#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015475.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_7015475
loop_
_publ_author_name
'Römer, René'
'Gradert, Christian'
'Bannwarth, Alexander'
'Peters, Gerhard'
'Näther, Christian'
'Tuczek, Felix'
_publ_section_title
;
 One-step synthesis of Mo(0) and W(0) bis(dinitrogen) complexes with
 the linear tetraphosphine ligand prP4: stereoselective formation of
 cis-[M(N2)2(rac-prP4)] and trans-[M(N2)2(meso-prP4)]; M = Mo, W.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3229
_journal_page_last               3236
_journal_paper_doi               10.1039/c0dt01646b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C43 H44 Mo N4 P4'
_chemical_formula_weight         836.64
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.688(11)
_cell_angle_beta                 90.529(10)
_cell_angle_gamma                112.629(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4885(8)
_cell_length_b                   11.4201(11)
_cell_length_c                   19.3015(17)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      22
_cell_measurement_theta_min      14
_cell_volume                     1927.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'STOE IPDS-1'
_diffrn_measurement_method       'Omega scan'
_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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14373
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.497
_refine_diff_density_min         -1.133
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         7286
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0952
_refine_ls_R_factor_gt           0.0725
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0462P)²+26.8250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1884
_refine_ls_wR_factor_ref         0.2007
_reflns_number_gt                5725
_reflns_number_total             7286
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01646b.txt
_cod_data_source_block           felix65
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7015475
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
Mo1 Mo 0.33341(7) 0.47648(6) 0.74726(3) 0.01284(18) Uani 1 1 d . . .
N1 N 0.1363(8) 0.3880(6) 0.6898(3) 0.0193(14) Uani 1 1 d . . .
N2 N 0.0235(9) 0.3397(7) 0.6617(4) 0.0313(17) Uani 1 1 d . . .
N3 N 0.2139(7) 0.5606(6) 0.8048(3) 0.0181(13) Uani 1 1 d . . .
N4 N 0.1446(9) 0.6036(7) 0.8341(4) 0.0305(17) Uani 1 1 d . . .
P1 P 0.4332(2) 0.66038(18) 0.67374(9) 0.0154(4) Uani 1 1 d . . .
P2 P 0.4824(2) 0.40154(18) 0.66604(9) 0.0162(4) Uani 1 1 d . B .
P3 P 0.5531(2) 0.55774(18) 0.82631(9) 0.0155(4) Uani 1 1 d . B .
P4 P 0.2627(2) 0.30289(18) 0.82627(9) 0.0150(4) Uani 1 1 d . . .
C1 C 0.5889(9) 0.6475(8) 0.6199(4) 0.0230(17) Uani 1 1 d . . .
H1A H 0.6063 0.7030 0.5804 0.028 Uiso 1 1 calc R . .
H1B H 0.6849 0.6748 0.6481 0.028 Uiso 1 1 calc R . .
C2 C 0.5425(10) 0.5106(8) 0.5935(4) 0.0258(18) Uani 1 1 d . . .
H2A H 0.6296 0.5000 0.5701 0.031 Uiso 1 1 calc R . .
H2B H 0.4571 0.4885 0.5591 0.031 Uiso 1 1 calc R . .
C3 C 0.6714(10) 0.4034(9) 0.6906(5) 0.035(2) Uani 1 1 d D . .
H3A H 0.6662 0.3157 0.6818 0.042 Uiso 0.75 1 calc PR A 1
H3B H 0.7447 0.4567 0.6575 0.042 Uiso 0.75 1 calc PR A 1
H3C H 0.6540 0.3262 0.7163 0.042 Uiso 0.25 1 calc PR A 2
H3D H 0.7220 0.3945 0.6472 0.042 Uiso 0.25 1 calc PR A 2
C4 C 0.7413(12) 0.4463(10) 0.7608(5) 0.020(2) Uani 0.75 1 d PD B 1
H4A H 0.8490 0.4547 0.7587 0.024 Uiso 0.75 1 calc PR B 1
H4B H 0.6893 0.3773 0.7920 0.024 Uiso 0.75 1 calc PR B 1
C4' C 0.779(3) 0.510(3) 0.7316(17) 0.047(10) Uiso 0.25 1 d PD B 2
H4C H 0.8234 0.5789 0.6993 0.056 Uiso 0.25 1 calc PR B 2
H4D H 0.8631 0.4839 0.7455 0.056 Uiso 0.25 1 calc PR B 2
C5 C 0.7412(9) 0.5702(9) 0.7954(5) 0.033(2) Uani 1 1 d D . .
