calc R . .
H8C H -0.1559 0.9480 0.0845 0.049 Uiso 1 1 calc R . .
C9 C 0.1101(7) 0.9639(6) 0.0623(6) 0.032(2) Uani 1 1 d . . .
H9A H 0.0633 1.0102 0.0740 0.047 Uiso 1 1 calc R . .
H9B H 0.1077 0.9408 0.0024 0.047 Uiso 1 1 calc R . .
H9C H 0.1840 0.9842 0.0912 0.047 Uiso 1 1 calc R . .
C10 C 0.2152(7) 0.7922(6) 0.0420(6) 0.031(2) Uani 1 1 d . . .
H10A H 0.2566 0.7576 0.0700 0.047 Uiso 1 1 calc R . .
H10B H 0.2607 0.8412 0.0475 0.047 Uiso 1 1 calc R . .
H10C H 0.1909 0.7597 -0.0169 0.047 Uiso 1 1 calc R . .
C11 C 0.1894(8) 0.9826(6) 0.2906(7) 0.036(3) Uani 1 1 d . . .
C12 C 0.1972(10) 1.0677(7) 0.2909(7) 0.049(3) Uani 1 1 d . . .
C13 C 0.0897(10) 0.7276(7) 0.2974(7) 0.051(3) Uani 1 1 d . . .
H13A H 0.1173 0.7064 0.3425 0.077 Uiso 1 1 calc R . .
H13B H 0.1015 0.6880 0.2447 0.077 Uiso 1 1 calc R . .
H13C H 0.0126 0.7344 0.2944 0.077 Uiso 1 1 calc R . .
C14 C 0.1272(10) 0.8841(8) 0.4166(7) 0.053(4) Uani 1 1 d . . .
H14A H 0.0492 0.8872 0.4108 0.080 Uiso 1 1 calc R . .
H14B H 0.1621 0.9406 0.4368 0.080 Uiso 1 1 calc R . .
H14C H 0.1531 0.8555 0.4561 0.080 Uiso 1 1 calc R . .
C15 C 0.2981(8) 0.8046(8) 0.3419(8) 0.049(3) Uani 1 1 d . . .
H15A H 0.3106 0.7931 0.3942 0.073 Uiso 1 1 calc R . .
H15B H 0.3450 0.8529 0.3476 0.073 Uiso 1 1 calc R . .
H15C H 0.3137 0.7558 0.2974 0.073 Uiso 1 1 calc R . .
C16 C 0.6598(8) 1.0362(7) 0.3899(6) 0.034(3) Uani 1 1 d . . .
C17 C 0.6404(10) 1.1214(8) 0.4023(6) 0.045(3) Uani 1 1 d . . .
C18 C 0.7336(11) 1.1617(6) 0.3932(7) 0.044(3) Uani 1 1 d . . .
C19 C 0.8094(8) 1.1014(7) 0.3721(6) 0.029(2) Uani 1 1 d . . .
C20 C 0.7639(8) 1.0234(6) 0.3698(6) 0.027(2) Uani 1 1 d . . .
C21 C 0.5936(10) 0.9750(10) 0.4083(8) 0.070(4) Uani 1 1 d . . .
H21A H 0.5986 0.9189 0.3697 0.105 Uiso 1 1 calc R . .
H21B H 0.5185 0.9892 0.4019 0.105 Uiso 1 1 calc R . .
H21C H 0.6198 0.9766 0.4654 0.105 Uiso 1 1 calc R . .
C22 C 0.5398(12) 1.1615(10) 0.4280(8) 0.086(6) Uani 1 1 d . . .
H22A H 0.5425 1.1699 0.4868 0.130 Uiso 1 1 calc R . .
H22B H 0.4762 1.1249 0.3945 0.130 Uiso 1 1 calc R . .
H22C H 0.5358 1.2154 0.4192 0.130 Uiso 1 1 calc R . .
C23 C 0.7519(16) 1.2527(8) 0.4130(8) 0.101(7) Uani 1 1 d . . .
H23A H 0.7458 1.2817 0.4707 0.152 Uiso 1 1 calc R . .
H23B H 0.6980 1.2714 0.3760 0.152 Uiso 1 1 calc R . .
H23C H 0.8239 1.2654 0.4054 0.152 Uiso 1 1 calc R . .
C24 C 0.9236(9) 1.1151(8) 0.3667(7) 0.054(4) Uani 1 1 d . . .
H24A H 0.9338 1.1687 0.3585 0.081 Uiso 1 1 calc R . .
H24B H 0.9412 1.0700 0.3198 0.081 Uiso 1 1 calc R . .
H24C H 0.9708 1.1157 0.4182 0.081 Uiso 1 1 calc R . .
C25 C 0.8207(10) 0.9444(7) 0.3601(7) 0.049(3) Uani 1 1 d . . .
