#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:34:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178521 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/25/4062506.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_4062506
loop_
_publ_author_name
'Holliday, Bradley J.'
'Ulmann, Pirmin A.'
'Mirkin, Chad A.'
'Stern, Charlotte L.'
'Zakharov, Lev N.'
'Rheingold, Arnold L.'
_publ_section_title
;
 A Systematic Study of the Role of Ligand Structure in the Formation
 of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link
 Approach
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om030611a
_journal_year                    2004
_chemical_formula_moiety
'C72 H72 O4 P4 Rh2, 2(B F4), 2(C H2 Cl2), 5(C4 H10 O)'
_chemical_formula_sum            'C94 H126 B2 Cl4 F8 O9 P4 Rh2'
_chemical_formula_weight         2045.07
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 128.3320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.0417(12)
_cell_length_b                   29.121(2)
_cell_length_c                   16.1785(8)
_cell_measurement_temperature    128(2)
_cell_volume                     8515.4(9)
_diffrn_ambient_temperature      128(2)
_exptl_crystal_density_diffrn    1.595
_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      'C c'
_cod_database_code               4062506
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -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
Rh1 Rh 0.38409(2) 0.572591(13) 0.55358(3) 0.02368(10) Uani 1 1 d . . .
Rh2 Rh 0.606714(19) 0.720691(12) 1.03612(3) 0.02198(10) Uani 1 1 d . . .
P1 P 0.39896(8) 0.54624(5) 0.43875(12) 0.0306(3) Uani 1 1 d . . .
P2 P 0.35797(8) 0.64483(5) 0.49133(11) 0.0258(3) Uani 1 1 d . . .
P3 P 0.70008(8) 0.71156(5) 1.20751(11) 0.0282(3) Uani 1 1 d . . .
P4 P 0.52242(7) 0.68631(4) 1.04248(10) 0.0225(3) Uani 1 1 d . . .
O1 O 0.3703(2) 0.46015(13) 0.5519(4) 0.0360(10) Uani 1 1 d . . .
O2 O 0.3997(2) 0.61704(13) 0.7648(3) 0.0274(8) Uani 1 1 d . . .
O3 O 0.7368(2) 0.79218(15) 1.0898(3) 0.0331(9) Uani 1 1 d . . .
O4 O 0.4684(2) 0.71696(13) 0.7650(3) 0.0276(8) Uani 1 1 d . . .
C1 C 0.3799(3) 0.50081(19) 0.6024(5) 0.0315(12) Uani 1 1 d . . .
C2 C 0.4513(3) 0.51932(19) 0.6788(4) 0.0280(11) Uani 1 1 d . . .
H2A H 0.4948 0.5052 0.6887 0.034 Uiso 1 1 calc R . .
C3 C 0.4615(3) 0.5583(2) 0.7372(4) 0.0265(11) Uani 1 1 d . . .
H3A H 0.5110 0.5733 0.7867 0.032 Uiso 1 1 calc R . .
C4 C 0.3964(3) 0.57904(17) 0.7111(4) 0.0241(10) Uani 1 1 d . . .
C5 C 0.3249(3) 0.5623(2) 0.6326(5) 0.0283(11) Uani 1 1 d . . .
C6 C 0.3153(3) 0.52085(18) 0.5777(5) 0.0299(12) Uani 1 1 d . . .
C7 C 0.2413(3) 0.4992(2) 0.5020(5) 0.0377(14) Uani 1 1 d . . .
H7A H 0.2299 0.4806 0.5408 0.057 Uiso 1 1 calc R . .
H7B H 0.2414 0.4796 0.4529 0.057 Uiso 1 1 calc R . .
H7C H 0.2037 0.5232 0.4625 0.057 Uiso 1 1 calc R . .
C8 C 0.2592(3) 0.5864(2) 0.6145(5) 0.0344(12) Uani 1 1 d . . .
H8A H 0.2507 0.5735 0.6621 0.052 Uiso 1 1 calc R . .
H8B H 0.2151 0.5819 0.5413 0.052 Uiso 1 1 calc R . .
H8C H 0.2697 0.6193 0.6285 0.052 Uiso 1 1 calc R . .
C9 C 0.4036(4) 0.4540(2) 0.5012(5) 0.0352(13) Uani 1 1 d . . .
