#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:51:15 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178757 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/11/4101182.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_4101182
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja056694z
_journal_year                    2006
_chemical_formula_moiety         '2(C34 H38 N2 Pt), C H2 Cl2'
_chemical_formula_sum            'C69 H78 Cl2 N4 Pt2'
_chemical_formula_weight         1424.49
_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
_cell_angle_beta                 94.980(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.463(3)
_cell_length_b                   21.110(2)
_cell_length_c                   18.285(4)
_cell_measurement_temperature    105
_cell_volume                     6330.7(20)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.494
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4101182
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Pt1 Pt 0.532577(12) 0.236617(10) 0.417401(8) 0.0291 1.0000 Uani . . . . . .
Pt2 Pt 0.961618(11) 0.261157(10) 0.522022(8) 0.0282 1.0000 Uani . . . . . .
Cl1 Cl 0.2402(3) 0.1326(3) 0.2386(2) 0.1835 1.0000 Uani . . . . . .
Cl2 Cl 0.2109(5) 0.0010(2) 0.2446(2) 0.2401 1.0000 Uani . . . . . .
N1 N 0.5757(3) 0.18694(18) 0.3288(2) 0.0274 1.0000 Uani . . . . . .
N2 N 0.4985(3) 0.2940(2) 0.3261(2) 0.0321 1.0000 Uani . . . . . .
N3 N 1.0018(3) 0.2149(2) 0.4307(2) 0.0318 1.0000 Uani . . . . . .
N4 N 0.9129(3) 0.31577(19) 0.43250(19) 0.0255 1.0000 Uani . . . . . .
C1 C 0.5642(3) 0.2134(2) 0.2648(2) 0.0320 1.0000 Uani . . . . . .
C2 C 0.5190(3) 0.2745(2) 0.2635(3) 0.0325 1.0000 Uani . . . . . .
C3 C 0.4950(4) 0.3067(3) 0.1918(3) 0.0398 1.0000 Uani . . . . . .
C4 C 0.5901(4) 0.1866(3) 0.1952(3) 0.0397 1.0000 Uani . . . . . .
C5 C 0.6095(3) 0.1240(2) 0.3354(2) 0.0302 1.0000 Uani . . . . . .
C6 C 0.6909(4) 0.1160(2) 0.3589(3) 0.0359 1.0000 Uani . . . . . .
C7 C 0.7211(4) 0.0538(3) 0.3669(3) 0.0414 1.0000 Uani . . . . . .
C8 C 0.6703(4) 0.0017(3) 0.3531(3) 0.0435 1.0000 Uani . . . . . .
C9 C 0.5892(4) 0.0125(3) 0.3321(3) 0.0418 1.0000 Uani . . . . . .
C10 C 0.5561(4) 0.0730(2) 0.3225(3) 0.0342 1.0000 Uani . . . . . .
C11 C 0.7464(4) 0.1720(3) 0.3764(3) 0.0438 1.0000 Uani . . . . . .
C12 C 0.7027(5) -0.0650(3) 0.3603(3) 0.0608 1.0000 Uani . . . . . .
C13 C 0.4678(4) 0.0829(3) 0.3003(3) 0.0450 1.0000 Uani . . . . . .
C14 C 0.4517(4) 0.3512(3) 0.3303(2) 0.0374 1.0000 Uani . . . . . .
C15 C 0.4922(5) 0.4097(3) 0.3326(3) 0.0472 1.0000 Uani . . . . . .
C16 C 0.4445(5) 0.4638(3) 0.3401(3) 0.0589 1.0000 Uani . . . . . .
C17 C 0.3616(6) 0.4595(4) 0.3457(3) 0.0674 1.0000 Uani . . . . . .
C18 C 0.3238(5) 0.4004(4) 0.3430(3) 0.0647 1.0000 Uani . . . . . .
C19 C 0.3682(4) 0.3451(3) 0.3347(3) 0.0467 1.0000 Uani . . . . . .
C20 C 0.5823(5) 0.4157(3) 0.3251(4) 0.0549 1.0000 Uani . . . . . .
C21 C 0.3102(7) 0.5194(4) 0.3501(4) 0.1066 1.0000 Uani . . . . . .
