#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:58:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179087 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/49/4304918.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_4304918
loop_
_publ_author_name
'Wai-Man Cheung'
'Ho-Yuen Ng'
'Ian D. Williams'
'Wa-Hung Leung'
_publ_section_title
;
Ruthenium Complexes with Tetraphenylimidodiphosphinate: Syntheses,
Structures, and Applications to Catalytic Organic Oxidation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4383
_journal_page_last               4391
_journal_paper_doi               10.1021/ic800018d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C48 H42 Cl N2 O5 P4 Ru'
_chemical_formula_weight         987.24
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.504(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3808(15)
_cell_length_b                   32.987(4)
_cell_length_c                   12.6875(16)
_cell_measurement_reflns_used    5241
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.39
_cell_volume                     4400.4(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_sigmaI/netI    0.0705
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            21190
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.612
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2020
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.528
_refine_diff_density_min         -0.836
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0508
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0630P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1134
_reflns_number_gt                5680
_reflns_number_total             7613
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800018d-file006.cif
_cod_data_source_block           wai93
_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_database_code               4304918
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ru1 Ru 0.51363(3) 0.569283(10) 0.58578(3) 0.01413(11) Uani 1 1 d . . .
Cl1 Cl 0.39666(10) 0.52141(3) 0.63955(9) 0.0225(3) Uani 1 1 d . . .
P1 P 0.59257(10) 0.65347(3) 0.50077(9) 0.0157(2) Uani 1 1 d . . .
P2 P 0.36062(10) 0.65209(3) 0.53398(9) 0.0156(2) Uani 1 1 d . . .
P3 P 0.70032(10) 0.59496(3) 0.83535(9) 0.0161(2) Uani 1 1 d . . .
P4 P 0.79337(10) 0.53449(3) 0.72529(9) 0.0150(2) Uani 1 1 d . . .
O1 O 0.6198(3) 0.60961(9) 0.5366(2) 0.0193(7) Uani 1 1 d . . .
O2 O 0.3584(2) 0.60604(9) 0.5294(2) 0.0180(7) Uani 1 1 d . . .
O3 O 0.5687(3) 0.59661(9) 0.7395(2) 0.0191(7) Uani 1 1 d . . .
O4 O 0.6625(2) 0.52949(8) 0.6283(2) 0.0165(6) Uani 1 1 d . . .
O5 O 0.4537(3) 0.54406(9) 0.4253(2) 0.0203(7) Uani 1 1 d . . .
H5B H 0.4045 0.5242 0.4216 0.024 Uiso 1 1 d R . .
H5C H 0.5179 0.5349 0.4143 0.024 Uiso 1 1 d R . .
N1 N 0.4761(3) 0.67459(11) 0.5191(3) 0.0186(8) Uani 1 1 d . . .
N2 N 0.8064(3) 0.56945(11) 0.8135(3) 0.0200(8) Uani 1 1 d . . .
C1 C 0.7337(4) 0.68289(13) 0.5709(3) 0.0181(10) Uani 1 1 d . . .
C2 C 0.8518(4) 0.66474(15) 0.5958(4) 0.0240(10) Uani 1 1 d . . .
H2A H 0.8571 0.6366 0.5824 0.029 Uiso 1 1 calc R . .
C3 C 0.9615(5) 0.68780(16) 0.6402(4) 0.0315(12) Uani 1 1 d . . .
H3A H 1.0420 0.6754 0.6568 0.038 Uiso 1 1 calc R . .
C4 C 0.9547(5) 0.72825(17) 0.6605(4) 0.0355(13) Uani 1 1 d . . .
H4A H 1.0303 0.7439 0.6913 0.043 Uiso 1 1 calc R . .
C5 C 0.8375(5) 0.74647(15) 0.6361(4) 0.0305(12) Uani 1 1 d . . .
H5A H 0.8325 0.7747 0.6487 0.037 Uiso 1 1 calc R . .
C6 C 0.7279(4) 0.72344(14) 0.5934(4) 0.0241(11) Uani 1 1 d . . .
H6A H 0.6478 0.7357 0.5795 0.029 Uiso 1 1 calc R . .
C7 C 0.5680(4) 0.65473(13) 0.3499(4) 0.0204(10) Uani 1 1 d . . .