H9A H 0.3965 0.4218 0.4770 0.042 Uiso 1 1 calc R . .
H9B H 0.4575 0.4597 0.5531 0.042 Uiso 1 1 calc R . .
C10 C 0.3704(4) 0.4865(2) 0.4062(5) 0.0368(13) Uani 1 1 d . . .
H10A H 0.3158 0.4852 0.3622 0.044 Uiso 1 1 calc R . .
H10B H 0.3842 0.4748 0.3630 0.044 Uiso 1 1 calc R . .
C11 C 0.4653(3) 0.62489(18) 0.8707(4) 0.0249(10) Uani 1 1 d . . .
H11A H 0.5065 0.6351 0.8712 0.030 Uiso 1 1 calc R . .
H11B H 0.4804 0.5965 0.9131 0.030 Uiso 1 1 calc R . .
C12 C 0.4453(3) 0.66186(19) 0.9145(4) 0.0267(11) Uani 1 1 d . . .
H12A H 0.4088 0.6490 0.9215 0.032 Uiso 1 1 calc R . .
H12B H 0.4207 0.6872 0.8625 0.032 Uiso 1 1 calc R . .
C13 C 0.6700(3) 0.77127(19) 1.0136(5) 0.0273(11) Uani 1 1 d . . .
C14 C 0.6698(3) 0.72845(19) 0.9687(5) 0.0266(11) Uani 1 1 d . . .
H14A H 0.7172 0.7114 1.0015 0.032 Uiso 1 1 calc R . .
C15 C 0.6029(3) 0.7088(2) 0.8865(5) 0.0277(11) Uani 1 1 d . . .
H15A H 0.6012 0.6770 0.8614 0.033 Uiso 1 1 calc R . .
C16 C 0.5362(3) 0.73254(19) 0.8487(4) 0.0249(10) Uani 1 1 d . . .
C17 C 0.5367(3) 0.77450(18) 0.8939(5) 0.0289(11) Uani 1 1 d . . .
C18 C 0.6050(3) 0.79543(19) 0.9755(5) 0.0287(11) Uani 1 1 d . . .
C19 C 0.6078(4) 0.8418(2) 1.0164(6) 0.0364(14) Uani 1 1 d . . .
H19A H 0.6053 0.8652 0.9708 0.055 Uiso 1 1 calc R . .
H19B H 0.6542 0.8452 1.0881 0.055 Uiso 1 1 calc R . .
H19C H 0.5659 0.8455 1.0171 0.055 Uiso 1 1 calc R . .
C20 C 0.4652(3) 0.7975(2) 0.8491(6) 0.0372(14) Uani 1 1 d . . .
H20A H 0.4518 0.8177 0.7912 0.056 Uiso 1 1 calc R . .
H20B H 0.4701 0.8157 0.9041 0.056 Uiso 1 1 calc R . .
H20C H 0.4266 0.7743 0.8226 0.056 Uiso 1 1 calc R . .
C21 C 0.7901(3) 0.7644(2) 1.1814(5) 0.0346(13) Uani 1 1 d . . .
H21A H 0.8392 0.7793 1.2220 0.041 Uiso 1 1 calc R . .
H21B H 0.7941 0.7340 1.1578 0.041 Uiso 1 1 calc R . .
C22 C 0.7690(3) 0.7576(2) 1.2525(5) 0.0339(13) Uani 1 1 d . . .
H22A H 0.7489 0.7867 1.2566 0.041 Uiso 1 1 calc R . .
H22B H 0.8141 0.7501 1.3243 0.041 Uiso 1 1 calc R . .
C23 C 0.4645(3) 0.68860(19) 0.6876(4) 0.0270(11) Uani 1 1 d . . .
H23A H 0.4846 0.6575 0.7161 0.032 Uiso 1 1 calc R . .
H23B H 0.4926 0.7027 0.6666 0.032 Uiso 1 1 calc R . .
C24 C 0.3831(3) 0.68627(18) 0.5953(4) 0.0284(11) Uani 1 1 d . . .
H24A H 0.3666 0.7172 0.5633 0.034 Uiso 1 1 calc R . .
H24B H 0.3557 0.6782 0.6220 0.034 Uiso 1 1 calc R . .
