#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:07:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179741 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/37/7003751.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_7003751
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 Cd Fe N2 O P'
_chemical_formula_sum            'C29 H25 Br2 Cd Fe N2 O P'
_chemical_formula_weight         776.55
_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                 93.294(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2861(2)
_cell_length_b                   14.8660(3)
_cell_length_c                   20.5346(5)
_cell_measurement_reflns_used    30360
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      1.00
_cell_volume                     2830.06(11)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0552
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41043
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.69
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.170
_exptl_absorpt_correction_T_max  0.744
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
gaussian absorption correction
based on indexed crystal shape
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.893
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6237
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0334
_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)+(0.0302P)²+3.7097P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                4876
_reflns_number_total             6237
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719334c.txt
_cod_data_source_block           jk81x
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7003751
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
Cd Cd 0.60661(3) 0.267758(17) 0.359572(13) 0.02981(8) Uani 1 1 d . . .
Br1 Br 0.41824(4) 0.39089(2) 0.35134(2) 0.04047(11) Uani 1 1 d . . .
Br2 Br 0.55280(4) 0.11066(2) 0.31500(2) 0.03960(11) Uani 1 1 d . . .
Fe Fe 0.52256(5) 0.21565(3) 0.57868(2) 0.02306(11) Uani 1 1 d . . .
P P 0.76885(9) 0.24580(5) 0.46437(5) 0.02425(19) Uani 1 1 d . . .
O O 0.1236(3) 0.14977(16) 0.59747(13) 0.0362(6) Uani 1 1 d . . .
N1 N 0.2553(3) 0.1292(2) 0.69166(16) 0.0346(7) Uani 1 1 d . . .
H1N H 0.3390 0.1303 0.7276 0.12(2) Uiso 1 1 d R . .
N2 N -0.2257(3) 0.1732(2) 0.79322(15) 0.0340(7) Uani 1 1 d . . .
C1 C 0.6850(3) 0.1759(2) 0.52210(17) 0.0244(7) Uani 1 1 d . . .
C2 C 0.5572(4) 0.1236(2) 0.50787(18) 0.0284(8) Uani 1 1 d . . .
H2 H 0.5064 0.1193 0.4676 0.034 Uiso 1 1 calc R . .
C3 C 0.5220(4) 0.0792(2) 0.56636(19) 0.0314(8) Uani 1 1 d . . .
H3 H 0.4443 0.0407 0.5709 0.038 Uiso 1 1 calc R . .
C4 C 0.6245(4) 0.1037(2) 0.61589(19) 0.0338(8) Uani 1 1 d . . .
H4 H 0.6260 0.0841 0.6589 0.041 Uiso 1 1 calc R . .
C5 C 0.7256(4) 0.1632(2) 0.58997(19) 0.0309(8) Uani 1 1 d . . .
H5 H 0.8042 0.1894 0.6128 0.037 Uiso 1 1 calc R . .
C6 C 0.3304(4) 0.2418(2) 0.61622(19) 0.0305(8) Uani 1 1 d . . .
C7 C 0.4441(4) 0.2824(2) 0.6560(2) 0.0371(9) Uani 1 1 d . . .
H7 H 0.4664 0.2706 0.6999 0.044 Uiso 1 1 calc R . .
C8 C 0.5165(4) 0.3440(2) 0.6163(2) 0.0405(10) Uani 1 1 d . . .
H8 H 0.5955 0.3794 0.6297 0.049 Uiso 1 1 calc R . .
C9 C 0.4482(4) 0.3425(2) 0.5531(2) 0.0357(9) Uani 1 1 d . . .
H9 H 0.4743 0.3769 0.5178 0.043 Uiso 1 1 calc R . .
C10 C 0.3339(4) 0.2801(2) 0.55243(19) 0.0316(8) Uani 1 1 d . . .
H10 H 0.2716 0.2662 0.5167 0.038 Uiso 1 1 calc R . .
C11 C 0.2284(4) 0.1698(2) 0.63344(18) 0.0300(8) Uani 1 1 d . . .
C12 C 0.9293(3) 0.1862(2) 0.44132(17) 0.0258(7) Uani 1 1 d . . .
C13 C 0.9344(4) 0.0928(2) 0.44107(18) 0.0303(8) Uani 1 1 d . . .