H5A H 0.7766 0.6376 0.7618 0.039 Uiso 0.75 1 calc PR B 1
H5B H 0.8152 0.5963 0.8353 0.039 Uiso 0.75 1 calc PR B 1
H5C H 0.8008 0.6624 0.7925 0.039 Uiso 0.25 1 calc PR B 2
H5D H 0.7885 0.5433 0.8343 0.039 Uiso 0.25 1 calc PR B 2
C6 C 0.5320(10) 0.4512(8) 0.8992(4) 0.0242(17) Uani 1 1 d . . .
H6A H 0.6342 0.4570 0.9149 0.029 Uiso 1 1 calc R B .
H6B H 0.4852 0.4798 0.9387 0.029 Uiso 1 1 calc R . .
C7 C 0.4329(9) 0.3132(8) 0.8775(4) 0.0238(17) Uani 1 1 d . B .
H7A H 0.4002 0.2639 0.9194 0.029 Uiso 1 1 calc R . .
H7B H 0.4935 0.2757 0.8495 0.029 Uiso 1 1 calc R . .
C11 C 0.5219(9) 0.8265(7) 0.7086(4) 0.0214(16) Uani 1 1 d . . .
C12 C 0.4527(10) 0.8648(8) 0.7616(5) 0.0288(19) Uani 1 1 d . . .
H12 H 0.3624 0.8054 0.7801 0.035 Uiso 1 1 calc R . .
C13 C 0.5131(11) 0.9909(8) 0.7894(5) 0.034(2) Uani 1 1 d . . .
H13 H 0.4614 1.0171 0.8250 0.041 Uiso 1 1 calc R . .
C14 C 0.6482(11) 1.0769(8) 0.7646(5) 0.036(2) Uani 1 1 d . . .
H14 H 0.6915 1.1617 0.7839 0.043 Uiso 1 1 calc R . .
C15 C 0.7183(11) 1.0375(9) 0.7117(6) 0.044(3) Uani 1 1 d . . .
H15 H 0.8115 1.0950 0.6946 0.053 Uiso 1 1 calc R . .
C16 C 0.6531(11) 0.9136(9) 0.6831(6) 0.041(2) Uani 1 1 d . . .
H16 H 0.7003 0.8888 0.6452 0.049 Uiso 1 1 calc R . .
C21 C 0.2956(9) 0.6716(7) 0.6088(4) 0.0169(15) Uani 1 1 d . . .
C22 C 0.1486(10) 0.6501(8) 0.6293(5) 0.0285(18) Uani 1 1 d . . .
H22 H 0.1235 0.6319 0.6762 0.034 Uiso 1 1 calc R . .
C23 C 0.0376(10) 0.6542(9) 0.5841(5) 0.036(2) Uani 1 1 d . . .
H23 H -0.0616 0.6405 0.6001 0.043 Uiso 1 1 calc R . .
C24 C 0.0713(12) 0.6785(9) 0.5150(5) 0.037(2) Uani 1 1 d . . .
H24 H -0.0045 0.6812 0.4834 0.045 Uiso 1 1 calc R . .
C25 C 0.2152(12) 0.6985(9) 0.4932(4) 0.034(2) Uani 1 1 d . . .
H25 H 0.2385 0.7138 0.4459 0.041 Uiso 1 1 calc R . .
C26 C 0.3275(10) 0.6967(8) 0.5391(4) 0.0256(18) Uani 1 1 d . . .
H26 H 0.4272 0.7127 0.5231 0.031 Uiso 1 1 calc R . .
C31 C 0.3960(9) 0.2514(8) 0.6127(4) 0.0215(16) Uani 1 1 d . . .
C32 C 0.4348(11) 0.1467(8) 0.6154(5) 0.032(2) Uani 1 1 d . B .