C8 C 0.4729(4) 0.63092(15) 0.2754(4) 0.0278(11) Uani 1 1 d . . .
H8A H 0.4210 0.6149 0.3025 0.033 Uiso 1 1 calc R . .
C9 C 0.4536(5) 0.63050(16) 0.1622(4) 0.0331(12) Uani 1 1 d . . .
H9A H 0.3854 0.6150 0.1105 0.040 Uiso 1 1 calc R . .
C10 C 0.5309(5) 0.65200(16) 0.1217(4) 0.0304(12) Uani 1 1 d . . .
H10A H 0.5198 0.6500 0.0438 0.036 Uiso 1 1 calc R . .
C11 C 0.6255(5) 0.67668(16) 0.1958(4) 0.0315(12) Uani 1 1 d . . .
H11A H 0.6775 0.6925 0.1682 0.038 Uiso 1 1 calc R . .
C12 C 0.6436(4) 0.67807(14) 0.3097(4) 0.0239(10) Uani 1 1 d . . .
H12A H 0.7078 0.6950 0.3607 0.029 Uiso 1 1 calc R . .
C13 C 0.2137(4) 0.66734(13) 0.4216(4) 0.0186(10) Uani 1 1 d . . .
C14 C 0.0987(4) 0.65720(15) 0.4279(4) 0.0268(11) Uani 1 1 d . . .
H14A H 0.0974 0.6455 0.4958 0.032 Uiso 1 1 calc R . .
C15 C -0.0152(5) 0.66392(16) 0.3357(4) 0.0340(12) Uani 1 1 d . . .
H15A H -0.0937 0.6563 0.3401 0.041 Uiso 1 1 calc R . .
C16 C -0.0132(4) 0.68180(14) 0.2374(4) 0.0246(11) Uani 1 1 d . . .
H16A H -0.0906 0.6864 0.1741 0.030 Uiso 1 1 calc R . .
C17 C 0.1005(4) 0.69282(13) 0.2316(4) 0.0250(11) Uani 1 1 d . . .
H17A H 0.1013 0.7055 0.1646 0.030 Uiso 1 1 calc R . .
C18 C 0.2139(4) 0.68565(12) 0.3226(4) 0.0206(10) Uani 1 1 d . . .
H18A H 0.2922 0.6932 0.3176 0.025 Uiso 1 1 calc R . .
C19 C 0.3458(4) 0.66814(13) 0.6646(3) 0.0187(10) Uani 1 1 d . . .
C20 C 0.3117(4) 0.64053(14) 0.7299(4) 0.0236(10) Uani 1 1 d . . .
H20A H 0.2994 0.6128 0.7079 0.028 Uiso 1 1 calc R . .
C21 C 0.2957(5) 0.65325(17) 0.8266(4) 0.0316(12) Uani 1 1 d . . .
H21A H 0.2720 0.6343 0.8713 0.038 Uiso 1 1 calc R . .
C22 C 0.3139(5) 0.69356(18) 0.8592(4) 0.0389(14) Uani 1 1 d . . .
H22A H 0.3018 0.7023 0.9257 0.047 Uiso 1 1 calc R . .
C23 C 0.3493(5) 0.72065(15) 0.7953(4) 0.0317(12) Uani 1 1 d . . .
H23A H 0.3631 0.7482 0.8183 0.038 Uiso 1 1 calc R . .
C24 C 0.3649(4) 0.70840(15) 0.6988(4) 0.0272(11) Uani 1 1 d . . .
H24A H 0.3890 0.7275 0.6548 0.033 Uiso 1 1 calc R . .
C25 C 0.6796(5) 0.57695(13) 0.9601(4) 0.0249(11) Uani 1 1 d . . .
C26 C 0.5630(6) 0.56209(15) 0.9533(5) 0.0397(14) Uani 1 1 d . . .
H26A H 0.4918 0.5623 0.8827 0.048 Uiso 1 1 calc R . .
C27 C 0.5511(8) 0.54666(18) 1.0525(6) 0.066(2) Uani 1 1 d . . .
H27A H 0.4723 0.5360 1.0492 0.079 Uiso 1 1 calc R . .
C28 C 0.6562(9) 0.5473(2) 1.1550(6) 0.070(2) Uani 1 1 d . . .
