#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:21:14 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179786 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/82/7008291.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_7008291
loop_
_publ_author_name
'Ortin, Yannick'
'Lugan, Noêl'
'Mathieu, René'
_publ_section_title
;
 Subtle reactivity patterns of non-heteroatom-substituted manganese
 alkynyl carbene complexes in the presence of phosphorus probes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1620
_journal_page_last               1636
_journal_paper_doi               10.1039/b501008j
_journal_year                    2005
_chemical_formula_moiety         'C42 H34 Mn O2 P'
_chemical_formula_sum            'C42 H34 Mn O2 P'
_chemical_formula_weight         656.6
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2003-04-24T16:44:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 104.369(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.2313(8)
_cell_length_b                   14.3158(12)
_cell_length_c                   19.2117(14)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.23
_cell_volume                     3258.8(4)
_computing_cell_refinement       'IPDS Software 2.93 Stoe, 2000)'
_computing_data_collection       'IPDS Software 2.93 Stoe, 2000)'
_computing_data_reduction        'Xred 1.08 (Stoe, 1996)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      158(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       φ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24217
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  0.9073
_exptl_absorpt_correction_T_min  0.8767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. R.H. Blessing, Acta Cryst. (1995), A51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         6196
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0686
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0491P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                4297
_reflns_number_total             6196
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b501008j.txt
_cod_data_source_block           pph3phto
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7008291
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_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
C1 C 0.5493(2) 0.04249(16) 0.77872(13) 0.0286(5) Uani 1 1 d . . .
C2 C 0.5733(2) 0.09518(16) 0.66410(13) 0.0303(5) Uani 1 1 d . . .
C3 C 0.60134(19) 0.22914(15) 0.78168(12) 0.0249(5) Uani 1 1 d . . .
C4 C 0.6777(2) 0.26449(14) 0.75514(11) 0.0238(5) Uani 1 1 d . . .
C5 C 0.75908(19) 0.29780(14) 0.72575(11) 0.0225(5) Uani 1 1 d . . .
C11 C 0.3327(2) 0.11077(18) 0.64452(14) 0.0412(6) Uani 1 1 d . . .
C12 C 0.3597(2) 0.2083(2) 0.64542(16) 0.0470(7) Uani 1 1 d . . .
H12 H 0.3724 0.2434 0.6062 0.056 Uiso 1 1 calc R . .
C13 C 0.3638(2) 0.24240(19) 0.71365(16) 0.0437(7) Uani 1 1 d . . .
H13 H 0.3792 0.3052 0.7289 0.052 Uiso 1 1 calc R . .
C14 C 0.3417(2) 0.1694(2) 0.75615(15) 0.0436(7) Uani 1 1 d . . .
H14 H 0.3400 0.1735 0.8052 0.052 Uiso 1 1 calc R . .
C15 C 0.3225(2) 0.08880(19) 0.71323(15) 0.0414(6) Uani 1 1 d . . .
H15 H 0.3052 0.0287 0.7286 0.050 Uiso 1 1 calc R . .
C16 C 0.3093(3) 0.0485(3) 0.58111(19) 0.0821(13) Uani 1 1 d . . .
H16A H 0.3158 -0.0167 0.5970 0.123 Uiso 1 1 calc R . .
H16B H 0.3638 0.0609 0.5525 0.123 Uiso 1 1 calc R . .
H16C H 0.2327 0.0601 0.5518 0.123 Uiso 1 1 calc R . .
C21 C 0.58370(19) 0.25335(15) 0.85319(12) 0.0251(5) Uani 1 1 d . . .
C22 C 0.6191(2) 0.18982(16) 0.91033(12) 0.0324(6) Uani 1 1 d . . .
H22 H 0.6554 0.1334 0.9029 0.039 Uiso 1 1 calc R . .
C23 C 0.6013(2) 0.20901(19) 0.97703(14) 0.0418(7) Uani 1 1 d . . .
H23 H 0.6265 0.1659 1.0153 0.050 Uiso 1 1 calc R . .
C24 C 0.5480(2) 0.2893(2) 0.98877(15) 0.0450(7) Uani 1 1 d . . .
H24 H 0.5346 0.3014 1.0346 0.054 Uiso 1 1 calc R . .
C25 C 0.5136(2) 0.35304(19) 0.93333(15) 0.0442(7) Uani 1 1 d . . .
H25 H 0.4768 0.4090 0.9412 0.053 Uiso 1 1 calc R . .
C26 C 0.5327(2) 0.33545(17) 0.86652(14) 0.0368(6) Uani 1 1 d . . .
H26 H 0.5104 0.3803 0.8293 0.044 Uiso 1 1 calc R . .