H13 H 0.8577 0.0598 0.4559 0.036 Uiso 1 1 calc R . .
C14 C 1.0535(4) 0.0487(2) 0.4187(2) 0.0372(9) Uani 1 1 d . . .
H14 H 1.0571 -0.0138 0.4192 0.045 Uiso 1 1 calc R . .
C15 C 1.1673(4) 0.0972(2) 0.3957(2) 0.0345(8) Uani 1 1 d . . .
H15 H 1.2473 0.0674 0.3809 0.041 Uiso 1 1 calc R . .
C16 C 1.1612(4) 0.1894(2) 0.3947(2) 0.0362(9) Uani 1 1 d . . .
H16 H 1.2368 0.2221 0.3786 0.043 Uiso 1 1 calc R . .
C17 C 1.0436(4) 0.2343(2) 0.41756(19) 0.0321(8) Uani 1 1 d . . .
H17 H 1.0410 0.2969 0.4170 0.039 Uiso 1 1 calc R . .
C18 C 0.8368(3) 0.3438(2) 0.50893(18) 0.0263(7) Uani 1 1 d . . .
C19 C 0.9488(4) 0.3354(2) 0.55659(19) 0.0314(8) Uani 1 1 d . . .
H19 H 0.9949 0.2804 0.5631 0.038 Uiso 1 1 calc R . .
C20 C 0.9915(4) 0.4086(2) 0.5940(2) 0.0368(9) Uani 1 1 d . . .
H20 H 1.0660 0.4028 0.6260 0.044 Uiso 1 1 calc R . .
C21 C 0.9232(4) 0.4911(2) 0.5841(2) 0.0378(9) Uani 1 1 d . . .
H21 H 0.9504 0.5400 0.6103 0.045 Uiso 1 1 calc R . .
C22 C 0.8160(4) 0.5006(2) 0.53589(19) 0.0338(8) Uani 1 1 d . . .
H22 H 0.7726 0.5564 0.5287 0.041 Uiso 1 1 calc R . .
C23 C 0.7720(4) 0.4276(2) 0.49770(19) 0.0301(8) Uani 1 1 d . . .
H23 H 0.6998 0.4343 0.4648 0.036 Uiso 1 1 calc R . .
C24 C 0.1558(4) 0.0628(2) 0.7144(2) 0.0355(8) Uani 1 1 d . . .
H24A H 0.2043 0.0280 0.7491 0.043 Uiso 1 1 calc R . .
H24B H 0.1296 0.0218 0.6789 0.043 Uiso 1 1 calc R . .
C25 C 0.0194(4) 0.1030(2) 0.73931(18) 0.0314(8) Uani 1 1 d . . .
C26 C -0.0927(4) 0.0481(2) 0.75649(19) 0.0348(8) Uani 1 1 d . . .
H26 H -0.0876 -0.0136 0.7494 0.042 Uiso 1 1 calc R . .
C27 C -0.2111(4) 0.0838(2) 0.78385(18) 0.0333(8) Uani 1 1 d . . .
H27 H -0.2836 0.0453 0.7963 0.040 Uiso 1 1 calc R . .
C28 C -0.1218(4) 0.2268(3) 0.7733(2) 0.0424(10) Uani 1 1 d . . .
H28 H -0.1329 0.2886 0.7774 0.051 Uiso 1 1 calc R . .
C29 C 0.0016(4) 0.1945(3) 0.7469(2) 0.0408(10) Uani 1 1 d . . .
H29 H 0.0723 0.2343 0.7344 0.049 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'
Fe Fe 0.3463 0.8444 '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'
Cd Cd -0.8075 1.2024 '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'
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 Cd Br1 99.99(8) 4_665 . ?
N2 Cd Br2 105.20(8) 4_665 . ?
Br1 Cd Br2 121.233(17) . . ?
N2 Cd P 99.19(8) 4_665 . ?
Br1 Cd P 121.09(2) . . ?
Br2 Cd P 106.10(2) . . ?
C6 Fe C2 125.51(14) . . ?
C6 Fe C4 114.50(15) . . ?
C2 Fe C4 68.30(15) . . ?
C6 Fe C5 149.30(15) . . ?
C2 Fe C5 68.99(15) . . ?
