#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:16:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179053 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/15/4301573.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_4301573
loop_
_publ_author_name
'Ameli Dreher'
'Klaus Mersmann'
'Christian Näther'
'Ivana Ivanovic-Burmazovic'
'Rudi van Eldik'
'Felix Tuczek'
_publ_section_title
;
Structural, Spectroscopic, and Kinetic Investigation of the Molybdenum
Dialkylhydrazido Complexes [MoBr(NNC5H10)(dppe)2]Br and
[Mo(NNC5H10)(dppe)2]: Activation Parameters and Revised Mechanism for N-N
Cleavage
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2078
_journal_page_last               2093
_journal_paper_doi               10.1021/ic801952v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C57 H58 Mo N2 P4'
_chemical_formula_weight         990.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 108.954(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3478(13)
_cell_length_b                   19.9745(16)
_cell_length_c                   16.6728(13)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      11
_cell_volume                     5149.1(8)
_computing_cell_refinement       'STOE IPDS-1 program package'
_computing_data_collection       'STOE IPDS-1 program package'
_computing_data_reduction        'STOE IPDS-1 program package'
_computing_molecular_graphics    'XP in SHELXTL-PC'
_computing_publication_material  'XCIF in SHELXTL-PC'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'STOE IPDS-1'
_diffrn_measurement_method       Phi-scans
_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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21991
_diffrn_reflns_theta_full        26.88
_diffrn_reflns_theta_max         26.88
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.417
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.350
_refine_diff_density_min         -0.698
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       0.0023(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         5504
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0327
_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)+(0.0575P)²+1.1851P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0836
_refine_ls_wR_factor_ref         0.0863
_reflns_number_gt                4792
_reflns_number_total             5504
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801952v_si_001.cif
_cod_data_source_block           felix39
_cod_original_cell_volume        5149.1(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4301573
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'
'-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
Mo1 Mo 0.5000 0.676258(10) 0.7500 0.01911(9) Uani 1 2 d S . .
N1 N 0.5000 0.58583(10) 0.7500 0.0263(5) Uani 1 2 d S . .
N2 N 0.5000 0.51954(12) 0.7500 0.0493(7) Uani 1 2 d SD . .
C1 C 0.4310(3) 0.4792(2) 0.7272(4) 0.0448(13) Uani 0.50 1 d PD . .
H1A H 0.4092 0.4749 0.6653 0.054 Uiso 0.50 1 d PR . .
H1B H 0.3857 0.5003 0.7451 0.054 Uiso 0.50 1 d PR . .
C2 C 0.4491(5) 0.4107(3) 0.7672(5) 0.0535(14) Uani 0.50 1 d PD . .
H2A H 0.3968 0.3832 0.7466 0.064 Uiso 0.50 1 d PR . .
H2B H 0.4648 0.4142 0.8290 0.064 Uiso 0.50 1 d PR . .
C3 C 0.5222(4) 0.3770(3) 0.7448(5) 0.0530(16) Uani 0.50 1 d PD . .
H3A H 0.5048 0.3703 0.6833 0.064 Uiso 0.50 1 d PR . .
H3B H 0.5343 0.3330 0.7721 0.064 Uiso 0.50 1 d PR . .
C4 C 0.6026(4) 0.4205(2) 0.7730(4) 0.0464(12) Uani 0.50 1 d PD . .
H4A H 0.6482 0.3996 0.7552 0.056 Uiso 0.50 1 d PR . .
H4B H 0.6233 0.4235 0.8350 0.056 Uiso 0.50 1 d PR . .
C5 C 0.5829(3) 0.4900(2) 0.7352(4) 0.0364(10) Uani 0.50 1 d PD . .
H5A H 0.6320 0.5195 0.7624 0.044 Uiso 0.50 1 d PR . .
H5B H 0.5747 0.4884 0.6744 0.044 Uiso 0.50 1 d PR . .
P1 P 0.45873(3) 0.69006(2) 0.59619(3) 0.02374(12) Uani 1 1 d . . .
C11 C 0.39894(12) 0.76977(9) 0.56534(13) 0.0292(4) Uani 1 1 d . . .
H11A H 0.4389 0.8077 0.5822 0.035 Uiso 1 1 calc R . .
H11B H 0.3710 0.7713 0.5037 0.035 Uiso 1 1 calc R . .
