#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:07:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179741 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/37/7003752.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_7003752
loop_
_publ_author_name
'Kühnert, Janett'
'Císařová, Ivana'
'Lamač, Martin'
'Štěpnička, Petr'
_publ_section_title
;
 Group-12 metal complexes with isomeric
 1-(diphenylphosphino)-1′-[N-(pyridylmethyl)carbamoyl]ferrocenes:
 coordination polymers vs. finite multinuclear coordination assemblies
;
_journal_issue                   18
_journal_name_full               'Dalton Transactions'
_journal_page_first              2454
_journal_page_last               2464
_journal_paper_doi               10.1039/b719334c
_journal_year                    2008
_chemical_formula_moiety         'C29 H25 Br2 Fe Hg N2 O P'
_chemical_formula_sum            'C29 H25 Br2 Fe Hg N2 O P'
_chemical_formula_weight         864.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.376(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2514(1)
_cell_length_b                   14.8207(3)
_cell_length_c                   20.5550(3)
_cell_measurement_reflns_used    27616
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     2813.45(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'ω and π scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            45710
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.889
_exptl_absorpt_correction_T_max  0.529
_exptl_absorpt_correction_T_min  0.135
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
gaussian integration based on indexed
crystal shape (Coppens, 1970)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.741
_refine_diff_density_min         -1.345
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6456
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0309P)²+5.2644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                5458
_reflns_number_total             6456
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719334c.txt
_cod_data_source_block           jk83c
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7003752
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
Hg Hg 0.607448(16) 0.270054(11) 0.371612(7) 0.03078(6) Uani 1 1 d . . .
Br1 Br 0.41656(5) 0.39141(3) 0.34953(2) 0.04104(11) Uani 1 1 d . . .
Br2 Br 0.54844(5) 0.11612(3) 0.31558(2) 0.04070(11) Uani 1 1 d . . .
Fe Fe 0.52353(5) 0.21546(3) 0.57987(3) 0.02275(11) Uani 1 1 d . . .
P P 0.77187(10) 0.24485(6) 0.46697(5) 0.02324(19) Uani 1 1 d . . .
O O 0.1236(3) 0.14909(19) 0.59727(14) 0.0363(6) Uani 1 1 d . . .
N1 N 0.2548(4) 0.1277(2) 0.69194(16) 0.0326(7) Uani 1 1 d . . .
H1N H 0.3456 0.1461 0.7186 0.039 Uiso 1 1 d R . .
N2 N -0.2274(4) 0.1695(3) 0.79440(17) 0.0374(8) Uani 1 1 d . . .
C1 C 0.6864(4) 0.1746(2) 0.52424(18) 0.0245(7) Uani 1 1 d . . .
C2 C 0.5581(4) 0.1223(2) 0.50967(19) 0.0284(8) Uani 1 1 d . . .
H2 H 0.5077 0.1180 0.4693 0.034 Uiso 1 1 calc R . .
C3 C 0.5220(5) 0.0786(3) 0.5677(2) 0.0329(9) Uani 1 1 d . . .
H3 H 0.4437 0.0401 0.5720 0.039 Uiso 1 1 calc R . .
C4 C 0.6251(4) 0.1034(3) 0.6179(2) 0.0339(9) Uani 1 1 d . . .
H4 H 0.6259 0.0842 0.6610 0.041 Uiso 1 1 calc R . .
C5 C 0.7270(4) 0.1622(3) 0.5917(2) 0.0311(8) Uani 1 1 d . . .
H5 H 0.8063 0.1882 0.6144 0.037 Uiso 1 1 calc R . .
C6 C 0.3302(4) 0.2415(3) 0.6174(2) 0.0304(8) Uani 1 1 d . . .
C7 C 0.4451(5) 0.2818(3) 0.6569(2) 0.0358(10) Uani 1 1 d . . .
H7 H 0.4682 0.2693 0.7006 0.043 Uiso 1 1 calc R . .
C8 C 0.5172(5) 0.3439(3) 0.6180(2) 0.0401(10) Uani 1 1 d . . .
H8 H 0.5960 0.3794 0.6318 0.048 Uiso 1 1 calc R . .
C9 C 0.4495(4) 0.3430(3) 0.5547(2) 0.0365(10) Uani 1 1 d . . .
H9 H 0.4763 0.3777 0.5198 0.044 Uiso 1 1 calc R . .