C4 Fe C5 40.57(14) . . ?
C6 Fe C10 41.21(15) . . ?
C2 Fe C10 107.17(15) . . ?
C4 Fe C10 148.63(14) . . ?
C5 Fe C10 169.17(14) . . ?
C6 Fe C7 41.22(15) . . ?
C2 Fe C7 163.77(14) . . ?
C4 Fe C7 106.48(16) . . ?
C5 Fe C7 117.77(16) . . ?
C10 Fe C7 68.79(16) . . ?
C6 Fe C1 165.68(15) . . ?
C2 Fe C1 41.20(13) . . ?
C4 Fe C1 68.63(14) . . ?
C5 Fe C1 41.14(14) . . ?
C10 Fe C1 129.47(14) . . ?
C7 Fe C1 152.95(15) . . ?
C6 Fe C3 104.00(14) . . ?
C2 Fe C3 40.87(14) . . ?
C4 Fe C3 40.12(15) . . ?
C5 Fe C3 68.34(14) . . ?
C10 Fe C3 115.88(15) . . ?
C7 Fe C3 125.45(15) . . ?
C1 Fe C3 68.88(13) . . ?
C6 Fe C8 68.61(14) . . ?
C2 Fe C8 154.06(15) . . ?
C4 Fe C8 129.53(17) . . ?
C5 Fe C8 110.85(16) . . ?
C10 Fe C8 67.88(16) . . ?
C7 Fe C8 40.52(15) . . ?
C1 Fe C8 121.17(14) . . ?
C3 Fe C8 164.88(16) . . ?
C6 Fe C9 68.40(14) . . ?
C2 Fe C9 119.77(16) . . ?
C4 Fe C9 168.66(16) . . ?
C5 Fe C9 132.12(14) . . ?
C10 Fe C9 40.14(14) . . ?
C7 Fe C9 67.97(16) . . ?
C1 Fe C9 111.48(14) . . ?
C3 Fe C9 151.16(16) . . ?
C8 Fe C9 40.01(17) . . ?
C1 P C18 106.51(16) . . ?
C1 P C12 106.50(15) . . ?
C18 P C12 104.84(15) . . ?
C1 P Cd 111.81(11) . . ?
C18 P Cd 119.29(12) . . ?
C12 P Cd 107.03(12) . . ?
C11 N1 C24 120.1(3) . . ?
C11 N1 H1N 135.6 . . ?
C24 N1 H1N 104.3 . . ?
C28 N2 C27 117.6(3) . . ?
C28 N2 Cd 118.7(2) . 4_466 ?
C27 N2 Cd 122.4(2) . 4_466 ?
C2 C1 C5 107.1(3) . . ?
C2 C1 P 124.5(3) . . ?
C5 C1 P 128.3(3) . . ?
C2 C1 Fe 69.14(17) . . ?
C5 C1 Fe 69.35(18) . . ?
P C1 Fe 124.97(16) . . ?
C3 C2 C1 107.9(3) . . ?
C3 C2 Fe 69.86(19) . . ?
C1 C2 Fe 69.67(18) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Fe C2 H2 126.0 . . ?
C4 C3 C2 108.2(3) . . ?
C4 C3 Fe 69.83(19) . . ?
C2 C3 Fe 69.27(18) . . ?
C4 C3 H3 125.9 . . ?
C2 C3 H3 125.9 . . ?
Fe C3 H3 126.6 . . ?
C3 C4 C5 109.1(3) . . ?
C3 C4 Fe 70.06(19) . . ?
C5 C4 Fe 69.72(19) . . ?
C3 C4 H4 125.4 . . ?
C5 C4 H4 125.4 . . ?
Fe C4 H4 126.4 . . ?
C4 C5 C1 107.7(3) . . ?
C4 C5 Fe 69.71(19) . . ?
C1 C5 Fe 69.51(18) . . ?
C4 C5 H5 126.1 . . ?
C1 C5 H5 126.1 . . ?
Fe C5 H5 126.2 . . ?
C10 C6 C7 107.5(3) . . ?
C10 C6 C11 123.5(3) . . ?
C7 C6 C11 128.9(4) . . ?
C10 C6 Fe 70.15(19) . . ?
C7 C6 Fe 70.2(2) . . ?
C11 C6 Fe 122.7(2) . . ?