C22 C 0.3290(4) 0.2812(4) 0.3283(4) 0.0586 1.0000 Uani . . . . . .
C25 C 0.5707(4) 0.1758(2) 0.4980(3) 0.0329 1.0000 Uani . . . . . .
C26 C 0.6394(4) 0.1870(3) 0.5458(3) 0.0412 1.0000 Uani . . . . . .
C27 C 0.6677(5) 0.1427(4) 0.5986(3) 0.0585 1.0000 Uani . . . . . .
C28 C 0.6272(6) 0.0868(3) 0.6058(4) 0.0692 1.0000 Uani . . . . . .
C29 C 0.5585(6) 0.0736(3) 0.5598(4) 0.0672 1.0000 Uani . . . . . .
C30 C 0.5303(5) 0.1180(3) 0.5062(3) 0.0489 1.0000 Uani . . . . . .
C31 C 0.4840(4) 0.2919(3) 0.4919(3) 0.0442 1.0000 Uani . . . . . .
C32 C 0.5099(5) 0.3558(3) 0.5021(3) 0.0544 1.0000 Uani . . . . . .
C33 C 0.4732(6) 0.3980(4) 0.5460(4) 0.0678 1.0000 Uani . . . . . .
C34 C 0.4085(5) 0.3777(4) 0.5819(4) 0.0680 1.0000 Uani . . . . . .
C35 C 0.3807(5) 0.3173(5) 0.5760(4) 0.0773 1.0000 Uani . . . . . .
C36 C 0.4202(5) 0.2720(4) 0.5293(3) 0.0671 1.0000 Uani . . . . . .
C41 C 0.9766(3) 0.2374(3) 0.3669(2) 0.0323 1.0000 Uani . . . . . .
C42 C 0.9214(3) 0.2925(2) 0.3683(2) 0.0278 1.0000 Uani . . . . . .
C43 C 0.8838(4) 0.3199(3) 0.2973(3) 0.0420 1.0000 Uani . . . . . .
C44 C 1.0060(4) 0.2157(3) 0.2956(3) 0.0428 1.0000 Uani . . . . . .
C45 C 1.0654(4) 0.1681(3) 0.4371(3) 0.0437 1.0000 Uani . . . . . .
C46 C 1.1462(4) 0.1916(4) 0.4481(3) 0.0532 1.0000 Uani . . . . . .
C47 C 1.2089(5) 0.1476(5) 0.4535(3) 0.0721 1.0000 Uani . . . . . .
C48 C 1.1945(6) 0.0839(5) 0.4496(3) 0.0694 1.0000 Uani . . . . . .
C49 C 1.1140(6) 0.0617(4) 0.4402(3) 0.0752 1.0000 Uani . . . . . .
C50 C 1.0467(5) 0.1041(3) 0.4338(3) 0.0528 1.0000 Uani . . . . . .
C51 C 1.1634(4) 0.2607(4) 0.4537(4) 0.0637 1.0000 Uani . . . . . .
C52 C 1.2631(7) 0.0352(6) 0.4510(5) 0.1182 1.0000 Uani . . . . . .
C53 C 0.9603(5) 0.0826(3) 0.4221(4) 0.0610 1.0000 Uani . . . . . .
C54 C 0.8777(3) 0.3777(2) 0.4394(2) 0.0276 1.0000 Uani . . . . . .
C55 C 0.9277(3) 0.4302(2) 0.4301(2) 0.0319 1.0000 Uani . . . . . .
C56 C 0.8965(4) 0.4894(3) 0.4430(3) 0.0385 1.0000 Uani . . . . . .
C57 C 0.8186(4) 0.4984(3) 0.4634(3) 0.0405 1.0000 Uani . . . . . .
C58 C 0.7700(4) 0.4452(3) 0.4711(3) 0.0363 1.0000 Uani . . . . . .
C59 C 0.7985(3) 0.3843(2) 0.4596(3) 0.0318 1.0000 Uani . . . . . .
C60 C 1.0139(4) 0.4216(3) 0.4077(3) 0.0413 1.0000 Uani . . . . . .
C61 C 0.7869(5) 0.5644(3) 0.4774(4) 0.0615 1.0000 Uani . . . . . .