C10 C 0.3341(4) 0.2805(3) 0.5534(2) 0.0333(9) Uani 1 1 d . . .
H10 H 0.2718 0.2670 0.5176 0.040 Uiso 1 1 calc R . .
C11 C 0.2288(4) 0.1695(3) 0.63380(19) 0.0296(8) Uani 1 1 d . . .
C12 C 0.9312(4) 0.1857(2) 0.44197(17) 0.0243(7) Uani 1 1 d . . .
C13 C 1.0451(4) 0.2346(3) 0.4188(2) 0.0317(9) Uani 1 1 d . . .
H13 H 1.0421 0.2973 0.4191 0.038 Uiso 1 1 calc R . .
C14 C 1.1634(4) 0.1908(3) 0.3951(2) 0.0386(10) Uani 1 1 d . . .
H14 H 1.2387 0.2239 0.3789 0.046 Uiso 1 1 calc R . .
C15 C 1.1688(4) 0.0973(3) 0.3958(2) 0.0350(9) Uani 1 1 d . . .
H15 H 1.2489 0.0675 0.3808 0.042 Uiso 1 1 calc R . .
C16 C 1.0554(4) 0.0484(3) 0.4185(2) 0.0345(9) Uani 1 1 d . . .
H16 H 1.0590 -0.0143 0.4186 0.041 Uiso 1 1 calc R . .
C17 C 0.9359(4) 0.0924(3) 0.44140(19) 0.0296(8) Uani 1 1 d . . .
H17 H 0.8591 0.0592 0.4563 0.036 Uiso 1 1 calc R . .
C18 C 0.8380(4) 0.3442(2) 0.51020(18) 0.0252(8) Uani 1 1 d . . .
C19 C 0.7727(4) 0.4279(3) 0.4984(2) 0.0291(8) Uani 1 1 d . . .
H19 H 0.7003 0.4343 0.4654 0.035 Uiso 1 1 calc R . .
C20 C 0.8168(5) 0.5017(3) 0.5364(2) 0.0350(9) Uani 1 1 d . . .
H20 H 0.7733 0.5576 0.5290 0.042 Uiso 1 1 calc R . .
C21 C 0.9242(5) 0.4920(3) 0.5847(2) 0.0385(10) Uani 1 1 d . . .
H21 H 0.9511 0.5411 0.6109 0.046 Uiso 1 1 calc R . .
C22 C 0.9928(5) 0.4098(3) 0.5949(2) 0.0370(9) Uani 1 1 d . . .
H22 H 1.0681 0.4046 0.6267 0.044 Uiso 1 1 calc R . .
C23 C 0.9501(4) 0.3359(3) 0.55835(19) 0.0307(8) Uani 1 1 d . . .
H23 H 0.9957 0.2806 0.5656 0.037 Uiso 1 1 calc R . .
C24 C 0.1553(5) 0.0605(3) 0.7140(2) 0.0367(9) Uani 1 1 d . . .
H24A H 0.2040 0.0250 0.7483 0.044 Uiso 1 1 calc R . .
H24B H 0.1286 0.0202 0.6781 0.044 Uiso 1 1 calc R . .
C25 C 0.0191(4) 0.1009(3) 0.73923(18) 0.0310(8) Uani 1 1 d . . .
C26 C -0.0932(4) 0.0447(3) 0.75656(19) 0.0340(9) Uani 1 1 d . . .
H26 H -0.0878 -0.0171 0.7493 0.041 Uiso 1 1 calc R . .
C27 C -0.2126(5) 0.0807(3) 0.78452(19) 0.0355(9) Uani 1 1 d . . .
H27 H -0.2852 0.0419 0.7969 0.043 Uiso 1 1 calc R . .
C28 C -0.1239(5) 0.2240(3) 0.7746(2) 0.0427(11) Uani 1 1 d . . .
H28 H -0.1360 0.2860 0.7787 0.051 Uiso 1 1 calc R . .
C29 C 0.0010(5) 0.1921(3) 0.7483(2) 0.0403(10) Uani 1 1 d . . .
H29 H 0.0724 0.2322 0.7368 0.048 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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.3894 9.2266 '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
N2 Hg P 101.21(9) 4_665 . ?
N2 Hg Br1 94.55(9) 4_665 . ?
P Hg Br1 130.22(3) . . ?
N2 Hg Br2 99.05(9) 4_665 . ?
P Hg Br2 109.06(2) . . ?
Br1 Hg Br2 114.598(16) . . ?