C31 C 0.74315(19) 0.37805(14) 0.67488(11) 0.0222(4) Uani 1 1 d . . .
C32 C 0.63549(19) 0.41352(14) 0.64610(11) 0.0246(5) Uani 1 1 d . . .
H32 H 0.5729 0.3866 0.6597 0.030 Uiso 1 1 calc R . .
C33 C 0.6178(2) 0.48742(15) 0.59787(12) 0.0276(5) Uani 1 1 d . . .
H33 H 0.5434 0.5108 0.5798 0.033 Uiso 1 1 calc R . .
C34 C 0.7066(2) 0.52808(15) 0.57546(12) 0.0270(5) Uani 1 1 d . . .
C35 C 0.8135(2) 0.49394(15) 0.60508(12) 0.0288(5) Uani 1 1 d . . .
H35 H 0.8759 0.5214 0.5916 0.035 Uiso 1 1 calc R . .
C36 C 0.8327(2) 0.42085(15) 0.65392(12) 0.0264(5) Uani 1 1 d . . .
H36 H 0.9076 0.3995 0.6734 0.032 Uiso 1 1 calc R . .
C37 C 0.6862(2) 0.60380(18) 0.51952(14) 0.0408(6) Uani 1 1 d . . .
H37A H 0.7563 0.6386 0.5228 0.061 Uiso 1 1 calc R . .
H37B H 0.6279 0.6464 0.5276 0.061 Uiso 1 1 calc R . .
H37C H 0.6611 0.5758 0.4717 0.061 Uiso 1 1 calc R . .
C41 C 0.87708(18) 0.13253(15) 0.79817(11) 0.0242(5) Uani 1 1 d . . .
C42 C 0.8923(2) 0.13760(17) 0.87210(12) 0.0327(5) Uani 1 1 d . . .
H42 H 0.9083 0.1960 0.8959 0.039 Uiso 1 1 calc R . .
C43 C 0.8842(2) 0.05797(19) 0.91137(14) 0.0403(6) Uani 1 1 d . . .
H43 H 0.8943 0.0615 0.9620 0.048 Uiso 1 1 calc R . .
C44 C 0.8612(2) -0.02658(18) 0.87644(15) 0.0403(6) Uani 1 1 d . . .
H44 H 0.8568 -0.0815 0.9033 0.048 Uiso 1 1 calc R . .
C45 C 0.8448(2) -0.03230(17) 0.80324(15) 0.0388(6) Uani 1 1 d . . .
H45 H 0.8281 -0.0908 0.7797 0.047 Uiso 1 1 calc R . .
C46 C 0.8526(2) 0.04734(15) 0.76360(13) 0.0304(5) Uani 1 1 d . . .
H46 H 0.8413 0.0435 0.7129 0.036 Uiso 1 1 calc R . .
C51 C 0.92712(19) 0.20867(14) 0.66522(12) 0.0236(5) Uani 1 1 d . . .
C52 C 0.8392(2) 0.18888(15) 0.60535(12) 0.0274(5) Uani 1 1 d . . .
H52 H 0.7638 0.1865 0.6101 0.033 Uiso 1 1 calc R . .
C53 C 0.8609(2) 0.17273(17) 0.53897(12) 0.0325(6) Uani 1 1 d . . .
H53 H 0.8008 0.1586 0.4985 0.039 Uiso 1 1 calc R . .
C54 C 0.9703(2) 0.17723(17) 0.53186(13) 0.0361(6) Uani 1 1 d . . .
H54 H 0.9853 0.1663 0.4863 0.043 Uiso 1 1 calc R . .
C55 C 1.0578(2) 0.19740(18) 0.59033(13) 0.0359(6) Uani 1 1 d . . .
H55 H 1.1327 0.2007 0.5848 0.043 Uiso 1 1 calc R . .
C56 C 1.0372(2) 0.21287(16) 0.65722(13) 0.0312(5) Uani 1 1 d . . .
H56 H 1.0980 0.2263 0.6975 0.037 Uiso 1 1 calc R . .
C61 C 0.9983(2) 0.30412(15) 0.80618(12) 0.0272(5) Uani 1 1 d . . .
C62 C 1.1067(2) 0.26874(18) 0.83177(13) 0.0366(6) Uani 1 1 d . . .
H62 H 1.1242 0.2074 0.8191 0.044 Uiso 1 1 calc R . .
C63 C 1.1891(3) 0.3235(2) 0.87590(14) 0.0460(7) Uani 1 1 d . . .
H63 H 1.2641 0.3006 0.8920 0.055 Uiso 1 1 calc R . .
C64 C 1.1618(3) 0.4119(2) 0.89643(14) 0.0476(8) Uani 1 1 d . . .