H32 H 0.5125 0.1496 0.6476 0.038 Uiso 1 1 calc R . .
C33 C 0.3648(13) 0.0375(9) 0.5728(6) 0.045(3) Uani 1 1 d . . .
H33 H 0.3950 -0.0325 0.5755 0.054 Uiso 1 1 calc R B .
C34 C 0.2498(13) 0.0323(9) 0.5261(5) 0.045(3) Uani 1 1 d . B .
H34 H 0.2025 -0.0410 0.4959 0.054 Uiso 1 1 calc R . .
C35 C 0.2044(11) 0.1324(9) 0.5234(5) 0.037(2) Uani 1 1 d . . .
H35 H 0.1234 0.1267 0.4923 0.044 Uiso 1 1 calc R B .
C36 C 0.2753(10) 0.2419(8) 0.5655(4) 0.0282(18) Uani 1 1 d . B .
H36 H 0.2433 0.3108 0.5628 0.034 Uiso 1 1 calc R . .
C41 C 0.6006(9) 0.7097(7) 0.8766(4) 0.0168(15) Uani 1 1 d . . .
C42 C 0.7311(10) 0.8172(8) 0.8675(5) 0.0274(18) Uani 1 1 d . B .
H42 H 0.8014 0.8139 0.8334 0.033 Uiso 1 1 calc R . .
C43 C 0.7610(12) 0.9281(9) 0.9065(5) 0.038(2) Uani 1 1 d . . .
H43 H 0.8521 1.0000 0.9000 0.045 Uiso 1 1 calc R B .
C44 C 0.6571(13) 0.9355(9) 0.9561(5) 0.040(2) Uani 1 1 d . B .
H44 H 0.6788 1.0116 0.9839 0.048 Uiso 1 1 calc R . .
C45 C 0.5244(12) 0.8326(9) 0.9642(4) 0.034(2) Uani 1 1 d . . .
H45 H 0.4526 0.8378 0.9969 0.041 Uiso 1 1 calc R B .
C46 C 0.4948(10) 0.7211(8) 0.9248(4) 0.0253(17) Uani 1 1 d . B .
H46 H 0.4016 0.6507 0.9302 0.030 Uiso 1 1 calc R . .
C51 C 0.1253(9) 0.3063(7) 0.8928(4) 0.0184(15) Uani 1 1 d . . .
C52 C 0.1574(11) 0.3182(10) 0.9648(4) 0.035(2) Uani 1 1 d . . .
H52 H 0.2534 0.3220 0.9818 0.042 Uiso 1 1 calc R . .
C53 C 0.0489(11) 0.3244(12) 1.0109(5) 0.047(3) Uani 1 1 d . . .
H53 H 0.0722 0.3324 1.0593 0.056 Uiso 1 1 calc R . .
C54 C -0.0907(11) 0.3192(9) 0.9886(5) 0.035(2) Uani 1 1 d . . .
H54 H -0.1630 0.3253 1.0208 0.042 Uiso 1 1 calc R . .
C55 C -0.1247(10) 0.3047(9) 0.9169(5) 0.032(2) Uani 1 1 d . . .
H55 H -0.2221 0.2976 0.9000 0.039 Uiso 1 1 calc R . .
C56 C -0.0155(10) 0.3008(8) 0.8714(4) 0.0253(18) Uani 1 1 d . . .
H56 H -0.0387 0.2940 0.8231 0.030 Uiso 1 1 calc R . .
C61 C 0.1841(9) 0.1308(7) 0.8017(4) 0.0202(16) Uani 1 1 d . . .
C62 C 0.1684(10) 0.0427(8) 0.8515(5) 0.032(2) Uani 1 1 d . . .
H62 H 0.1915 0.0704 0.8989 0.039 Uiso 1 1 calc R . .
C63 C 0.1185(11) -0.0867(9) 0.8319(6) 0.038(2) Uani 1 1 d . . .
H63 H 0.1106 -0.1467 0.8656 0.046 Uiso 1 1 calc R . .
C64 C 0.0807(11) -0.1266(8) 0.7627(6) 0.044(3) Uani 1 1 d . . .