C8 C7 C6 107.6(4) . . ?
C8 C7 Fe 70.5(2) . . ?
C6 C7 Fe 68.6(2) . . ?
C8 C7 H7 126.2 . . ?
C6 C7 H7 126.2 . . ?
Fe C7 H7 126.3 . . ?
C9 C8 C7 108.3(3) . . ?
C9 C8 Fe 70.2(2) . . ?
C7 C8 Fe 69.0(2) . . ?
C9 C8 H8 125.8 . . ?
C7 C8 H8 125.8 . . ?
Fe C8 H8 126.5 . . ?
C10 C9 C8 108.6(3) . . ?
C10 C9 Fe 69.02(19) . . ?
C8 C9 Fe 69.8(2) . . ?
C10 C9 H9 125.7 . . ?
C8 C9 H9 125.7 . . ?
Fe C9 H9 127.0 . . ?
C9 C10 C6 108.0(3) . . ?
C9 C10 Fe 70.84(19) . . ?
C6 C10 Fe 68.64(19) . . ?
C9 C10 H10 126.0 . . ?
C6 C10 H10 126.0 . . ?
Fe C10 H10 126.1 . . ?
O C11 N1 121.8(3) . . ?
O C11 C6 121.8(3) . . ?
N1 C11 C6 116.4(3) . . ?
C13 C12 C17 119.1(3) . . ?
C13 C12 P 121.1(2) . . ?
C17 C12 P 119.5(2) . . ?
C14 C13 C12 120.1(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.6(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C12 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
C19 C18 C23 119.5(3) . . ?
C19 C18 P 120.4(2) . . ?
C23 C18 P 119.9(3) . . ?
C20 C19 C18 120.1(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.1(4) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C18 119.7(3) . . ?
C22 C23 H23 120.2 . . ?
C18 C23 H23 120.2 . . ?
N1 C24 C25 113.6(3) . . ?
N1 C24 H24A 108.8 . . ?
C25 C24 H24A 108.8 . . ?
N1 C24 H24B 108.8 . . ?
C25 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C29 C25 C26 117.1(3) . . ?
C29 C25 C24 122.3(3) . . ?
C26 C25 C24 120.6(3) . . ?
C27 C26 C25 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
N2 C27 C26 121.9(3) . . ?
N2 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
N2 C28 C29 123.0(4) . . ?
N2 C28 H28 118.5 . . ?
C29 C28 H28 118.5 . . ?
C28 C29 C25 119.6(3) . . ?
C28 C29 H29 120.2 . . ?
C25 C29 H29 120.2 . . ?
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
Cd N2 2.301(3) 4_665 ?
Cd Br1 2.5308(4) . ?
Cd Br2 2.5475(5) . ?
Cd P 2.5758(10) . ?
Fe C6 2.022(3) . ?
Fe C2 2.036(3) . ?
Fe C4 2.041(3) . ?
Fe C5 2.041(3) . ?
Fe C10 2.042(3) . ?
Fe C7 2.042(4) . ?
Fe C1 2.043(3) . ?
Fe C3 2.044(3) . ?
Fe C8 2.061(4) . ?
Fe C9 2.065(3) . ?
P C1 1.788(3) . ?
P C18 1.814(3) . ?
P C12 1.820(3) . ?
O C11 1.224(4) . ?
N1 C11 1.350(5) . ?
N1 C24 1.448(5) . ?
N1 H1N 1.0402 . ?
N2 C28 1.333(5) . ?
N2 C27 1.352(5) . ?
N2 Cd 2.301(3) 4_466 ?
C1 C2 1.435(5) . ?
C1 C5 1.435(5) . ?
C2 C3 1.425(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.401(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.415(5) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C10 1.430(5) . ?
C6 C7 1.431(5) . ?
C6 C11 1.486(5) . ?
C7 C8 1.421(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.412(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.410(5) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C12 C13 1.389(5) . ?
C12 C17 1.391(5) . ?
C13 C14 1.387(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.373(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.385(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.393(5) . ?
C18 C23 1.396(5) . ?
C19 C20 1.377(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.391(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.370(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.388(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.516(5) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C29 1.381(5) . ?
C25 C26 1.385(5) . ?
C26 C27 1.370(5) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.381(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