C62 C 0.7453(3) 0.3276(3) 0.4686(3) 0.0419 1.0000 Uani . . . . . .
C63 C 1.0114(4) 0.2011(3) 0.5995(3) 0.0467 1.0000 Uani . . . . . .
C64 C 0.9712(6) 0.1452(3) 0.6160(3) 0.0632 1.0000 Uani . . . . . .
C65 C 1.0081(8) 0.1008(4) 0.6660(4) 0.0843 1.0000 Uani . . . . . .
C66 C 1.0836(8) 0.1122(5) 0.6986(5) 0.0941 1.0000 Uani . . . . . .
C67 C 1.1247(6) 0.1673(5) 0.6850(4) 0.0811 1.0000 Uani . . . . . .
C68 C 1.0867(5) 0.2114(4) 0.6350(3) 0.0618 1.0000 Uani . . . . . .
C69 C 0.9234(4) 0.3154(3) 0.6022(3) 0.0369 1.0000 Uani . . . . . .
C70 C 0.8527(4) 0.3039(4) 0.6371(3) 0.0496 1.0000 Uani . . . . . .
C71 C 0.8265(5) 0.3477(5) 0.6894(4) 0.0684 1.0000 Uani . . . . . .
C72 C 0.8711(6) 0.4010(4) 0.7076(4) 0.0715 1.0000 Uani . . . . . .
C73 C 0.9401(6) 0.4123(3) 0.6759(3) 0.0625 1.0000 Uani . . . . . .
C74 C 0.9655(5) 0.3707(3) 0.6240(3) 0.0474 1.0000 Uani . . . . . .
C75 C 0.1702(7) 0.0747(6) 0.2485(5) 0.1087 1.0000 Uani . . . . . .
H31 H 0.5410 0.3270 0.1748 0.0722 1.0000 Uiso R . . . . .
H32 H 0.4757 0.2761 0.1566 0.0721 1.0000 Uiso R . . . . .
H33 H 0.4536 0.3373 0.1976 0.0720 1.0000 Uiso R . . . . .
H41 H 0.6191 0.1476 0.2045 0.0717 1.0000 Uiso R . . . . .
H42 H 0.6244 0.2164 0.1735 0.0721 1.0000 Uiso R . . . . .
H43 H 0.5428 0.1791 0.1616 0.0720 1.0000 Uiso R . . . . .
H71 H 0.7755 0.0481 0.3816 0.0599 1.0000 Uiso R . . . . .
H91 H 0.5546 -0.0221 0.3236 0.0609 1.0000 Uiso R . . . . .
H111 H 0.8001 0.1585 0.3934 0.0782 1.0000 Uiso R . . . . .
H112 H 0.7249 0.1970 0.4130 0.0783 1.0000 Uiso R . . . . .
H113 H 0.7491 0.1974 0.3338 0.0782 1.0000 Uiso R . . . . .
H121 H 0.6665 -0.0901 0.3871 0.1078 1.0000 Uiso R . . . . .
H122 H 0.7560 -0.0647 0.3853 0.1078 1.0000 Uiso R . . . . .
H123 H 0.7051 -0.0826 0.3123 0.1080 1.0000 Uiso R . . . . .
H131 H 0.4606 0.0992 0.2509 0.0801 1.0000 Uiso R . . . . .
H132 H 0.4385 0.0436 0.3019 0.0799 1.0000 Uiso R . . . . .
H133 H 0.4446 0.1124 0.3324 0.0800 1.0000 Uiso R . . . . .
H161 H 0.4695 0.5036 0.3417 0.0850 1.0000 Uiso R . . . . .
H181 H 0.2684 0.3974 0.3465 0.0939 1.0000 Uiso R . . . . .
H201 H 0.6004 0.4571 0.3418 0.0969 1.0000 Uiso R . . . . .
H202 H 0.6112 0.3841 0.3547 0.0968 1.0000 Uiso R . . . . .
H203 H 0.5932 0.4105 0.2745 0.0970 1.0000 Uiso R . . . . .
H211 H 0.2556 0.5075 0.3601 0.1938 1.0000 Uiso R . . . . .