H28A H 0.6487 0.5373 1.2224 0.084 Uiso 1 1 calc R . .
C29 C 0.7697(8) 0.5621(2) 1.1597(5) 0.069(2) Uani 1 1 d . . .
H29A H 0.8414 0.5618 1.2299 0.083 Uiso 1 1 calc R . .
C30 C 0.7814(6) 0.57736(18) 1.0639(4) 0.0470(16) Uani 1 1 d . . .
H30A H 0.8604 0.5884 1.0688 0.056 Uiso 1 1 calc R . .
C31 C 0.7620(4) 0.64557(13) 0.8715(3) 0.0198(10) Uani 1 1 d . . .
C32 C 0.6859(4) 0.67515(13) 0.8911(4) 0.0223(10) Uani 1 1 d . . .
H32A H 0.6013 0.6688 0.8824 0.027 Uiso 1 1 calc R . .
C33 C 0.7326(5) 0.71382(14) 0.9231(4) 0.0294(12) Uani 1 1 d . . .
H33A H 0.6810 0.7340 0.9375 0.035 Uiso 1 1 calc R . .
C34 C 0.8561(5) 0.72287(14) 0.9341(4) 0.0270(11) Uani 1 1 d . . .
H34A H 0.8889 0.7494 0.9559 0.032 Uiso 1 1 calc R . .
C35 C 0.9309(5) 0.69370(14) 0.9136(4) 0.0271(11) Uani 1 1 d . . .
H35A H 1.0149 0.7002 0.9208 0.033 Uiso 1 1 calc R . .
C36 C 0.8843(4) 0.65492(14) 0.8825(4) 0.0224(10) Uani 1 1 d . . .
H36A H 0.9364 0.6348 0.8688 0.027 Uiso 1 1 calc R . .
C37 C 0.8305(4) 0.48604(13) 0.7951(4) 0.0195(10) Uani 1 1 d . . .
C38 C 0.8359(5) 0.48061(15) 0.9054(4) 0.0346(12) Uani 1 1 d . . .
H38A H 0.8263 0.5031 0.9483 0.042 Uiso 1 1 calc R . .
C39 C 0.8554(6) 0.44218(16) 0.9518(5) 0.0454(15) Uani 1 1 d . . .
H39A H 0.8599 0.4384 1.0275 0.054 Uiso 1 1 calc R . .
C40 C 0.8683(5) 0.40959(15) 0.8918(4) 0.0349(13) Uani 1 1 d . . .
H40A H 0.8787 0.3832 0.9242 0.042 Uiso 1 1 calc R . .
C41 C 0.8663(5) 0.41495(15) 0.7844(4) 0.0324(12) Uani 1 1 d . . .
H41A H 0.8784 0.3923 0.7432 0.039 Uiso 1 1 calc R . .
C42 C 0.8469(4) 0.45288(14) 0.7352(4) 0.0268(11) Uani 1 1 d . . .
H42A H 0.8448 0.4563 0.6601 0.032 Uiso 1 1 calc R . .
C43 C 0.9079(4) 0.54136(13) 0.6613(4) 0.0173(9) Uani 1 1 d . . .
C44 C 1.0360(4) 0.53447(16) 0.7261(4) 0.0308(12) Uani 1 1 d . . .
H44A H 1.0616 0.5249 0.8022 0.037 Uiso 1 1 calc R . .
C45 C 1.1251(5) 0.54155(16) 0.6802(4) 0.0363(13) Uani 1 1 d . . .
H45A H 1.2125 0.5370 0.7250 0.044 Uiso 1 1 calc R . .
C46 C 1.0888(4) 0.55537(15) 0.5686(4) 0.0283(11) Uani 1 1 d . . .
H46A H 1.1512 0.5609 0.5378 0.034 Uiso 1 1 calc R . .
C47 C 0.9616(5) 0.56096(15) 0.5032(4) 0.0302(12) Uani 1 1 d . . .
H47A H 0.9359 0.5699 0.4264 0.036 Uiso 1 1 calc R . .
C48 C 0.8711(4) 0.55358(14) 0.5494(4) 0.0241(10) Uani 1 1 d . . .
H48A H 0.7834 0.5570 0.5037 0.029 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O3 Ru1 O2 88.87(11) . . ?