H64 H 1.2184 0.4493 0.9266 0.057 Uiso 1 1 calc R . .
C65 C 1.0537(3) 0.44527(18) 0.87347(13) 0.0414(7) Uani 1 1 d . . .
H65 H 1.0354 0.5051 0.8888 0.050 Uiso 1 1 calc R . .
C66 C 0.9714(2) 0.39248(15) 0.82822(12) 0.0311(5) Uani 1 1 d . . .
H66 H 0.8968 0.4161 0.8121 0.037 Uiso 1 1 calc R . .
P1 P 0.88841(5) 0.23636(4) 0.74790(3) 0.02152(13) Uani 1 1 d . . .
Mn1 Mn 0.49055(3) 0.13405(2) 0.720901(18) 0.02602(10) Uani 1 1 d . . .
O1 O 0.58896(15) -0.02099(11) 0.81500(10) 0.0373(4) Uani 1 1 d . . .
O2 O 0.62387(16) 0.06213(13) 0.62563(9) 0.0416(4) Uani 1 1 d . . .
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 0 '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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
O1 C1 Mn1 177.2(2) . . ?
O2 C2 Mn1 174.3(2) . . ?
C4 C3 C21 124.5(2) . . ?
C4 C3 Mn1 118.59(17) . . ?
C21 C3 Mn1 116.85(15) . . ?
C3 C4 C5 177.2(2) . . ?
C4 C5 C31 123.9(2) . . ?
C4 C5 P1 115.66(16) . . ?
C31 C5 P1 120.36(15) . . ?
C15 C11 C12 106.4(2) . . ?
C15 C11 C16 126.9(3) . . ?
C12 C11 C16 126.4(3) . . ?
C15 C11 Mn1 70.32(15) . . ?
C12 C11 Mn1 71.01(15) . . ?
C16 C11 Mn1 128.0(2) . . ?
C13 C12 C11 108.0(2) . . ?
C13 C12 Mn1 72.01(16) . . ?
C11 C12 Mn1 70.01(14) . . ?
C13 C12 H12 126.0 . . ?
C11 C12 H12 126.0 . . ?
Mn1 C12 H12 123.6 . . ?
C12 C13 C14 108.8(2) . . ?
C12 C13 Mn1 70.59(15) . . ?
C14 C13 Mn1 70.50(15) . . ?
C12 C13 H13 125.6 . . ?
C14 C13 H13 125.6 . . ?
Mn1 C13 H13 124.9 . . ?
C13 C14 C15 107.5(2) . . ?
C13 C14 Mn1 71.94(15) . . ?
C15 C14 Mn1 69.73(16) . . ?
C13 C14 H14 126.2 . . ?
C15 C14 H14 126.2 . . ?
Mn1 C14 H14 123.7 . . ?
C11 C15 C14 109.2(2) . . ?
C11 C15 Mn1 71.58(16) . . ?
C14 C15 Mn1 71.98(16) . . ?
C11 C15 H15 125.4 . . ?
C14 C15 H15 125.4 . . ?
Mn1 C15 H15 122.7 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C26 C21 C22 118.0(2) . . ?
C26 C21 C3 123.1(2) . . ?
C22 C21 C3 118.9(2) . . ?
C23 C22 C21 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.8(3) . . ?
C24 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?
C23 C24 C25 119.5(2) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C21 C26 C25 120.9(2) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C32 C31 C36 117.2(2) . . ?
C32 C31 C5 119.93(19) . . ?
C36 C31 C5 122.9(2) . . ?
C33 C32 C31 121.3(2) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C32 C33 C34 121.4(2) . . ?
C32 C33 H33 119.3 . . ?
C34 C33 H33 119.3 . . ?
C35 C34 C33 117.2(2) . . ?
C35 C34 C37 121.5(2) . . ?
C33 C34 C37 121.3(2) . . ?
C34 C35 C36 122.0(2) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C31 120.8(2) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C46 C41 C42 119.6(2) . . ?
C46 C41 P1 120.46(17) . . ?
C42 C41 P1 119.89(17) . . ?
C43 C42 C41 120.4(2) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C42 119.4(2) . . ?
C44 C43 H43 120.3 . . ?
C42 C43 H43 120.3 . . ?
C45 C44 C43 120.8(2) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 C46 120.1(2) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 119.8(2) . . ?
C41 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C52 C51 C56 119.1(2) . . ?
C52 C51 P1 116.88(17) . . ?
C56 C51 P1 123.87(18) . . ?
C53 C52 C51 120.6(2) . . ?
C53 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C54 C53 C52 119.7(2) . . ?
C54 C53 H53 120.1 . . ?
C52 C53 H53 120.1 . . ?
