#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:35:27 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179755 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/51/7005159.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_7005159
loop_
_publ_author_name
'Tschirschwitz, Steffen'
'Lönnecke, Peter'
'Hey-Hawkins, Evamarie'
_publ_section_title
;
 Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile
 chiral starting materials.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1377
_journal_page_last               1382
_journal_paper_doi               10.1039/b617257a
_journal_year                    2007
_chemical_formula_sum            'C37 H44 Cl2 Fe N P Si'
_chemical_formula_weight         688.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-11-14T12:23:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 95.2190(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.29870(10)
_cell_length_b                   21.9790(2)
_cell_length_c                   14.68120(10)
_cell_measurement_reflns_used    32151
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.2282
_cell_measurement_theta_min      2.6828
_cell_volume                     3309.39(5)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       'ω scans and φ scans'
_diffrn_orient_matrix_UB_11      -0.0036132007
_diffrn_orient_matrix_UB_12      0.0317572015
_diffrn_orient_matrix_UB_13      -0.0076322812
_diffrn_orient_matrix_UB_21      0.028396904
_diffrn_orient_matrix_UB_22      -0.003807979
_diffrn_orient_matrix_UB_23      -0.041842872
_diffrn_orient_matrix_UB_31      -0.0629361235
_diffrn_orient_matrix_UB_32      -0.0035572133
_diffrn_orient_matrix_UB_33      -0.0233075638
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49152
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    0.73
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.83904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1448
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.54
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         9966
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0374
_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)+(0.0471P)²+2.1585P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1042
_reflns_number_gt                8304
_reflns_number_total             9966
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b617257a.txt
_cod_data_source_block           x0062fin
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7005159
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Fe1 Fe 0.13073(2) 0.102868(10) 0.925701(14) 0.01772(6) Uani 1 1 d . A .
Cl1 Cl 0.18594(5) -0.05318(2) 0.82009(3) 0.03573(11) Uani 1 1 d . . .
Cl2 Cl 0.48721(5) -0.03561(2) 0.84733(3) 0.03384(10) Uani 1 1 d . . .
P1 P 0.32639(4) 0.01901(2) 0.80882(3) 0.02365(9) Uani 1 1 d . . .
Si1 Si 0.28864(4) 0.21916(2) 1.05960(3) 0.01901(9) Uani 1 1 d . . .
N1 N 0.48410(13) 0.10640(6) 0.81694(9) 0.0222(3) Uani 1 1 d . . .
C1 C 0.29925(15) 0.05628(7) 0.91422(10) 0.0190(3) Uani 1 1 d . A .
C2 C 0.32514(14) 0.12036(7) 0.92349(10) 0.0178(3) Uani 1 1 d . . .
C3 C 0.28203(14) 0.14143(7) 1.00856(10) 0.0180(3) Uani 1 1 d . A .
C4 C 0.23020(15) 0.08847(7) 1.05077(10) 0.0208(3) Uani 1 1 d . . .
H4 H 0.1947 0.0882 1.1083 0.025 Uiso 1 1 calc R A .
C5 C 0.24007(15) 0.03704(7) 0.99386(11) 0.0207(3) Uani 1 1 d . A .
H5 H 0.2124 -0.0031 1.0063 0.025 Uiso 1 1 calc R . .
C6 C 0.01581(17) 0.09142(9) 0.80550(12) 0.0300(4) Uani 1 1 d . . .
H6 H 0.0403 0.0726 0.7514 0.036 Uiso 1 1 calc R A .
C7 C 0.02846(17) 0.15413(9) 0.82697(12) 0.0292(4) Uani 1 1 d . A .
H7 H 0.0639 0.1845 0.7904 0.035 Uiso 1 1 calc R . .
C8 C -0.02148(16) 0.16332(9) 0.91318(12) 0.0281(3) Uani 1 1 d . . .
H8 H -0.026 0.2011 0.944 0.034 Uiso 1 1 calc R A .
C9 C -0.06345(16) 0.10621(9) 0.94524(12) 0.0282(4) Uani 1 1 d . A .