H25A H 0.8538 0.9428 0.4150 0.073 Uiso 1 1 calc R . .
H25B H 0.8765 0.9428 0.3276 0.073 Uiso 1 1 calc R . .
H25C H 0.7689 0.8961 0.3314 0.073 Uiso 1 1 calc R . .
C26 C 0.6854(8) 1.1015(7) 0.1853(7) 0.034(3) Uani 1 1 d . . .
C27 C 0.7517(9) 1.1679(7) 0.1782(7) 0.041(3) Uani 1 1 d . . .
C28 C 0.4252(8) 1.0152(7) 0.1221(7) 0.041(3) Uani 1 1 d . . .
H28A H 0.3741 0.9695 0.0842 0.061 Uiso 1 1 calc R . .
H28B H 0.4555 1.0443 0.0902 0.061 Uiso 1 1 calc R . .
H28C H 0.3881 1.0544 0.1616 0.061 Uiso 1 1 calc R . .
C29 C 0.4565(9) 0.9126(8) 0.2203(8) 0.054(3) Uani 1 1 d . . .
H29A H 0.4013 0.8760 0.1756 0.081 Uiso 1 1 calc R . .
H29B H 0.4221 0.9505 0.2628 0.081 Uiso 1 1 calc R . .
H29C H 0.5043 0.8788 0.2451 0.081 Uiso 1 1 calc R . .
C30 C 0.5746(9) 0.8920(7) 0.0937(7) 0.043(3) Uani 1 1 d . . .
H30A H 0.6278 0.8597 0.1160 0.065 Uiso 1 1 calc R . .
H30B H 0.6062 0.9177 0.0597 0.065 Uiso 1 1 calc R . .
H30C H 0.5118 0.8550 0.0595 0.065 Uiso 1 1 calc R . .
C31 C 0.6770(7) 1.5419(6) 0.3957(6) 0.027(2) Uani 1 1 d . . .
C32 C 0.7900(7) 1.5686(6) 0.4171(6) 0.027(2) Uani 1 1 d . . .
C33 C 0.8003(8) 1.6520(6) 0.4252(6) 0.030(2) Uani 1 1 d . . .
C34 C 0.6969(8) 1.6832(6) 0.4159(6) 0.030(2) Uani 1 1 d . . .
C35 C 0.6197(8) 1.6138(6) 0.3971(6) 0.025(2) Uani 1 1 d . . .
C36 C 0.6298(10) 1.4592(7) 0.3863(7) 0.044(3) Uani 1 1 d . . .
H36A H 0.6140 1.4598 0.4395 0.067 Uiso 1 1 calc R . .
H36B H 0.6807 1.4170 0.3688 0.067 Uiso 1 1 calc R . .
H36C H 0.5632 1.4458 0.3444 0.067 Uiso 1 1 calc R . .
C37 C 0.8806(9) 1.5154(8) 0.4339(7) 0.047(3) Uani 1 1 d . . .
H37A H 0.9432 1.5300 0.4144 0.071 Uiso 1 1 calc R . .
H37B H 0.8574 1.4564 0.4045 0.071 Uiso 1 1 calc R . .
H37C H 0.8999 1.5254 0.4936 0.071 Uiso 1 1 calc R . .
C38 C 0.9043(9) 1.7074(8) 0.4528(7) 0.052(3) Uani 1 1 d . . .
H38A H 0.9201 1.7322 0.5135 0.078 Uiso 1 1 calc R . .
H38B H 0.8965 1.7518 0.4284 0.078 Uiso 1 1 calc R . .
H38C H 0.9632 1.6739 0.4344 0.078 Uiso 1 1 calc R . .
C39 C 0.6730(9) 1.7718(7) 0.4357(7) 0.043(3) Uani 1 1 d . . .
H39A H 0.6948 1.8008 0.4956 0.065 Uiso 1 1 calc R . .
H39B H 0.5958 1.7754 0.4184 0.065 Uiso 1 1 calc R . .
H39C H 0.7127 1.7978 0.4060 0.065 Uiso 1 1 calc R . .
C40 C 0.5014(8) 1.6157(7) 0.3909(6) 0.035(3) Uani 1 1 d . . .
H40A H 0.4668 1.5605 0.3564 0.052 Uiso 1 1 calc R . .
H40B H 0.4747 1.6572 0.3657 0.052 Uiso 1 1 calc R . .
H40C H 0.4846 1.6305 0.4465 0.052 Uiso 1 1 calc R . .
C41 C 0.6632(8) 1.6318(6) 0.2115(6) 0.033(2) Uani 1 1 d . . .
C42 C 0.5934(9) 1.6998(7) 0.2088(7) 0.039(3) Uani 1 1 d . . .