C12 C 0.33117(12) 0.77372(10) 0.60981(12) 0.0296(4) Uani 1 1 d . . .
H12A H 0.2829 0.7439 0.5813 0.035 Uiso 1 1 calc R . .
H12B H 0.3086 0.8195 0.6057 0.035 Uiso 1 1 calc R . .
P2 P 0.37725(3) 0.74938(2) 0.72458(3) 0.02326(12) Uani 1 1 d . . .
C21 C 0.37762(11) 0.62893(9) 0.53389(12) 0.0272(4) Uani 1 1 d . . .
C22 C 0.32169(14) 0.60032(11) 0.57087(14) 0.0394(5) Uani 1 1 d . . .
H22 H 0.3278 0.6105 0.6276 0.047 Uiso 1 1 calc R . .
C23 C 0.25674(16) 0.55693(13) 0.52611(17) 0.0499(6) Uani 1 1 d . . .
H23 H 0.2188 0.5386 0.5522 0.060 Uiso 1 1 calc R . .
C24 C 0.24773(15) 0.54074(11) 0.44389(16) 0.0465(6) Uani 1 1 d . . .
H24 H 0.2038 0.5112 0.4135 0.056 Uiso 1 1 calc R . .
C25 C 0.30319(15) 0.56784(12) 0.40599(15) 0.0439(5) Uani 1 1 d . . .
H25 H 0.2976 0.5564 0.3498 0.053 Uiso 1 1 calc R . .
C26 C 0.36755(13) 0.61204(11) 0.45039(13) 0.0353(4) Uani 1 1 d . . .
H26 H 0.4047 0.6307 0.4236 0.042 Uiso 1 1 calc R . .
C31 C 0.53368(12) 0.69047(11) 0.53452(13) 0.0334(4) Uani 1 1 d . . .
C32 C 0.58528(14) 0.63450(14) 0.53871(15) 0.0476(6) Uani 1 1 d . . .
H32 H 0.5794 0.5971 0.5707 0.057 Uiso 1 1 calc R . .
C33 C 0.64564(17) 0.63320(18) 0.49595(18) 0.0652(8) Uani 1 1 d . . .
H33 H 0.6797 0.5948 0.4986 0.078 Uiso 1 1 calc R . .
C34 C 0.65559(17) 0.68788(18) 0.44979(19) 0.0652(9) Uani 1 1 d . . .
H34 H 0.6976 0.6874 0.4224 0.078 Uiso 1 1 calc R . .
C35 C 0.60446(18) 0.74272(17) 0.44390(18) 0.0608(8) Uani 1 1 d . . .
H35 H 0.6105 0.7798 0.4115 0.073 Uiso 1 1 calc R . .
C36 C 0.54290(15) 0.74423(13) 0.48585(16) 0.0461(6) Uani 1 1 d . . .
H36 H 0.5075 0.7821 0.4809 0.055 Uiso 1 1 calc R . .
C41 C 0.37405(11) 0.83051(9) 0.77710(14) 0.0308(4) Uani 1 1 d . . .
C42 C 0.40136(13) 0.88871(10) 0.74651(16) 0.0405(5) Uani 1 1 d . . .
H42 H 0.4158 0.8870 0.6964 0.049 Uiso 1 1 calc R . .
C43 C 0.40722(16) 0.94868(12) 0.7894(2) 0.0555(7) Uani 1 1 d . . .
H43 H 0.4254 0.9874 0.7679 0.067 Uiso 1 1 calc R . .
C44 C 0.38692(18) 0.95246(13) 0.8626(2) 0.0677(9) Uani 1 1 d . . .
H44 H 0.3919 0.9933 0.8919 0.081 Uiso 1 1 calc R . .
C45 C 0.35898(19) 0.89558(15) 0.8933(2) 0.0639(8) Uani 1 1 d . . .
H45 H 0.3445 0.8978 0.9434 0.077 Uiso 1 1 calc R . .
C46 C 0.35230(15) 0.83520(12) 0.85046(16) 0.0436(5) Uani 1 1 d . . .
H46 H 0.3327 0.7970 0.8716 0.052 Uiso 1 1 calc R . .
C51 C 0.27807(11) 0.71141(10) 0.73697(12) 0.0277(4) Uani 1 1 d . . .
C52 C 0.19910(13) 0.74546(11) 0.71387(16) 0.0396(5) Uani 1 1 d . . .