H9 H -0.1007 0.0991 1.0011 0.034 Uiso 1 1 calc R . .
C10 C -0.03960(16) 0.06143(9) 0.87835(13) 0.0301(4) Uani 1 1 d . A .
H10 H -0.0576 0.0192 0.8819 0.036 Uiso 1 1 calc R . .
C11 C 0.39518(15) 0.15177(7) 0.85141(11) 0.0208(3) Uani 1 1 d . A .
H11A H 0.3322 0.1663 0.8012 0.025 Uiso 1 1 calc R . .
H11B H 0.445 0.1871 0.8778 0.025 Uiso 1 1 calc R . .
C12 C 0.60079(17) 0.09967(9) 0.88139(13) 0.0298(4) Uani 1 1 d . . .
H12A H 0.6597 0.0698 0.8575 0.045 Uiso 1 1 calc R . .
H12B H 0.5753 0.0857 0.9406 0.045 Uiso 1 1 calc R . .
H12C H 0.6454 0.139 0.8891 0.045 Uiso 1 1 calc R . .
C13 C 0.5203(2) 0.12256(10) 0.72588(13) 0.0349(4) Uani 1 1 d . . .
H13A H 0.4415 0.1255 0.6833 0.052 Uiso 1 1 calc R . .
H13B H 0.578 0.0912 0.7046 0.052 Uiso 1 1 calc R . .
H13C H 0.5656 0.1618 0.7288 0.052 Uiso 1 1 calc R . .
C14 C 0.46476(16) 0.24222(8) 1.07832(10) 0.0228(3) Uani 1 1 d . A .
C15 C 0.56349(18) 0.19853(9) 1.08462(13) 0.0296(4) Uani 1 1 d . . .
H15 H 0.541 0.1566 1.0807 0.036 Uiso 1 1 calc R A .
C16 C 0.69383(19) 0.21509(11) 1.09651(14) 0.0377(4) Uani 1 1 d . A .
H16 H 0.7598 0.1848 1.1 0.045 Uiso 1 1 calc R . .
C17 C 0.7274(2) 0.27612(12) 1.10325(14) 0.0423(5) Uani 1 1 d . . .
H17 H 0.8166 0.2877 1.1115 0.051 Uiso 1 1 calc R A .
C18 C 0.6317(2) 0.31970(10) 1.09795(14) 0.0416(5) Uani 1 1 d . A .
H18 H 0.655 0.3615 1.103 0.05 Uiso 1 1 calc R . .
C19 C 0.5015(2) 0.30339(9) 1.08535(13) 0.0330(4) Uani 1 1 d . . .
H19 H 0.4363 0.3341 1.0814 0.04 Uiso 1 1 calc R A .
C26 C 0.21269(16) 0.21407(7) 1.17073(10) 0.0205(3) Uani 1 1 d . A .
C27 C 0.08370(17) 0.19400(9) 1.17354(12) 0.0288(4) Uani 1 1 d . . .
H27 H 0.034 0.1837 1.118 0.035 Uiso 1 1 calc R A .
C28 C 0.02714(18) 0.18890(9) 1.25538(13) 0.0315(4) Uani 1 1 d . A .
H28 H -0.0603 0.1752 1.2557 0.038 Uiso 1 1 calc R . .
C29 C 0.09862(19) 0.20393(9) 1.33662(12) 0.0292(4) Uani 1 1 d . . .
H29 H 0.0604 0.2004 1.3929 0.035 Uiso 1 1 calc R A .
C30 C 0.2252(2) 0.22394(10) 1.33595(12) 0.0344(4) Uani 1 1 d . A .
H30 H 0.274 0.2346 1.3917 0.041 Uiso 1 1 calc R . .
C31 C 0.28187(18) 0.22862(9) 1.25363(12) 0.0288(4) Uani 1 1 d . . .
H31 H 0.3696 0.242 1.2541 0.035 Uiso 1 1 calc R A .