O3 Ru1 O4 96.46(11) . . ?
O2 Ru1 O4 174.63(11) . . ?
O3 Ru1 O1 90.19(12) . . ?
O2 Ru1 O1 92.27(11) . . ?
O4 Ru1 O1 88.38(11) . . ?
O3 Ru1 O5 177.19(11) . . ?
O2 Ru1 O5 88.78(11) . . ?
O4 Ru1 O5 85.91(11) . . ?
O1 Ru1 O5 88.38(12) . . ?
O3 Ru1 Cl1 91.17(9) . . ?
O2 Ru1 Cl1 89.45(8) . . ?
O4 Ru1 Cl1 89.79(8) . . ?
O1 Ru1 Cl1 177.83(9) . . ?
O5 Ru1 Cl1 90.33(9) . . ?
O1 P1 N1 117.46(18) . . ?
O1 P1 C1 109.09(19) . . ?
N1 P1 C1 109.2(2) . . ?
O1 P1 C7 105.56(18) . . ?
N1 P1 C7 109.95(19) . . ?
C1 P1 C7 104.83(19) . . ?
O2 P2 N1 117.78(17) . . ?
O2 P2 C13 104.57(18) . . ?
N1 P2 C13 109.6(2) . . ?
O2 P2 C19 108.77(18) . . ?
N1 P2 C19 110.2(2) . . ?
C13 P2 C19 105.03(19) . . ?
O3 P3 N2 117.50(18) . . ?
O3 P3 C25 107.2(2) . . ?
N2 P3 C25 110.3(2) . . ?
O3 P3 C31 109.75(18) . . ?
N2 P3 C31 106.8(2) . . ?
C25 P3 C31 104.7(2) . . ?
O4 P4 N2 116.58(17) . . ?
O4 P4 C43 107.48(18) . . ?
N2 P4 C43 110.0(2) . . ?
O4 P4 C37 105.82(18) . . ?
N2 P4 C37 111.1(2) . . ?
C43 P4 C37 105.1(2) . . ?
P1 O1 Ru1 129.51(17) . . ?
P2 O2 Ru1 125.67(16) . . ?
P3 O3 Ru1 126.92(17) . . ?
P4 O4 Ru1 126.43(16) . . ?
P2 N1 P1 126.1(2) . . ?
P4 N2 P3 130.1(2) . . ?
C6 C1 C2 119.4(4) . . ?
C6 C1 P1 121.6(3) . . ?
C2 C1 P1 118.9(3) . . ?
C3 C2 C1 119.8(4) . . ?
C4 C3 C2 120.4(5) . . ?
C3 C4 C5 120.0(5) . . ?
C6 C5 C4 119.8(5) . . ?
C1 C6 C5 120.5(4) . . ?
C8 C7 C12 119.9(4) . . ?
C8 C7 P1 118.1(3) . . ?
C12 C7 P1 122.0(3) . . ?
C9 C8 C7 119.7(5) . . ?
C8 C9 C10 121.3(5) . . ?
C9 C10 C11 119.4(4) . . ?
C12 C11 C10 119.6(5) . . ?
C11 C12 C7 120.1(5) . . ?
C14 C13 C18 119.0(4) . . ?
C14 C13 P2 119.9(3) . . ?
C18 C13 P2 120.8(3) . . ?
C13 C14 C15 120.7(4) . . ?
C16 C15 C14 119.5(5) . . ?
C17 C16 C15 120.0(4) . . ?
C16 C17 C18 120.5(4) . . ?
C17 C18 C13 120.2(4) . . ?
C20 C19 C24 119.3(4) . . ?
C20 C19 P2 120.2(3) . . ?
C24 C19 P2 120.5(3) . . ?
C21 C20 C19 119.8(5) . . ?
C20 C21 C22 120.3(5) . . ?
C23 C22 C21 119.7(5) . . ?
C24 C23 C22 120.5(5) . . ?
C23 C24 C19 120.3(5) . . ?
C30 C25 C26 119.8(5) . . ?
C30 C25 P3 119.6(4) . . ?
C26 C25 P3 120.6(4) . . ?
C25 C26 C27 119.2(6) . . ?
C28 C27 C26 119.2(7) . . ?