H52 H 0.1958 0.7899 0.6946 0.047 Uiso 1 1 calc R . .
C53 C 0.12552(13) 0.71388(14) 0.71931(17) 0.0497(6) Uani 1 1 d . . .
H53 H 0.0725 0.7369 0.7033 0.060 Uiso 1 1 calc R . .
C54 C 0.12975(15) 0.64916(14) 0.74796(18) 0.0527(6) Uani 1 1 d . . .
H54 H 0.0798 0.6281 0.7520 0.063 Uiso 1 1 calc R . .
C55 C 0.20704(15) 0.61496(13) 0.77086(18) 0.0497(6) Uani 1 1 d . . .
H55 H 0.2099 0.5705 0.7901 0.060 Uiso 1 1 calc R . .
C56 C 0.28068(12) 0.64649(11) 0.76539(14) 0.0349(4) Uani 1 1 d . . .
H56 H 0.3334 0.6230 0.7814 0.042 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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
N1 Mo1 P2 127.384(12) . 2_656 ?
N1 Mo1 P2 127.384(12) . . ?
P2 Mo1 P2 105.23(2) 2_656 . ?
N1 Mo1 P1 96.470(12) . 2_656 ?
P2 Mo1 P1 79.433(18) 2_656 2_656 ?
P2 Mo1 P1 92.668(18) . 2_656 ?
N1 Mo1 P1 96.470(12) . . ?
P2 Mo1 P1 92.668(18) 2_656 . ?
P2 Mo1 P1 79.433(18) . . ?
P1 Mo1 P1 167.06(2) 2_656 . ?
N2 N1 Mo1 180.0 . . ?
N1 N2 C1 127.1(2) . . ?
N1 N2 C1 127.1(2) . 2_656 ?
C1 N2 C1 105.9(5) . 2_656 ?
N1 N2 C5 112.07(19) . 2_656 ?
C1 N2 C5 114.9(3) 2_656 2_656 ?
N1 N2 C5 112.1(2) . . ?
C1 N2 C5 114.9(3) . . ?
N2 C1 C2 113.3(5) . . ?
N2 C1 H1A 109.7 . . ?
C2 C1 H1A 109.7 . . ?
N2 C1 H1B 107.8 . . ?
C2 C1 H1B 108.4 . . ?
H1A C1 H1B 107.8 . . ?
C1 C2 C3 110.5(5) . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2B 110.2 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.1 . . ?
C4 C3 C2 110.0(5) . . ?
C4 C3 H3A 109.2 . . ?
C2 C3 H3A 109.5 . . ?
C4 C3 H3B 110.2 . . ?
C2 C3 H3B 109.8 . . ?
H3A C3 H3B 108.1 . . ?
C5 C4 C3 110.5(5) . . ?
C5 C4 H4A 110.2 . . ?
C3 C4 H4A 109.2 . . ?
C5 C4 H4B 109.7 . . ?
C3 C4 H4B 109.1 . . ?
H4A C4 H4B 108.1 . . ?
C4 C5 N2 110.9(4) . . ?
C4 C5 H5A 109.1 . . ?
N2 C5 H5A 108.7 . . ?
C4 C5 H5B 109.8 . . ?
N2 C5 H5B 109.9 . . ?
H5A C5 H5B 108.3 . . ?
C31 P1 C11 103.21(9) . . ?
C31 P1 C21 100.08(9) . . ?
C11 P1 C21 101.18(8) . . ?
C31 P1 Mo1 125.46(6) . . ?
C11 P1 Mo1 109.21(7) . . ?
C21 P1 Mo1 114.64(6) . . ?
C12 C11 P1 108.14(13) . . ?
C12 C11 H11A 110.1 . . ?
P1 C11 H11A 110.1 . . ?
C12 C11 H11B 110.1 . . ?
P1 C11 H11B 110.1 . . ?
H11A C11 H11B 108.4 . . ?
C11 C12 P2 111.60(12) . . ?
C11 C12 H12A 109.3 . . ?
P2 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
P2 C12 H12B 109.3 . . ?
H12A C12 H12B 108.0 . . ?
C41 P2 C51 98.32(9) . . ?
C41 P2 C12 101.06(9) . . ?
C51 P2 C12 98.22(9) . . ?
C41 P2 Mo1 126.76(6) . . ?
C51 P2 Mo1 116.10(6) . . ?
C12 P2 Mo1 111.85(6) . . ?