C20 C 0.1951(2) 0.27720(11) 0.98520(18) 0.0209(4) Uani 0.853(3) 1 d PD A 1
C21 C 0.2258(6) 0.2903(2) 0.8969(3) 0.0318(4) Uani 0.853(3) 1 d PD A 1
H21 H 0.2963 0.2693 0.8736 0.038 Uiso 0.853(3) 1 calc PR A 1
C22 C 0.1578(4) 0.3327(2) 0.8418(3) 0.0376(8) Uani 0.853(3) 1 d PD A 1
H22 H 0.1834 0.3414 0.7827 0.045 Uiso 0.853(3) 1 calc PR A 1
C23 C 0.0536(3) 0.36201(13) 0.87267(18) 0.0445(7) Uani 0.853(3) 1 d PD A 1
H23 H 0.0067 0.3912 0.8351 0.053 Uiso 0.853(3) 1 calc PR A 1
C24 C 0.0165(3) 0.34917(14) 0.9584(2) 0.0501(7) Uani 0.853(3) 1 d PD A 1
H24 H -0.0579 0.3686 0.9792 0.06 Uiso 0.853(3) 1 calc PR A 1
C25 C 0.0879(3) 0.30778(12) 1.01468(16) 0.0379(5) Uani 0.853(3) 1 d PD A 1
H25 H 0.063 0.3002 1.0744 0.046 Uiso 0.853(3) 1 calc PR A 1
C20F C 0.2295(15) 0.2847(7) 0.9893(12) 0.0209(4) Uani 0.147(3) 1 d PD A 2
C21F C 0.228(3) 0.2868(13) 0.8943(15) 0.0318(4) Uani 0.147(3) 1 d PD A 2
H21F H 0.2619 0.2537 0.8624 0.038 Uiso 0.147(3) 1 calc PR A 2
C22F C 0.177(3) 0.3368(12) 0.8463(18) 0.0376(8) Uani 0.147(3) 1 d PD A 2
H22F H 0.1751 0.3369 0.7814 0.045 Uiso 0.147(3) 1 calc PR A 2
C23F C 0.1313(16) 0.3857(8) 0.8893(9) 0.0445(7) Uani 0.147(3) 1 d PD A 2
H23F H 0.1041 0.421 0.8555 0.053 Uiso 0.147(3) 1 calc PR A 2
C24F C 0.1242(15) 0.3837(7) 0.9827(9) 0.0501(7) Uani 0.147(3) 1 d PD A 2
H24F H 0.0807 0.4149 1.0127 0.06 Uiso 0.147(3) 1 calc PR A 2
C25F C 0.1822(13) 0.3348(6) 1.0325(8) 0.0379(5) Uani 0.147(3) 1 d PD A 2
H25F H 0.1891 0.3362 1.0974 0.046 Uiso 0.147(3) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 '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'
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'
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
C1 Fe1 C5 41.12(6) . . ?
C1 Fe1 C10 117.40(7) . . ?
C5 Fe1 C10 105.64(7) . . ?
C1 Fe1 C2 41.29(6) . . ?
C5 Fe1 C2 69.08(6) . . ?
C10 Fe1 C2 153.12(7) . . ?
C1 Fe1 C4 68.60(6) . . ?
C5 Fe1 C4 40.55(6) . . ?
C10 Fe1 C4 125.57(7) . . ?
C2 Fe1 C4 68.38(6) . . ?
C1 Fe1 C9 151.75(7) . . ?
C5 Fe1 C9 117.36(7) . . ?
C10 Fe1 C9 40.86(7) . . ?
C2 Fe1 C9 165.28(7) . . ?
C4 Fe1 C9 107.20(7) . . ?
C1 Fe1 C6 107.28(7) . . ?
C5 Fe1 C6 125.84(7) . . ?
C10 Fe1 C6 40.61(8) . . ?
C2 Fe1 C6 119.99(7) . . ?
C4 Fe1 C6 163.25(8) . . ?
C9 Fe1 C6 68.28(7) . . ?
C1 Fe1 C7 127.24(7) . . ?
C5 Fe1 C7 164.22(7) . . ?
C10 Fe1 C7 68.53(8) . . ?
C2 Fe1 C7 109.07(7) . . ?