C25 C 0.3462(4) 0.5708(2) 0.3078(5) 0.0411(15) Uani 1 1 d . . .
C26 C 0.2678(5) 0.5713(3) 0.2480(6) 0.054(2) Uani 1 1 d . . .
H26A H 0.2459 0.5577 0.2761 0.065 Uiso 1 1 calc R . .
C27 C 0.2238(6) 0.5911(4) 0.1503(7) 0.084(3) Uani 1 1 d . . .
H27A H 0.1716 0.5920 0.1111 0.101 Uiso 1 1 calc R . .
C28 C 0.2575(6) 0.6109(3) 0.1076(7) 0.071(3) Uani 1 1 d . . .
H28A H 0.2276 0.6251 0.0402 0.085 Uiso 1 1 calc R . .
C29 C 0.3312(6) 0.6091(3) 0.1629(7) 0.064(3) Uani 1 1 d . . .
H29A H 0.3526 0.6213 0.1330 0.077 Uiso 1 1 calc R . .
C30 C 0.3776(5) 0.5894(3) 0.2647(6) 0.0503(17) Uani 1 1 d . . .
H30A H 0.4297 0.5890 0.3033 0.060 Uiso 1 1 calc R . .
C31 C 0.4953(3) 0.54236(19) 0.4883(5) 0.0320(12) Uani 1 1 d . . .
C32 C 0.5117(4) 0.5195(2) 0.4283(5) 0.0391(14) Uani 1 1 d . . .
H32A H 0.4729 0.5084 0.3599 0.047 Uiso 1 1 calc R . .
C33 C 0.5843(5) 0.5136(2) 0.4696(7) 0.0488(18) Uani 1 1 d . . .
H33A H 0.5954 0.4974 0.4299 0.059 Uiso 1 1 calc R . .
C34 C 0.6422(4) 0.5308(2) 0.5689(6) 0.0453(16) Uani 1 1 d . . .
H34A H 0.6922 0.5268 0.5965 0.054 Uiso 1 1 calc R . .
C35 C 0.6251(4) 0.5535(2) 0.6256(6) 0.0409(14) Uani 1 1 d . . .
H35A H 0.6640 0.5657 0.6928 0.049 Uiso 1 1 calc R . .
C36 C 0.5517(4) 0.5591(2) 0.5868(5) 0.0368(13) Uani 1 1 d . . .
H36A H 0.5410 0.5742 0.6280 0.044 Uiso 1 1 calc R . .
C37 C 0.4021(3) 0.67024(18) 0.4379(5) 0.0288(11) Uani 1 1 d . . .
C38 C 0.4786(3) 0.6653(2) 0.5009(5) 0.0370(13) Uani 1 1 d . . .
H38A H 0.5048 0.6497 0.5665 0.044 Uiso 1 1 calc R . .
C39 C 0.5166(5) 0.6838(3) 0.4661(7) 0.0541(19) Uani 1 1 d . . .
H39A H 0.5691 0.6825 0.5109 0.065 Uiso 1 1 calc R . .
C40 C 0.4794(6) 0.7035(3) 0.3697(9) 0.070(3) Uani 1 1 d . . .
H40A H 0.5052 0.7142 0.3450 0.085 Uiso 1 1 calc R . .
C41 C 0.4021(6) 0.7080(3) 0.3068(8) 0.069(3) Uani 1 1 d . . .
H41A H 0.3763 0.7234 0.2410 0.082 Uiso 1 1 calc R . .
C42 C 0.3623(4) 0.6904(3) 0.3384(6) 0.0484(17) Uani 1 1 d . . .
H42A H 0.3098 0.6920 0.2936 0.058 Uiso 1 1 calc R . .
C43 C 0.2591(3) 0.6594(2) 0.3966(5) 0.0351(13) Uani 1 1 d . . .
C44 C 0.2338(4) 0.7034(2) 0.3579(5) 0.0396(14) Uani 1 1 d . . .
H44A H 0.2683 0.7277 0.3816 0.048 Uiso 1 1 calc R . .
C45 C 0.1591(5) 0.7124(3) 0.2854(6) 0.058(2) Uani 1 1 d . . .
H45A H 0.1426 0.7424 0.2569 0.070 Uiso 1 1 calc R . .