C6 Fe C7 41.25(17) . . ?
C6 Fe C2 125.30(16) . . ?
C7 Fe C2 163.30(17) . . ?
C6 Fe C1 165.72(16) . . ?
C7 Fe C1 152.99(17) . . ?
C2 Fe C1 41.21(15) . . ?
C6 Fe C4 113.97(17) . . ?
C7 Fe C4 105.81(18) . . ?
C2 Fe C4 68.39(17) . . ?
C1 Fe C4 68.51(15) . . ?
C6 Fe C5 148.91(17) . . ?
C7 Fe C5 117.56(18) . . ?
C2 Fe C5 68.91(16) . . ?
C1 Fe C5 40.97(15) . . ?
C4 Fe C5 40.49(16) . . ?
C6 Fe C3 103.63(16) . . ?
C7 Fe C3 125.10(17) . . ?
C2 Fe C3 40.57(16) . . ?
C1 Fe C3 68.64(15) . . ?
C4 Fe C3 40.47(17) . . ?
C5 Fe C3 68.34(17) . . ?
C6 Fe C10 41.37(17) . . ?
C7 Fe C10 68.87(18) . . ?
C2 Fe C10 107.41(17) . . ?
C1 Fe C10 129.91(16) . . ?
C4 Fe C10 148.58(17) . . ?
C5 Fe C10 169.42(17) . . ?
C3 Fe C10 115.82(18) . . ?
C6 Fe C8 68.53(17) . . ?
C7 Fe C8 40.38(18) . . ?
C2 Fe C8 154.81(17) . . ?
C1 Fe C8 121.80(17) . . ?
C4 Fe C8 128.97(19) . . ?
C5 Fe C8 111.00(18) . . ?
C3 Fe C8 164.45(18) . . ?
C10 Fe C8 67.81(18) . . ?
C6 Fe C9 68.51(16) . . ?
C7 Fe C9 67.93(18) . . ?
C2 Fe C9 120.45(17) . . ?
C1 Fe C9 112.17(16) . . ?
C4 Fe C9 168.16(18) . . ?
C5 Fe C9 132.32(17) . . ?
C3 Fe C9 151.35(18) . . ?
C10 Fe C9 40.16(16) . . ?
C8 Fe C9 39.94(19) . . ?
C1 P C18 107.50(17) . . ?
C1 P C12 107.62(16) . . ?
C18 P C12 106.02(17) . . ?
C1 P Hg 109.80(12) . . ?
C18 P Hg 116.56(12) . . ?
C12 P Hg 108.96(12) . . ?
C11 N1 C24 120.5(4) . . ?
C11 N1 H1N 116.8 . . ?
C24 N1 H1N 122.6 . . ?
C28 N2 C27 117.9(4) . . ?
C28 N2 Hg 117.7(3) . 4_466 ?
C27 N2 Hg 122.2(3) . 4_466 ?
C5 C1 C2 107.5(3) . . ?
C5 C1 P 127.8(3) . . ?
C2 C1 P 124.7(3) . . ?
C5 C1 Fe 69.7(2) . . ?
C2 C1 Fe 69.4(2) . . ?
P C1 Fe 124.47(19) . . ?
C3 C2 C1 107.8(3) . . ?
C3 C2 Fe 70.0(2) . . ?
C1 C2 Fe 69.4(2) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Fe C2 H2 126.0 . . ?
C4 C3 C2 108.3(4) . . ?
C4 C3 Fe 69.7(2) . . ?
C2 C3 Fe 69.4(2) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
Fe C3 H3 126.7 . . ?
C5 C4 C3 108.6(4) . . ?
C5 C4 Fe 69.8(2) . . ?
C3 C4 Fe 69.9(2) . . ?
C5 C4 H4 125.7 . . ?
C3 C4 H4 125.7 . . ?
Fe C4 H4 126.2 . . ?
C4 C5 C1 107.8(4) . . ?
C4 C5 Fe 69.7(2) . . ?
C1 C5 Fe 69.3(2) . . ?
C4 C5 H5 126.1 . . ?
C1 C5 H5 126.1 . . ?
Fe C5 H5 126.4 . . ?
C7 C6 C10 107.1(4) . . ?
C7 C6 C11 129.3(4) . . ?
C10 C6 C11 123.5(4) . . ?
C7 C6 Fe 69.7(2) . . ?
C10 C6 Fe 70.0(2) . . ?