H212 H 0.3339 0.5461 0.3889 0.1939 1.0000 Uiso R . . . . .
H213 H 0.3087 0.5415 0.3043 0.1938 1.0000 Uiso R . . . . .
H221 H 0.3377 0.2617 0.2822 0.1048 1.0000 Uiso R . . . . .
H222 H 0.2718 0.2860 0.3311 0.1047 1.0000 Uiso R . . . . .
H223 H 0.3500 0.2539 0.3672 0.1047 1.0000 Uiso R . . . . .
H261 H 0.6677 0.2253 0.5420 0.0598 1.0000 Uiso R . . . . .
H271 H 0.7148 0.1513 0.6295 0.0841 1.0000 Uiso R . . . . .
H281 H 0.6465 0.0577 0.6417 0.1018 1.0000 Uiso R . . . . .
H291 H 0.5307 0.0358 0.5646 0.0987 1.0000 Uiso R . . . . .
H301 H 0.4836 0.1088 0.4754 0.0708 1.0000 Uiso R . . . . .
H321 H 0.5544 0.3697 0.4776 0.0771 1.0000 Uiso R . . . . .
H331 H 0.4921 0.4399 0.5517 0.0960 1.0000 Uiso R . . . . .
H341 H 0.3827 0.4066 0.6113 0.0961 1.0000 Uiso R . . . . .
H351 H 0.3374 0.3044 0.6014 0.1096 1.0000 Uiso R . . . . .
H361 H 0.4016 0.2298 0.5254 0.0941 1.0000 Uiso R . . . . .
H431 H 0.8550 0.2875 0.2692 0.0748 1.0000 Uiso R . . . . .
H432 H 0.9259 0.3366 0.2701 0.0749 1.0000 Uiso R . . . . .
H433 H 0.8471 0.3531 0.3077 0.0746 1.0000 Uiso R . . . . .
H441 H 0.9992 0.2485 0.2584 0.0774 1.0000 Uiso R . . . . .
H442 H 1.0625 0.2032 0.3012 0.0773 1.0000 Uiso R . . . . .
H443 H 0.9746 0.1798 0.2778 0.0775 1.0000 Uiso R . . . . .
H471 H 1.2627 0.1617 0.4601 0.1029 1.0000 Uiso R . . . . .
H491 H 1.1039 0.0187 0.4379 0.1079 1.0000 Uiso R . . . . .
H511 H 1.2213 0.2670 0.4650 0.1158 1.0000 Uiso R . . . . .
H512 H 1.1343 0.2784 0.4923 0.1159 1.0000 Uiso R . . . . .
H513 H 1.1461 0.2808 0.4076 0.1159 1.0000 Uiso R . . . . .
H521 H 1.2407 -0.0063 0.4591 0.2098 1.0000 Uiso R . . . . .
H522 H 1.3037 0.0452 0.4901 0.2099 1.0000 Uiso R . . . . .
H523 H 1.2870 0.0360 0.4047 0.2100 1.0000 Uiso R . . . . .
H531 H 0.9576 0.0376 0.4266 0.1118 1.0000 Uiso R . . . . .
H532 H 0.9285 0.1019 0.4574 0.1118 1.0000 Uiso R . . . . .
H533 H 0.9375 0.0949 0.3743 0.1119 1.0000 Uiso R . . . . .
H561 H 0.9297 0.5246 0.4372 0.0549 1.0000 Uiso R . . . . .
H581 H 0.7171 0.4505 0.4843 0.0508 1.0000 Uiso R . . . . .
H601 H 1.0437 0.4603 0.4131 0.0746 1.0000 Uiso R . . . . .
H602 H 1.0426 0.3901 0.4378 0.0748 1.0000 Uiso R . . . . .
H603 H 1.0129 0.4087 0.3574 0.0748 1.0000 Uiso R . . . . .
H611 H 0.7313 0.5615 0.4880 0.1089 1.0000 Uiso R . . . . .
H612 H 0.8187 0.5830 0.5181 0.1090 1.0000 Uiso R . . . . .
H613 H 0.7905 0.5900 0.4348 0.1090 1.0000 Uiso R . . . . .