C43 C 0.8483(10) 1.4085(7) 0.2351(7) 0.050(3) Uani 1 1 d . . .
H43A H 0.8771 1.3697 0.1896 0.075 Uiso 1 1 calc R . .
H43B H 0.7951 1.3783 0.2512 0.075 Uiso 1 1 calc R . .
H43C H 0.9069 1.4337 0.2827 0.075 Uiso 1 1 calc R . .
C44 C 0.6902(9) 1.4256(7) 0.1091(7) 0.051(3) Uani 1 1 d . . .
H44A H 0.7296 1.3888 0.0696 0.077 Uiso 1 1 calc R . .
H44B H 0.6488 1.4618 0.0831 0.077 Uiso 1 1 calc R . .
H44C H 0.6411 1.3918 0.1249 0.077 Uiso 1 1 calc R . .
C45 C 0.8931(8) 1.5223(7) 0.1607(7) 0.043(3) Uani 1 1 d . . .
H45A H 0.9539 1.5480 0.2064 0.064 Uiso 1 1 calc R . .
H45B H 0.8677 1.5628 0.1338 0.064 Uiso 1 1 calc R . .
H45C H 0.9159 1.4736 0.1201 0.064 Uiso 1 1 calc R . .
C46 C 1.2587(8) 1.2341(6) 0.1584(6) 0.030(2) Uani 1 1 d . . .
C47 C 1.1618(8) 1.2551(6) 0.1878(7) 0.031(2) Uani 1 1 d . . .
C48 C 1.1868(8) 1.2935(6) 0.2747(6) 0.030(2) Uani 1 1 d . . .
C49 C 1.2992(8) 1.2995(6) 0.3010(6) 0.031(2) Uani 1 1 d . . .
C50 C 1.3466(7) 1.2642(6) 0.2298(6) 0.024(2) Uani 1 1 d . . .
C51 C 1.2674(8) 1.1814(6) 0.0731(6) 0.034(3) Uani 1 1 d . . .
H51A H 1.2497 1.1228 0.0652 0.051 Uiso 1 1 calc R . .
H51B H 1.3410 1.1880 0.0652 0.051 Uiso 1 1 calc R . .
H51C H 1.2174 1.1987 0.0327 0.051 Uiso 1 1 calc R . .
C52 C 1.0515(8) 1.2280(7) 0.1353(7) 0.036(3) Uani 1 1 d . . .
H52A H 1.0343 1.1693 0.1271 0.055 Uiso 1 1 calc R . .
H52B H 1.0494 1.2349 0.0814 0.055 Uiso 1 1 calc R . .
H52C H 0.9988 1.2623 0.1632 0.055 Uiso 1 1 calc R . .
C53 C 1.1026(9) 1.3097(7) 0.3285(7) 0.044(3) Uani 1 1 d . . .
H53A H 1.0522 1.3477 0.3129 0.066 Uiso 1 1 calc R . .
H53B H 1.1377 1.3350 0.3869 0.066 Uiso 1 1 calc R . .
H53C H 1.0635 1.2569 0.3205 0.066 Uiso 1 1 calc R . .
C54 C 1.3606(9) 1.3303(7) 0.3902(6) 0.039(3) Uani 1 1 d . . .
H54A H 1.3203 1.3718 0.4247 0.058 Uiso 1 1 calc R . .
H54B H 1.4312 1.3557 0.3926 0.058 Uiso 1 1 calc R . .
H54C H 1.3701 1.2832 0.4107 0.058 Uiso 1 1 calc R . .
C55 C 1.4628(8) 1.2502(7) 0.2306(7) 0.037(3) Uani 1 1 d . . .
H55A H 1.5064 1.3018 0.2648 0.056 Uiso 1 1 calc R . .
H55B H 1.4756 1.2338 0.1738 0.056 Uiso 1 1 calc R . .
H55C H 1.4826 1.2059 0.2536 0.056 Uiso 1 1 calc R . .
C56 C 1.2237(9) 1.4836(7) 0.2683(7) 0.043(3) Uani 1 1 d . . .
C57 C 1.1950(9) 1.5280(7) 0.3497(7) 0.044(3) Uani 1 1 d . . .
C58 C 1.4107(9) 1.5076(7) 0.1566(7) 0.046(3) Uani 1 1 d . . .
H58A H 1.4759 1.4953 0.1892 0.069 Uiso 1 1 calc R . .
H58B H 1.3810 1.5570 0.1910 0.069 Uiso 1 1 calc R . .
H58C H 1.4283 1.5183 0.1083 0.069 Uiso 1 1 calc R . .
C59 C 1.2077(9) 1.4442(7) 0.0495(7) 0.044(3) Uani 1 1 d . . .
H59A H 1.2405 1.4688 0.0153 0.066 Uiso 1 1 calc R . .