C4 Fe1 C7 154.62(7) . . ?
C9 Fe1 C7 68.51(8) . . ?
C6 Fe1 C7 40.46(8) . . ?
C1 Fe1 C8 165.78(7) . . ?
C5 Fe1 C8 152.55(7) . . ?
C10 Fe1 C8 68.42(8) . . ?
C2 Fe1 C8 128.27(7) . . ?
C4 Fe1 C8 119.83(7) . . ?
C9 Fe1 C8 40.60(8) . . ?
C6 Fe1 C8 68.00(7) . . ?
C7 Fe1 C8 40.62(7) . . ?
C1 Fe1 C3 69.67(6) . . ?
C5 Fe1 C3 69.48(6) . . ?
C10 Fe1 C3 163.88(7) . . ?
C2 Fe1 C3 40.99(6) . . ?
C4 Fe1 C3 41.09(6) . . ?
C9 Fe1 C3 126.58(7) . . ?
C6 Fe1 C3 154.39(7) . . ?
C7 Fe1 C3 120.11(7) . . ?
C8 Fe1 C3 108.42(7) . . ?
C1 P1 Cl2 102.21(6) . . ?
C1 P1 Cl1 96.39(5) . . ?
Cl2 P1 Cl1 94.43(3) . . ?
C20F Si1 C3 119.5(5) . . ?
C20F Si1 C26 113.0(5) . . ?
C3 Si1 C26 106.98(7) . . ?
C20F Si1 C14 97.8(5) . . ?
C3 Si1 C14 107.78(7) . . ?
C26 Si1 C14 111.24(7) . . ?
C20F Si1 C20 11.9(5) . . ?
C3 Si1 C20 112.89(9) . . ?
C26 Si1 C20 108.22(9) . . ?
C14 Si1 C20 109.73(8) . . ?
C13 N1 C12 110.58(14) . . ?
C13 N1 C11 111.53(13) . . ?
C12 N1 C11 110.16(14) . . ?
C5 C1 C2 107.54(13) . . ?
C5 C1 P1 132.91(12) . . ?
C2 C1 P1 119.12(11) . . ?
C5 C1 Fe1 69.59(9) . . ?
C2 C1 Fe1 69.60(8) . . ?
P1 C1 Fe1 120.12(8) . . ?
C1 C2 C3 109.15(13) . . ?
C1 C2 C11 118.71(13) . . ?
C3 C2 C11 132.02(14) . . ?
C1 C2 Fe1 69.11(8) . . ?
C3 C2 Fe1 70.52(8) . . ?
C11 C2 Fe1 129.22(11) . . ?
C2 C3 C4 105.57(13) . . ?
C2 C3 Si1 129.84(11) . . ?
C4 C3 Si1 124.59(11) . . ?
C2 C3 Fe1 68.49(8) . . ?
C4 C3 Fe1 68.53(9) . . ?
Si1 C3 Fe1 127.56(8) . . ?
C5 C4 C3 109.96(13) . . ?
C5 C4 Fe1 69.53(9) . . ?
C3 C4 Fe1 70.38(8) . . ?
C4 C5 C1 107.77(13) . . ?
C4 C5 Fe1 69.93(9) . . ?
C1 C5 Fe1 69.30(9) . . ?
C7 C6 C10 108.61(16) . . ?
C7 C6 Fe1 69.81(10) . . ?
C10 C6 Fe1 69.42(10) . . ?
C6 C7 C8 107.60(17) . . ?
C6 C7 Fe1 69.74(10) . . ?
C8 C7 Fe1 69.71(10) . . ?
C9 C8 C7 108.33(16) . . ?
C9 C8 Fe1 69.59(10) . . ?
C7 C8 Fe1 69.67(10) . . ?
C8 C9 C10 107.73(16) . . ?
C8 C9 Fe1 69.82(9) . . ?
C10 C9 Fe1 69.36(9) . . ?
C6 C10 C9 107.72(17) . . ?
C6 C10 Fe1 69.98(10) . . ?
C9 C10 Fe1 69.78(10) . . ?