H621 H 0.7065 0.3369 0.5031 0.0748 1.0000 Uiso R . . . . .
H622 H 0.7782 0.2924 0.4863 0.0747 1.0000 Uiso R . . . . .
H623 H 0.7168 0.3164 0.4228 0.0748 1.0000 Uiso R . . . . .
H641 H 0.9190 0.1375 0.5936 0.0918 1.0000 Uiso R . . . . .
H651 H 0.9803 0.0639 0.6766 0.1219 1.0000 Uiso R . . . . .
H661 H 1.1083 0.0822 0.7308 0.1359 1.0000 Uiso R . . . . .
H671 H 1.1761 0.1751 0.7080 0.1159 1.0000 Uiso R . . . . .
H681 H 1.1137 0.2492 0.6258 0.0889 1.0000 Uiso R . . . . .
H701 H 0.8228 0.2671 0.6264 0.0705 1.0000 Uiso R . . . . .
H711 H 0.7787 0.3403 0.7108 0.0999 1.0000 Uiso R . . . . .
H721 H 0.8537 0.4293 0.7423 0.1018 1.0000 Uiso R . . . . .
H731 H 0.9707 0.4484 0.6882 0.0899 1.0000 Uiso R . . . . .
H741 H 1.0137 0.3801 0.6027 0.0692 1.0000 Uiso R . . . . .
H751 H 0.1480 0.0801 0.2955 0.1560 1.0000 Uiso R . . . . .
H752 H 0.1266 0.0791 0.2096 0.1560 1.0000 Uiso R . . . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 . N1 . 2.104(4) yes
Pt1 . N2 . 2.099(4) yes
Pt1 . C25 . 2.013(5) yes
Pt1 . C31 . 2.012(5) yes
Pt2 . N3 . 2.091(4) yes
Pt2 . N4 . 2.104(4) yes
Pt2 . C63 . 2.020(6) yes
Pt2 . C69 . 2.004(5) yes
Cl1 . C75 . 1.699(13) yes
Cl2 . C75 . 1.697(13) yes
N1 . C1 . 1.296(6) yes
N1 . C5 . 1.441(6) yes
N2 . C2 . 1.287(6) yes
N2 . C14 . 1.439(7) yes
N3 . C41 . 1.293(6) yes
N3 . C45 . 1.438(7) yes
N4 . C42 . 1.291(6) yes
N4 . C54 . 1.441(6) yes
C1 . C2 . 1.489(7) yes
C1 . C4 . 1.488(6) yes
C2 . C3 . 1.499(7) yes
C3 . H31 . 0.946 no
C3 . H32 . 0.948 no
C3 . H33 . 0.952 no
C4 . H41 . 0.961 no
C4 . H42 . 0.955 no
C4 . H43 . 0.962 no
C5 . C6 . 1.381(8) yes
C5 . C10 . 1.398(7) yes
C6 . C7 . 1.406(8) yes
C6 . C11 . 1.513(8) yes
C7 . C8 . 1.393(9) yes
C7 . H71 . 0.921 no
C8 . C9 . 1.376(9) yes
C8 . C12 . 1.507(8) yes
C9 . C10 . 1.395(8) yes
C9 . H91 . 0.930 no
C10 . C13 . 1.489(9) yes
C11 . H111 . 0.954 no
C11 . H112 . 0.944 no
C11 . H113 . 0.949 no
C12 . H121 . 0.962 no
C12 . H122 . 0.953 no
C12 . H123 . 0.956 no
C13 . H131 . 0.964 no
C13 . H132 . 0.962 no
C13 . H133 . 0.958 no
C14 . C15 . 1.403(9) yes
C14 . C19 . 1.389(9) yes
C15 . C16 . 1.398(9) yes
C15 . C20 . 1.507(10) yes
C16 . C17 . 1.381(12) yes
C16 . H161 . 0.935 no
C17 . C18 . 1.392(12) yes
C17 . C21 . 1.529(9) yes
C18 . C19 . 1.392(9) yes
C18 . H181 . 0.922 no
C19 . C22 . 1.496(10) yes
C20 . H201 . 0.964 no
C20 . H202 . 0.959 no
C20 . H203 . 0.963 no
C21 . H211 . 0.966 no