C22 C21 C26 117.81(18) . . ?
C22 C21 P1 118.64(15) . . ?
C26 C21 P1 123.51(15) . . ?
C21 C22 C23 121.4(2) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 119.7(2) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 120.3(2) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 120.7(2) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
C36 C31 C32 118.3(2) . . ?
C36 C31 P1 123.44(17) . . ?
C32 C31 P1 118.22(17) . . ?
C31 C32 C33 120.6(3) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 119.8(3) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 120.6(3) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C46 C41 C42 118.0(2) . . ?
C46 C41 P2 122.18(16) . . ?
C42 C41 P2 119.57(17) . . ?
C43 C42 C41 120.5(2) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 C42 120.9(3) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C43 C44 C45 119.3(2) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C44 C45 C46 120.3(3) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 120.9(2) . . ?
C41 C46 H46 119.5 . . ?
C45 C46 H46 119.5 . . ?
C56 C51 C52 118.40(18) . . ?
C56 C51 P2 119.43(14) . . ?
C52 C51 P2 122.07(15) . . ?
C53 C52 C51 120.2(2) . . ?
C53 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C54 C53 C52 120.3(2) . . ?
C54 C53 H53 119.8 . . ?
C52 C53 H53 119.8 . . ?
C53 C54 C55 120.1(2) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C54 C55 C56 119.6(2) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C51 C56 C55 121.31(19) . . ?
C51 C56 H56 119.3 . . ?
C55 C56 H56 119.3 . . ?
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
Mo1 N1 1.806(2) . ?
Mo1 P2 2.4057(5) 2_656 ?
Mo1 P2 2.4056(5) . ?
Mo1 P1 2.4462(5) 2_656 ?
Mo1 P1 2.4462(5) . ?
N1 N2 1.324(3) . ?
N2 C1 1.336(5) . ?
N2 C1 1.336(5) 2_656 ?
N2 C5 1.569(5) 2_656 ?
N2 C5 1.569(5) . ?
C1 C2 1.508(7) . ?
C1 H1A 0.9801 . ?
C1 H1B 0.9801 . ?
C2 C3 1.520(7) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 C4 1.518(7) . ?
C3 H3A 0.9801 . ?
C3 H3B 0.9800 . ?
C4 C5 1.516(6) . ?
C4 H4A 0.9799 . ?
C4 H4B 0.9799 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
P1 C31 1.838(2) . ?
P1 C11 1.8516(19) . ?
P1 C21 1.8528(19) . ?
C11 C12 1.522(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 P2 1.879(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
P2 C41 1.8507(19) . ?
P2 C51 1.8613(19) . ?
C21 C22 1.382(3) . ?
C21 C26 1.389(3) . ?
C22 C23 1.386(3) . ?
C22 H22 0.9400 . ?
C23 C24 1.369(4) . ?
C23 H23 0.9400 . ?
C24 C25 1.373(3) . ?
C24 H24 0.9400 . ?
C25 C26 1.389(3) . ?
C25 H25 0.9400 . ?
C26 H26 0.9400 . ?
C31 C36 1.383(3) . ?
C31 C32 1.389(3) . ?
C32 C33 1.393(3) . ?
C32 H32 0.9400 . ?
C33 C34 1.376(4) . ?
C33 H33 0.9400 . ?
C34 C35 1.362(4) . ?
C34 H34 0.9400 . ?
C35 C36 1.400(3) . ?
C35 H35 0.9400 . ?
C36 H36 0.9400 . ?
C41 C46 1.383(3) . ?
C41 C42 1.400(3) . ?
C42 C43 1.382(3) . ?
C42 H42 0.9400 . ?
C43 C44 1.368(5) . ?
C43 H43 0.9400 . ?
C44 C45 1.383(4) . ?
C44 H44 0.9400 . ?
C45 C46 1.388(3) . ?
C45 H45 0.9400 . ?
C46 H46 0.9400 . ?
C51 C56 1.377(3) . ?
C51 C52 1.398(3) . ?
C52 C53 1.387(3) . ?
C52 H52 0.9400 . ?
C53 C54 1.372(4) . ?
C53 H53 0.9400 . ?
C54 C55 1.377(4) . ?
C54 H54 0.9400 . ?
C55 C56 1.388(3) . ?
C55 H55 0.9400 . ?
C56 H56 0.9400 . ?