H64 H 0.0479 -0.2143 0.7490 0.052 Uiso 1 1 calc R . .
C65 C 0.0904(11) -0.0404(9) 0.7139(6) 0.039(2) Uani 1 1 d . . .
H65 H 0.0616 -0.0689 0.6669 0.046 Uiso 1 1 calc R . .
C66 C 0.1422(10) 0.0885(8) 0.7330(5) 0.0299(19) Uani 1 1 d . . .
H66 H 0.1490 0.1478 0.6990 0.036 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 N3 86.2(3) . . ?
N1 Mo1 P3 172.02(17) . . ?
N3 Mo1 P3 93.08(19) . . ?
N1 Mo1 P4 91.53(18) . . ?
N3 Mo1 P4 90.14(17) . . ?
P3 Mo1 P4 80.52(7) . . ?
N1 Mo1 P2 92.73(18) . . ?
N3 Mo1 P2 171.22(17) . . ?
P3 Mo1 P2 89.21(7) . . ?
P4 Mo1 P2 98.60(7) . . ?
N1 Mo1 P1 94.70(17) . . ?
N3 Mo1 P1 91.51(17) . . ?
P3 Mo1 P1 93.27(7) . . ?
P4 Mo1 P1 173.65(7) . . ?
P2 Mo1 P1 79.89(6) . . ?
N2 N1 Mo1 175.8(6) . . ?
N4 N3 Mo1 177.3(7) . . ?
C11 P1 C21 101.3(3) . . ?
C11 P1 C1 101.2(4) . . ?
C21 P1 C1 103.3(4) . . ?
C11 P1 Mo1 123.6(3) . . ?
C21 P1 Mo1 115.3(2) . . ?
C1 P1 Mo1 109.6(3) . . ?
C3 P2 C31 102.7(4) . . ?
C3 P2 C2 98.1(4) . . ?
C31 P2 C2 97.6(4) . . ?
C3 P2 Mo1 121.9(3) . . ?
C31 P2 Mo1 122.2(3) . . ?
C2 P2 Mo1 109.2(3) . . ?
C41 P3 C5 102.2(4) . . ?
C41 P3 C6 99.3(3) . . ?
C5 P3 C6 99.9(4) . . ?
C41 P3 Mo1 120.9(3) . . ?
C5 P3 Mo1 119.5(3) . . ?
C6 P3 Mo1 111.4(3) . . ?
C7 P4 C61 99.2(4) . . ?
C7 P4 C51 103.7(4) . . ?
C61 P4 C51 99.5(3) . . ?
C7 P4 Mo1 109.7(3) . . ?
C61 P4 Mo1 126.7(3) . . ?
C51 P4 Mo1 115.0(2) . . ?
C2 C1 P1 108.6(5) . . ?
C1 C2 P2 110.9(5) . . ?
C4' C3 C4 36.0(18) . . ?
C4' C3 P2 120.2(17) . . ?
C4 C3 P2 122.4(7) . . ?
C3 C4 C5 119.8(8) . . ?
C3 C4' C5 124.8(19) . . ?
C4' C5 C4 34.6(17) . . ?
C4' C5 P3 129.2(13) . . ?
C4 C5 P3 113.9(6) . . ?
C7 C6 P3 111.6(5) . . ?
C6 C7 P4 110.9(6) . . ?
C12 C11 C16 118.6(8) . . ?
C12 C11 P1 118.3(6) . . ?
C16 C11 P1 123.1(7) . . ?
C11 C12 C13 121.0(8) . . ?
C14 C13 C12 119.8(9) . . ?
C15 C14 C13 118.9(8) . . ?
C14 C15 C16 120.2(9) . . ?
C11 C16 C15 121.4(9) . . ?
C22 C21 C26 117.1(7) . . ?
C22 C21 P1 118.2(6) . . ?
C26 C21 P1 124.7(6) . . ?
C23 C22 C21 122.3(8) . . ?
C22 C23 C24 119.8(9) . . ?
C25 C24 C23 119.1(8) . . ?
C24 C25 C26 121.0(8) . . ?
C25 C26 C21 120.8(8) . . ?