C46 C 0.1090(5) 0.6781(4) 0.2546(7) 0.073(3) Uani 1 1 d . . .
H46A H 0.0576 0.6847 0.2055 0.087 Uiso 1 1 calc R . .
C47 C 0.1315(4) 0.6340(3) 0.2936(6) 0.060(2) Uani 1 1 d . . .
H47A H 0.0966 0.6103 0.2732 0.072 Uiso 1 1 calc R . .
C48 C 0.2084(4) 0.6255(3) 0.3648(6) 0.0461(16) Uani 1 1 d . . .
H48A H 0.2252 0.5953 0.3915 0.055 Uiso 1 1 calc R . .
C49 C 0.6872(3) 0.7160(2) 1.3082(5) 0.0355(14) Uani 1 1 d . . .
C50 C 0.6927(4) 0.6777(3) 1.3646(5) 0.0447(16) Uani 1 1 d . . .
H50A H 0.7025 0.6481 1.3514 0.054 Uiso 1 1 calc R . .
C51 C 0.6832(4) 0.6844(4) 1.4414(6) 0.059(2) Uani 1 1 d . . .
H51A H 0.6859 0.6587 1.4798 0.071 Uiso 1 1 calc R . .
C52 C 0.6698(4) 0.7281(3) 1.4628(6) 0.058(2) Uani 1 1 d . . .
H52A H 0.6651 0.7318 1.5166 0.069 Uiso 1 1 calc R . .
C53 C 0.6636(4) 0.7655(3) 1.4059(6) 0.0518(19) Uani 1 1 d . . .
H53A H 0.6539 0.7952 1.4195 0.062 Uiso 1 1 calc R . .
C54 C 0.6718(3) 0.7592(3) 1.3276(5) 0.0410(15) Uani 1 1 d . . .
H54A H 0.6668 0.7848 1.2872 0.049 Uiso 1 1 calc R . .
C55 C 0.7594(3) 0.6614(2) 1.2439(5) 0.0314(12) Uani 1 1 d . . .
C56 C 0.7480(3) 0.6333(2) 1.1667(5) 0.0398(14) Uani 1 1 d . . .
H56A H 0.7078 0.6392 1.0950 0.048 Uiso 1 1 calc R . .
C57 C 0.7947(4) 0.5963(2) 1.1922(7) 0.0501(17) Uani 1 1 d . . .
H57A H 0.7868 0.5767 1.1390 0.060 Uiso 1 1 calc R . .
C58 C 0.8535(4) 0.5888(3) 1.2983(9) 0.066(3) Uani 1 1 d . . .
H58A H 0.8856 0.5634 1.3175 0.079 Uiso 1 1 calc R . .
C59 C 0.8662(4) 0.6176(3) 1.3771(6) 0.054(2) Uani 1 1 d . . .
H59A H 0.9072 0.6123 1.4488 0.065 Uiso 1 1 calc R . .
C60 C 0.8208(3) 0.6524(2) 1.3510(5) 0.0400(14) Uani 1 1 d . . .
H60A H 0.8293 0.6718 1.4049 0.048 Uiso 1 1 calc R . .
C61 C 0.5502(3) 0.63824(19) 1.1324(4) 0.0276(11) Uani 1 1 d . . .
C62 C 0.5931(3) 0.60403(19) 1.1340(5) 0.0311(12) Uani 1 1 d . . .
H62A H 0.6058 0.6064 1.0884 0.037 Uiso 1 1 calc R . .
C63 C 0.6179(4) 0.5663(2) 1.2015(5) 0.0377(14) Uani 1 1 d . . .
H63A H 0.6464 0.5428 1.2010 0.045 Uiso 1 1 calc R . .
C64 C 0.6003(3) 0.5635(2) 1.2691(5) 0.0384(14) Uani 1 1 d . . .
H64A H 0.6174 0.5383 1.3163 0.046 Uiso 1 1 calc R . .
C65 C 0.5571(4) 0.5980(3) 1.2675(6) 0.0469(17) Uani 1 1 d . . .
H65A H 0.5449 0.5960 1.3137 0.056 Uiso 1 1 calc R . .
C66 C 0.5328(3) 0.6340(2) 1.2016(5) 0.0300(11) Uani 1 1 d . . .