H59B H 1.1623 1.4841 0.0804 0.066 Uiso 1 1 calc R . .
H59C H 1.1637 1.3933 0.0138 0.066 Uiso 1 1 calc R . .
C60 C 1.3836(8) 1.3448(7) 0.0526(7) 0.039(3) Uani 1 1 d . . .
H60A H 1.3335 1.2985 0.0145 0.059 Uiso 1 1 calc R . .
H60B H 1.4400 1.3233 0.0852 0.059 Uiso 1 1 calc R . .
H60C H 1.4161 1.3726 0.0206 0.059 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
Ir1 C11 1.853(10) . ?
Ir1 C3 2.239(9) . ?
Ir1 C4 2.246(9) . ?
Ir1 P1 2.251(3) . ?
Ir1 C5 2.253(8) . ?
Ir1 C2 2.271(9) . ?
Ir1 C1 2.306(9) . ?
Ir2 C26 1.832(10) . ?
Ir2 C19 2.232(9) . ?
Ir2 C18 2.248(10) . ?
Ir2 P2 2.258(3) . ?
Ir2 C20 2.267(9) . ?
Ir2 C17 2.271(10) . ?
Ir2 C16 2.313(10) . ?
Ir3 C41 1.854(10) . ?
Ir3 C33 2.222(9) . ?
Ir3 C34 2.234(9) . ?
Ir3 P3 2.251(3) . ?
Ir3 C35 2.253(9) . ?
Ir3 C31 2.273(9) . ?
Ir3 C32 2.300(9) . ?
Ir4 C56 1.841(11) . ?
Ir4 C48 2.224(10) . ?
Ir4 C47 2.227(10) . ?
Ir4 C49 2.248(11) . ?
Ir4 P4 2.254(3) . ?
Ir4 C50 2.275(9) . ?
Ir4 C46 2.291(9) . ?
P1 C13 1.798(12) . ?
P1 C14 1.811(10) . ?
P1 C15 1.814(10) . ?
P2 C29 1.813(12) . ?
P2 C30 1.816(11) . ?
P2 C28 1.837(10) . ?
P3 C43 1.810(11) . ?
P3 C45 1.816(11) . ?
P3 C44 1.825(11) . ?
P4 C59 1.809(11) . ?
P4 C60 1.810(11) . ?
P4 C58 1.822(11) . ?
F1 C11 1.465(12) . ?
F2 C12 1.352(13) . ?
F3 C12 1.360(12) . ?
F4 C12 1.331(14) . ?
F5 C26 1.471(12) . ?
F6 C27 1.323(13) . ?
F7 C27 1.356(12) . ?
F8 C27 1.359(12) . ?
F9 C41 1.462(11) . ?
F10 C42 1.337(12) . ?
F11 C42 1.327(12) . ?
F12 C42 1.371(12) . ?
F13 C56 1.469(13) . ?
F14 C57 1.327(14) . ?
F15 C57 1.367(12) . ?
F16 C57 1.347(12) . ?
C1 C5 1.420(13) . ?
C1 C2 1.431(12) . ?
C1 C6 1.486(13) . ?
C2 C3 1.452(13) . ?
C2 C7 1.517(13) . ?
C3 C4 1.423(13) . ?
C3 C8 1.483(13) . ?
C4 C5 1.439(13) . ?
C4 C9 1.473(13) . ?
C5 C10 1.498(12) . ?
C11 C12 1.449(16) . ?
C16 C17 1.424(15) . ?
C16 C20 1.428(13) . ?
C16 C21 1.486(15) . ?
C17 C18 1.423(17) . ?
C17 C22 1.522(16) . ?
C18 C19 1.417(15) . ?
C18 C23 1.479(16) . ?
C19 C20 1.431(14) . ?
C19 C24 1.493(14) . ?
C20 C25 1.505(13) . ?
C26 C27 1.458(15) . ?
C31 C35 1.424(13) . ?
C31 C32 1.444(13) . ?
C31 C36 1.475(13) . ?
C32 C33 1.383(14) . ?
C32 C37 1.515(13) . ?
C33 C34 1.421(14) . ?
C33 C38 1.522(13) . ?
C34 C35 1.440(13) . ?
C34 C39 1.479(14) . ?
C35 C40 1.487(13) . ?
C41 C42 1.470(14) . ?
C46 C47 1.421(13) . ?
C46 C50 1.455(13) . ?
C46 C51 1.484(13) . ?
C47 C48 1.408(14) . ?
C47 C52 1.501(13) . ?
C48 C49 1.410(13) . ?
C48 C53 1.515(14) . ?
C49 C50 1.430(13) . ?
C49 C54 1.518(13) . ?
C50 C55 1.493(13) . ?
C56 C57 1.482(15) . ?