N1 C11 C2 106.51(12) . . ?
C15 C14 C19 117.79(17) . . ?
C15 C14 Si1 120.79(13) . . ?
C19 C14 Si1 121.41(14) . . ?
C16 C15 C14 121.27(18) . . ?
C15 C16 C17 119.7(2) . . ?
C18 C17 C16 119.90(19) . . ?
C17 C18 C19 120.61(19) . . ?
C18 C19 C14 120.7(2) . . ?
C31 C26 C27 117.22(14) . . ?
C31 C26 Si1 121.78(12) . . ?
C27 C26 Si1 120.99(12) . . ?
C28 C27 C26 121.61(16) . . ?
C29 C28 C27 119.68(17) . . ?
C30 C29 C28 120.00(16) . . ?
C29 C30 C31 120.10(17) . . ?
C26 C31 C30 121.38(16) . . ?
C21 C20 C25 116.3(3) . . ?
C21 C20 Si1 122.1(2) . . ?
C25 C20 Si1 121.55(18) . . ?
C22 C21 C20 122.5(4) . . ?
C23 C22 C21 119.8(4) . . ?
C22 C23 C24 119.9(3) . . ?
C23 C24 C25 120.0(2) . . ?
C24 C25 C20 121.4(2) . . ?
C25F C20F C21F 117.3(15) . . ?
C25F C20F Si1 118.6(12) . . ?
C21F C20F Si1 124.1(14) . . ?
C22F C21F C20F 120(2) . . ?
C23F C22F C21F 122(2) . . ?
C22F C23F C24F 119.4(15) . . ?
C23F C24F C25F 119.0(12) . . ?
C20F C25F C24F 121.5(12) . . ?
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
Fe1 C1 2.0352(15) . ?
Fe1 C5 2.0390(16) . ?
Fe1 C10 2.0416(17) . ?
Fe1 C2 2.0418(15) . ?
Fe1 C4 2.0442(16) . ?
Fe1 C9 2.0473(16) . ?
Fe1 C6 2.0489(17) . ?
Fe1 C7 2.0499(18) . ?
Fe1 C8 2.0503(17) . ?
Fe1 C3 2.0691(15) . ?
Cl1 P1 2.1635(6) . ?
Cl2 P1 2.0817(6) . ?
P1 C1 1.7952(15) . ?
Si1 C20F 1.842(18) . ?
Si1 C3 1.8644(16) . ?
Si1 C26 1.8757(15) . ?
Si1 C14 1.8793(17) . ?
Si1 C20 1.886(3) . ?
N1 C13 1.464(2) . ?
N1 C12 1.468(2) . ?
N1 C11 1.474(2) . ?
C1 C5 1.431(2) . ?
C1 C2 1.438(2) . ?
C2 C3 1.440(2) . ?
C2 C11 1.502(2) . ?
C3 C4 1.444(2) . ?
C4 C5 1.415(2) . ?
C6 C7 1.417(3) . ?
C6 C10 1.419(3) . ?
C7 C8 1.423(3) . ?
C8 C9 1.421(3) . ?
C9 C10 1.427(3) . ?
C14 C15 1.395(3) . ?
C14 C19 1.398(2) . ?
C15 C16 1.386(3) . ?
C16 C17 1.387(3) . ?
C17 C18 1.371(4) . ?
C18 C19 1.385(3) . ?
C26 C31 1.390(2) . ?
C26 C27 1.404(2) . ?
C27 C28 1.387(2) . ?
C28 C29 1.383(3) . ?
C29 C30 1.377(3) . ?
C30 C31 1.393(2) . ?
C20 C21 1.393(4) . ?
C20 C25 1.395(3) . ?
C21 C22 1.382(4) . ?
C22 C23 1.363(4) . ?
C23 C24 1.378(4) . ?
C24 C25 1.393(3) . ?
C20F C25F 1.382(15) . ?
C20F C21F 1.394(16) . ?
C21F C22F 1.382(16) . ?
C22F C23F 1.354(17) . ?
C23F C24F 1.380(15) . ?
C24F C25F 1.402(14) . ?