H66A H 0.5035 0.6569 1.2017 0.036 Uiso 1 1 calc R . .
C67 C 0.4724(3) 0.72555(18) 1.0661(4) 0.0259(11) Uani 1 1 d . . .
C68 C 0.4034(3) 0.7144(2) 1.0428(5) 0.0331(13) Uani 1 1 d . . .
H68A H 0.3809 0.6855 1.0128 0.040 Uiso 1 1 calc R . .
C69 C 0.3697(3) 0.7457(3) 1.0640(5) 0.0441(16) Uani 1 1 d . . .
H69A H 0.3241 0.7381 1.0493 0.053 Uiso 1 1 calc R . .
C70 C 0.4016(4) 0.7888(3) 1.1070(6) 0.0495(19) Uani 1 1 d . . .
H70A H 0.3783 0.8098 1.1230 0.059 Uiso 1 1 calc R . .
C71 C 0.4664(4) 0.8007(3) 1.1258(5) 0.0481(17) Uani 1 1 d . . .
H71A H 0.4868 0.8305 1.1520 0.058 Uiso 1 1 calc R . .
C72 C 0.5031(3) 0.7690(2) 1.1065(5) 0.0352(13) Uani 1 1 d . . .
H72A H 0.5485 0.7772 1.1209 0.042 Uiso 1 1 calc R . .
Cl1 Cl -0.1198(4) 0.6883(2) 0.0634(6) 0.170(2) Uiso 1 1 d . . .
Cl2 Cl -0.0576(4) 0.6003(3) 0.1574(7) 0.207(3) Uiso 1 1 d . . .
Cl4 Cl 0.0571(6) 0.4702(4) -0.0013(9) 0.263(4) Uiso 1 1 d . . .
Cl3 Cl 0.0828(6) 0.5249(4) 0.1613(10) 0.282(5) Uiso 1 1 d . . .
C73 C -0.1068(14) 0.6340(8) 0.047(2) 0.192(9) Uiso 1 1 d . . .
H73A H -0.0811 0.6338 0.0155 0.230 Uiso 1 1 calc R . .
H73B H -0.1559 0.6197 -0.0050 0.230 Uiso 1 1 calc R . .
C74 C 0.05813(12) 0.47402(7) 0.11930(19) 0.223(11) Uiso 1 1 d . . .
H74A H 0.0084 0.4677 0.0982 0.267 Uiso 1 1 calc R . .
H74B H 0.0936 0.4517 0.1742 0.267 Uiso 1 1 calc R . .
B1 B 0.15812(12) 0.08933(7) 0.87877(19) 0.048(2) Uani 1 1 d R . .
B2 B -0.28152(12) -0.11719(7) 0.32427(19) 0.054(2) Uani 1 1 d R . .
F1 F 0.23152(12) 0.09804(7) 0.94453(19) 0.129(3) Uiso 1 1 d R . .
F2 F 0.14262(12) 0.04367(7) 0.84251(19) 0.0787(15) Uiso 1 1 d R . .
F3 F 0.12069(12) 0.11778(7) 0.79086(19) 0.0702(13) Uiso 1 1 d R . .
F4 F 0.12894(12) 0.09472(7) 0.93235(19) 0.0495(10) Uiso 1 1 d R . .
F5 F -0.22904(12) -0.13500(7) 0.42330(19) 0.200(5) Uiso 1 1 d R . .
F6 F -0.34105(12) -0.13736(7) 0.24493(19) 0.146(3) Uiso 1 1 d R . .
F7 F -0.24158(12) -0.13699(7) 0.29571(19) 0.156(4) Uiso 1 1 d R . .
F8 F -0.28267(12) -0.07075(7) 0.30730(19) 0.0769(15) Uiso 1 1 d 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
Rh1 P1 2.2243(16) . ?
Rh1 C2 2.239(5) . ?
Rh1 P2 2.2471(14) . ?
Rh1 C1 2.258(6) . ?
Rh1 C3 2.368(6) . ?
Rh1 C6 2.387(6) . ?
Rh1 C4 2.389(6) . ?
Rh1 C5 2.397(6) . ?
Rh2 P3 2.2333(15) . ?
Rh2 P4 2.2436(13) . ?
Rh2 C13 2.255(5) . ?