C11 C6 Fe 122.5(3) . . ?
C8 C7 C6 108.1(4) . . ?
C8 C7 Fe 70.8(2) . . ?
C6 C7 Fe 69.1(2) . . ?
C8 C7 H7 126.0 . . ?
C6 C7 H7 126.0 . . ?
Fe C7 H7 125.7 . . ?
C9 C8 C7 108.5(4) . . ?
C9 C8 Fe 70.2(2) . . ?
C7 C8 Fe 68.8(2) . . ?
C9 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
Fe C8 H8 126.8 . . ?
C8 C9 C10 108.6(4) . . ?
C8 C9 Fe 69.8(2) . . ?
C10 C9 Fe 69.2(2) . . ?
C8 C9 H9 125.7 . . ?
C10 C9 H9 125.7 . . ?
Fe C9 H9 126.9 . . ?
C9 C10 C6 107.8(4) . . ?
C9 C10 Fe 70.7(2) . . ?
C6 C10 Fe 68.6(2) . . ?
C9 C10 H10 126.1 . . ?
C6 C10 H10 126.1 . . ?
Fe C10 H10 126.2 . . ?
O C11 N1 121.2(4) . . ?
O C11 C6 121.9(4) . . ?
N1 C11 C6 116.9(4) . . ?
C17 C12 C13 119.7(3) . . ?
C17 C12 P 120.8(3) . . ?
C13 C12 P 119.4(3) . . ?
C14 C13 C12 120.6(4) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 119.6(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C16 C15 C14 120.0(4) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.3(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C12 C17 C16 119.9(4) . . ?
C12 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C23 119.9(4) . . ?
C19 C18 P 120.6(3) . . ?
C23 C18 P 119.5(3) . . ?
C20 C19 C18 119.5(4) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C21 C20 C19 120.0(4) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.6(4) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C18 119.7(4) . . ?
C22 C23 H23 120.1 . . ?
C18 C23 H23 120.1 . . ?
N1 C24 C25 113.2(4) . . ?
N1 C24 H24A 108.9 . . ?
C25 C24 H24A 108.9 . . ?
N1 C24 H24B 108.9 . . ?
C25 C24 H24B 108.9 . . ?
H24A C24 H24B 107.8 . . ?
C29 C25 C26 116.9(4) . . ?
C29 C25 C24 123.0(4) . . ?
C26 C25 C24 120.0(4) . . ?
C27 C26 C25 120.2(4) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
N2 C27 C26 122.2(4) . . ?
N2 C27 H27 118.9 . . ?
C26 C27 H27 118.9 . . ?
N2 C28 C29 122.8(4) . . ?
N2 C28 H28 118.6 . . ?
C29 C28 H28 118.6 . . ?
C25 C29 C28 119.9(4) . . ?
C25 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
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
Hg N2 2.438(3) 4_665 ?
Hg P 2.4381(10) . ?
Hg Br1 2.5427(4) . ?
Hg Br2 2.5990(5) . ?
Fe C6 2.026(4) . ?
Fe C7 2.034(4) . ?
Fe C2 2.036(4) . ?
Fe C1 2.036(4) . ?
Fe C4 2.041(4) . ?
Fe C5 2.042(4) . ?
Fe C3 2.044(4) . ?
Fe C10 2.045(4) . ?
Fe C8 2.061(4) . ?
Fe C9 2.065(4) . ?
P C1 1.791(4) . ?
P C18 1.808(4) . ?
P C12 1.815(4) . ?
O C11 1.232(5) . ?
N1 C11 1.355(5) . ?
N1 C24 1.446(5) . ?
N1 H1N 1.0136 . ?
N2 C28 1.334(6) . ?
N2 C27 1.341(6) . ?
N2 Hg 2.438(3) 4_466 ?
C1 C5 1.427(5) . ?
C1 C2 1.433(5) . ?
C2 C3 1.414(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.413(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(6) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.430(6) . ?
C6 C10 1.438(6) . ?
C6 C11 1.473(6) . ?
C7 C8 1.413(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.409(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.412(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C12 C17 1.384(5) . ?
C12 C13 1.386(5) . ?
C13 C14 1.385(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.387(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.380(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.389(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.393(5) . ?
C18 C23 1.396(5) . ?
C19 C20 1.392(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.370(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.383(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.373(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.514(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C29 1.376(6) . ?
C25 C26 1.394(6) . ?
C26 C27 1.382(6) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.388(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