C55 C54 C53 120.4(2) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C54 C55 C56 120.4(2) . . ?
C54 C55 H55 119.8 . . ?
C56 C55 H55 119.8 . . ?
C55 C56 C51 119.8(2) . . ?
C55 C56 H56 120.1 . . ?
C51 C56 H56 120.1 . . ?
C62 C61 C66 119.9(2) . . ?
C62 C61 P1 121.46(18) . . ?
C66 C61 P1 118.62(19) . . ?
C63 C62 C61 119.7(3) . . ?
C63 C62 H62 120.2 . . ?
C61 C62 H62 120.2 . . ?
C64 C63 C62 119.9(3) . . ?
C64 C63 H63 120.1 . . ?
C62 C63 H63 120.1 . . ?
C63 C64 C65 120.4(3) . . ?
C63 C64 H64 119.8 . . ?
C65 C64 H64 119.8 . . ?
C66 C65 C64 120.4(3) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C65 C66 C61 119.7(3) . . ?
C65 C66 H66 120.1 . . ?
C61 C66 H66 120.1 . . ?
C5 P1 C41 110.94(10) . . ?
C5 P1 C61 111.50(11) . . ?
C41 P1 C61 104.85(10) . . ?
C5 P1 C51 108.12(10) . . ?
C41 P1 C51 111.24(10) . . ?
C61 P1 C51 110.21(11) . . ?
C2 Mn1 C1 87.01(10) . . ?
C2 Mn1 C3 99.31(10) . . ?
C1 Mn1 C3 91.51(10) . . ?
C2 Mn1 C15 123.93(11) . . ?
C1 Mn1 C15 93.06(10) . . ?
C3 Mn1 C15 136.68(10) . . ?
C2 Mn1 C11 94.92(11) . . ?
C1 Mn1 C11 118.42(11) . . ?
C3 Mn1 C11 147.49(9) . . ?
C15 Mn1 C11 38.10(10) . . ?
C2 Mn1 C14 159.04(11) . . ?
C1 Mn1 C14 102.83(11) . . ?
C3 Mn1 C14 98.88(10) . . ?
C15 Mn1 C14 38.29(11) . . ?
C11 Mn1 C14 64.12(11) . . ?
C2 Mn1 C12 100.67(11) . . ?
C1 Mn1 C12 156.14(11) . . ?
C3 Mn1 C12 109.21(11) . . ?
C15 Mn1 C12 63.85(11) . . ?
C11 Mn1 C12 38.98(11) . . ?
C14 Mn1 C12 63.31(11) . . ?
C2 Mn1 C13 134.40(11) . . ?
C1 Mn1 C13 138.44(11) . . ?
C3 Mn1 C13 85.60(10) . . ?
C15 Mn1 C13 63.30(11) . . ?
C11 Mn1 C13 63.87(10) . . ?
C14 Mn1 C13 37.56(11) . . ?
C12 Mn1 C13 37.41(11) . . ?
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
C1 O1 1.174(3) . ?
C1 Mn1 1.753(2) . ?
C2 O2 1.174(3) . ?
C2 Mn1 1.753(2) . ?
C3 C4 1.275(3) . ?
C3 C21 1.484(3) . ?
C3 Mn1 2.066(2) . ?
C4 C5 1.347(3) . ?
C5 C31 1.489(3) . ?
C5 P1 1.767(2) . ?
C11 C15 1.393(4) . ?
C11 C12 1.433(4) . ?
C11 C16 1.479(4) . ?
C11 Mn1 2.141(3) . ?
C12 C13 1.388(4) . ?
C12 Mn1 2.155(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(4) . ?
C13 Mn1 2.173(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.404(4) . ?
C14 Mn1 2.154(3) . ?
C14 H14 0.9500 . ?
C15 Mn1 2.125(3) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 C26 1.384(3) . ?
C21 C22 1.408(3) . ?
C22 C23 1.379(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.368(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.386(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.383(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C32 1.391(3) . ?
C31 C36 1.399(3) . ?
C32 C33 1.387(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.392(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.380(3) . ?
C34 C37 1.503(3) . ?
C35 C36 1.386(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C41 C46 1.385(3) . ?
C41 C42 1.388(3) . ?
C41 P1 1.797(2) . ?
C42 C43 1.384(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.379(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.373(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.387(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C51 C52 1.395(3) . ?
C51 C56 1.394(3) . ?
C51 P1 1.810(2) . ?
C52 C53 1.385(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.379(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.376(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.387(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C61 C62 1.390(4) . ?
C61 C66 1.399(3) . ?
C61 P1 1.804(2) . ?
C62 C63 1.388(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.390(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.371(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.381(4) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