Rh2 C14 2.308(6) . ?
Rh2 C18 2.377(6) . ?
Rh2 C15 2.393(6) . ?
Rh2 C17 2.398(6) . ?
Rh2 C16 2.416(6) . ?
P1 C25 1.812(7) . ?
P1 C10 1.819(6) . ?
P1 C31 1.838(6) . ?
P2 C43 1.840(6) . ?
P2 C24 1.847(5) . ?
P2 C37 1.850(6) . ?
P3 C55 1.829(6) . ?
P3 C49 1.834(7) . ?
P3 C22 1.848(6) . ?
P4 C67 1.823(5) . ?
P4 C61 1.825(6) . ?
P4 C12 1.841(5) . ?
O1 C1 1.376(7) . ?
O1 C9 1.440(7) . ?
O2 C4 1.380(6) . ?
O2 C11 1.435(6) . ?
O3 C13 1.381(6) . ?
O3 C21 1.450(8) . ?
O4 C16 1.363(7) . ?
O4 C23 1.455(7) . ?
C1 C6 1.405(9) . ?
C1 C2 1.415(8) . ?
C2 C3 1.401(8) . ?
C3 C4 1.415(7) . ?
C4 C5 1.404(8) . ?
C5 C6 1.433(8) . ?
C5 C8 1.522(8) . ?
C6 C7 1.488(8) . ?
C9 C10 1.544(9) . ?
C11 C12 1.509(7) . ?
C13 C18 1.405(8) . ?
C13 C14 1.442(8) . ?
C14 C15 1.390(8) . ?
C15 C16 1.432(8) . ?
C16 C17 1.420(8) . ?
C17 C18 1.419(8) . ?
C17 C20 1.485(8) . ?
C18 C19 1.486(8) . ?
C21 C22 1.512(9) . ?
C23 C24 1.508(8) . ?
C25 C30 1.388(10) . ?
C25 C26 1.426(11) . ?
C26 C27 1.369(12) . ?
C27 C28 1.442(17) . ?
C28 C29 1.341(15) . ?
C29 C30 1.414(11) . ?
C31 C36 1.378(9) . ?
C31 C32 1.407(8) . ?
C32 C33 1.375(10) . ?
C33 C34 1.397(12) . ?
C34 C35 1.373(9) . ?
C35 C36 1.401(9) . ?
C37 C38 1.390(9) . ?
C37 C42 1.395(9) . ?
C38 C39 1.410(10) . ?
C39 C40 1.356(13) . ?
C40 C41 1.404(15) . ?
C41 C42 1.397(12) . ?
C43 C48 1.365(10) . ?
C43 C44 1.384(9) . ?
C44 C45 1.379(10) . ?
C45 C46 1.366(15) . ?
C46 C47 1.381(15) . ?
C47 C48 1.412(10) . ?
C49 C54 1.393(10) . ?
C49 C50 1.398(10) . ?
C50 C51 1.402(10) . ?
C51 C52 1.402(14) . ?
C52 C53 1.375(12) . ?
C53 C54 1.404(10) . ?
C55 C56 1.377(10) . ?
C55 C60 1.426(8) . ?
C56 C57 1.393(9) . ?
C57 C58 1.395(13) . ?
C58 C59 1.398(14) . ?
C59 C60 1.323(10) . ?
C61 C62 1.392(8) . ?
C61 C66 1.410(8) . ?
C62 C63 1.398(9) . ?
C63 C64 1.384(10) . ?
C64 C65 1.405(11) . ?
C65 C66 1.344(9) . ?
C67 C72 1.399(8) . ?
C67 C68 1.427(8) . ?
C68 C69 1.371(9) . ?
C69 C70 1.403(11) . ?
C70 C71 1.370(12) . ?
C71 C72 1.411(9) . ?
Cl1 C73 1.66(2) . ?
Cl2 C73 1.71(3) . ?
Cl4 C74 1.939(12) . ?
Cl3 C74 1.582(11) . ?
B1 F1 1.3507 . ?
B1 F3 1.3899 . ?
B1 F4 1.3971 . ?
B1 F2 1.4071 . ?
B2 F6 1.3000 . ?
B2 F5 1.3765 . ?
B2 F8 1.3772 . ?
B2 F7 1.3858 . ?