C21 . H212 . 0.961 no
C21 . H213 . 0.958 no
C22 . H221 . 0.959 no
C22 . H222 . 0.952 no
C22 . H223 . 0.957 no
C25 . C26 . 1.388(8) yes
C25 . C30 . 1.404(8) yes
C26 . C27 . 1.395(8) yes
C26 . H261 . 0.940 no
C27 . C28 . 1.368(11) yes
C27 . H271 . 0.935 no
C28 . C29 . 1.378(12) yes
C28 . H281 . 0.934 no
C29 . C30 . 1.405(9) yes
C29 . H291 . 0.928 no
C30 . H301 . 0.934 no
C31 . C32 . 1.423(9) yes
C31 . C36 . 1.367(10) yes
C32 . C33 . 1.374(9) yes
C32 . H321 . 0.937 no
C33 . C34 . 1.368(12) yes
C33 . H331 . 0.939 no
C34 . C35 . 1.355(13) yes
C34 . H341 . 0.939 no
C35 . C36 . 1.471(10) yes
C35 . H351 . 0.925 no
C36 . H361 . 0.943 no
C41 . C42 . 1.478(7) yes
C41 . C44 . 1.502(7) yes
C42 . C43 . 1.505(7) yes
C43 . H431 . 0.956 no
C43 . H432 . 0.957 no
C43 . H433 . 0.955 no
C44 . H441 . 0.969 no
C44 . H442 . 0.963 no
C44 . H443 . 0.958 no
C45 . C46 . 1.418(10) yes
C45 . C50 . 1.385(10) yes
C46 . C47 . 1.385(9) yes
C46 . C51 . 1.487(11) yes
C47 . C48 . 1.365(13) yes
C47 . H471 . 0.934 no
C48 . C49 . 1.403(13) yes
C48 . C52 . 1.527(10) yes
C49 . C50 . 1.421(10) yes
C49 . H491 . 0.923 no
C50 . C53 . 1.489(11) yes
C51 . H511 . 0.966 no
C51 . H512 . 0.963 no
C51 . H513 . 0.965 no
C52 . H521 . 0.966 no
C52 . H522 . 0.959 no
C52 . H523 . 0.963 no
C53 . H531 . 0.955 no
C53 . H532 . 0.955 no
C53 . H533 . 0.957 no
C54 . C55 . 1.399(7) yes
C54 . C59 . 1.393(7) yes
C55 . C56 . 1.379(8) yes
C55 . C60 . 1.521(8) yes
C56 . C57 . 1.380(8) yes
C56 . H561 . 0.933 no
C57 . C58 . 1.392(8) yes
C57 . C61 . 1.517(8) yes
C58 . C59 . 1.391(7) yes
C58 . H581 . 0.930 no
C59 . C62 . 1.502(7) yes
C60 . H601 . 0.954 no
C60 . H602 . 0.961 no
C60 . H603 . 0.959 no
C61 . H611 . 0.954 no
C61 . H612 . 0.957 no
C61 . H613 . 0.954 no
C62 . H621 . 0.956 no
C62 . H622 . 0.959 no
C62 . H623 . 0.954 no
C63 . C64 . 1.399(10) yes
C63 . C68 . 1.367(10) yes
C64 . C65 . 1.411(10) yes
C64 . H641 . 0.934 no
C65 . C66 . 1.353(15) yes
C65 . H651 . 0.930 no
C66 . C67 . 1.378(15) yes
C66 . H661 . 0.934 no
C67 . C68 . 1.411(10) yes
C67 . H671 . 0.927 no
C68 . H681 . 0.936 no
C69 . C70 . 1.397(8) yes
C69 . C74 . 1.399(9) yes
C70 . C71 . 1.424(10) yes
C70 . H701 . 0.932 no
C71 . C72 . 1.369(12) yes
C71 . H711 . 0.922 no
C72 . C73 . 1.341(12) yes
C72 . H721 . 0.933 no
C73 . C74 . 1.384(8) yes
C73 . H731 . 0.929 no
C74 . H741 . 0.935 no
C75 . H751 . 0.970 no
C75 . H752 . 0.971 no