C32 C31 C36 117.1(8) . . ?
C32 C31 P2 126.3(7) . . ?
C36 C31 P2 116.6(6) . . ?
C31 C32 C33 122.6(9) . . ?
C32 C33 C34 118.9(9) . . ?
C35 C34 C33 120.4(9) . . ?
C34 C35 C36 120.7(10) . . ?
C35 C36 C31 120.3(9) . . ?
C42 C41 C46 117.3(7) . . ?
C42 C41 P3 123.9(6) . . ?
C46 C41 P3 118.7(6) . . ?
C43 C42 C41 121.5(8) . . ?
C42 C43 C44 120.0(9) . . ?
C45 C44 C43 119.7(8) . . ?
C44 C45 C46 120.0(9) . . ?
C45 C46 C41 121.3(8) . . ?
C56 C51 C52 117.3(7) . . ?
C56 C51 P4 118.6(6) . . ?
C52 C51 P4 124.0(6) . . ?
C53 C52 C51 120.0(9) . . ?
C54 C53 C52 121.8(9) . . ?
C53 C54 C55 118.4(8) . . ?
C56 C55 C54 119.4(9) . . ?
C51 C56 C55 123.0(8) . . ?
C66 C61 C62 119.4(8) . . ?
C66 C61 P4 120.2(6) . . ?
C62 C61 P4 120.5(7) . . ?
C61 C62 C63 120.2(9) . . ?
C64 C63 C62 119.4(9) . . ?
C65 C64 C63 120.5(9) . . ?
C64 C65 C66 120.2(10) . . ?
C65 C66 C61 120.2(9) . . ?
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 2.037(7) . ?
Mo1 N3 2.050(6) . ?
Mo1 P3 2.420(2) . ?
Mo1 P4 2.4463(19) . ?
Mo1 P2 2.4566(19) . ?
Mo1 P1 2.469(2) . ?
N1 N2 1.119(10) . ?
N3 N4 1.106(9) . ?
P1 C11 1.844(8) . ?
P1 C21 1.845(8) . ?
P1 C1 1.861(8) . ?
P2 C3 1.843(9) . ?
P2 C31 1.846(8) . ?
P2 C2 1.862(8) . ?
P3 C41 1.841(7) . ?
P3 C5 1.843(8) . ?
P3 C6 1.865(8) . ?
P4 C7 1.847(8) . ?
P4 C61 1.849(8) . ?
P4 C51 1.849(8) . ?
C1 C2 1.513(11) . ?
C3 C4' 1.45(2) . ?
C3 C4 1.478(13) . ?
C4 C5 1.537(12) . ?
C4' C5 1.50(2) . ?
C6 C7 1.527(11) . ?
C11 C12 1.365(12) . ?
C11 C16 1.373(12) . ?
C12 C13 1.405(12) . ?
C13 C14 1.387(14) . ?
C14 C15 1.374(15) . ?
C15 C16 1.391(14) . ?
C21 C22 1.385(11) . ?
C21 C26 1.400(10) . ?
C22 C23 1.378(13) . ?
C23 C24 1.389(14) . ?
C24 C25 1.369(14) . ?
C25 C26 1.386(12) . ?
C31 C32 1.383(12) . ?
C31 C36 1.425(12) . ?
C32 C33 1.389(13) . ?
C33 C34 1.390(16) . ?
C34 C35 1.371(15) . ?
C35 C36 1.386(12) . ?
C41 C42 1.388(11) . ?
C41 C46 1.412(10) . ?
C42 C43 1.372(12) . ?
C43 C44 1.402(14) . ?
C44 C45 1.369(15) . ?
C45 C46 1.382(12) . ?
C51 C56 1.372(12) . ?
C51 C52 1.408(11) . ?
C52 C53 1.387(13) . ?
C53 C54 1.368(15) . ?
C54 C55 1.406(13) . ?
C55 C56 1.375(11) . ?
C61 C66 1.391(12) . ?
C61 C62 1.392(12) . ?
C62 C63 1.399(13) . ?
C63 C64 1.389(16) . ?
C64 C65 1.373(15) . ?
C65 C66 1.391(12) . ?