C29 C28 C27 120.6(6) . . ?
C28 C29 C30 120.4(7) . . ?
C29 C30 C25 120.8(6) . . ?
C36 C31 C32 119.9(4) . . ?
C36 C31 P3 120.8(3) . . ?
C32 C31 P3 119.2(3) . . ?
C33 C32 C31 120.4(4) . . ?
C32 C33 C34 119.2(4) . . ?
C35 C34 C33 120.4(4) . . ?
C34 C35 C36 120.3(5) . . ?
C31 C36 C35 119.8(4) . . ?
C42 C37 C38 119.2(4) . . ?
C42 C37 P4 119.2(3) . . ?
C38 C37 P4 121.5(4) . . ?
C39 C38 C37 119.1(5) . . ?
C40 C39 C38 121.5(5) . . ?
C39 C40 C41 119.6(5) . . ?
C40 C41 C42 120.5(5) . . ?
C41 C42 C37 120.0(5) . . ?
C48 C43 C44 119.6(4) . . ?
C48 C43 P4 121.1(3) . . ?
C44 C43 P4 119.3(3) . . ?
C45 C44 C43 120.0(4) . . ?
C44 C45 C46 120.6(5) . . ?
C47 C46 C45 119.4(4) . . ?
C46 C47 C48 120.0(4) . . ?
C43 C48 C47 120.3(4) . . ?
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
Ru1 O3 2.018(3) . ?
Ru1 O2 2.033(3) . ?
Ru1 O4 2.046(3) . ?
Ru1 O1 2.048(3) . ?
Ru1 O5 2.060(3) . ?
Ru1 Cl1 2.3294(11) . ?
P1 O1 1.513(3) . ?
P1 N1 1.590(4) . ?
P1 C1 1.794(4) . ?
P1 C7 1.826(4) . ?
P2 O2 1.520(3) . ?
P2 N1 1.583(4) . ?
P2 C13 1.805(4) . ?
P2 C19 1.809(4) . ?
P3 O3 1.527(3) . ?
P3 N2 1.581(4) . ?
P3 C25 1.789(5) . ?
P3 C31 1.801(5) . ?
P4 O4 1.535(3) . ?
P4 N2 1.574(4) . ?
P4 C43 1.794(4) . ?
P4 C37 1.797(4) . ?
C1 C6 1.375(6) . ?
C1 C2 1.393(6) . ?
C2 C3 1.384(6) . ?
C3 C4 1.367(7) . ?
C4 C5 1.386(7) . ?
C5 C6 1.382(6) . ?
C7 C8 1.379(6) . ?
C7 C12 1.389(6) . ?
C8 C9 1.367(6) . ?
C9 C10 1.373(7) . ?
C10 C11 1.390(7) . ?
C11 C12 1.381(6) . ?
C13 C14 1.382(6) . ?
C13 C18 1.394(6) . ?
C14 C15 1.391(6) . ?
C15 C16 1.387(6) . ?
C16 C17 1.373(6) . ?
C17 C18 1.384(6) . ?
C19 C20 1.383(6) . ?
C19 C24 1.388(6) . ?
C20 C21 1.373(6) . ?
C21 C22 1.384(7) . ?
C22 C23 1.367(7) . ?
C23 C24 1.364(6) . ?
C25 C30 1.381(7) . ?
C25 C26 1.386(7) . ?
C26 C27 1.411(8) . ?
C27 C28 1.390(10) . ?
C28 C29 1.361(10) . ?
C29 C30 1.368(8) . ?
C31 C36 1.380(6) . ?
C31 C32 1.388(6) . ?
C32 C33 1.382(6) . ?
C33 C34 1.390(7) . ?
C34 C35 1.374(7) . ?
C35 C36 1.383(6) . ?
C37 C42 1.385(6) . ?
C37 C38 1.388(7) . ?
C38 C39 1.380(7) . ?
C39 C40 1.358(7) . ?
C40 C41 1.365(7) . ?
C41 C42 1.378(6) . ?
C43 C48 1.377(6) . ?
C43 C44 1.391(6) . ?
C44 C45 1.369(7) . ?
C45 C46 1.392(7) . ?
C46 C47 1.378(7) . ?
C47 C48 1.389(6) . ?
