#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/66/2206607.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2206607
loop_
_publ_author_name
'Ying-Jie Li'
'Hong-Xing Wang'
'Hong-Fei Wu'
_publ_section_title
;
 3-Chloro-N-ferrocenylmethyl-N-methylaniline
;
_journal_coeditor_code           XU6027
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1579
_journal_page_last               m1580
_journal_paper_doi               10.1107/S1600536805021835
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Fe (C5 H5) (C13 H13 Cl N)]'
_chemical_formula_moiety         'C18 H18 Cl Fe N'
_chemical_formula_sum            'C18 H18 Cl Fe N'
_chemical_formula_weight         339.63
_chemical_melting_point          356
_chemical_name_systematic
;
3-Chloro-N-ferrocenylmethyl-N-methylaniline
;
_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
_cell_angle_alpha                116.643(3)
_cell_angle_beta                 92.658(3)
_cell_angle_gamma                106.771(3)
_cell_formula_units_Z            2
_cell_length_a                   8.243(2)
_cell_length_b                   10.250(3)
_cell_length_c                   10.655(3)
_cell_measurement_reflns_used    3182
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      2.2
_cell_volume                     754.0(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0122
_diffrn_reflns_av_sigmaI/netI    0.0183
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4102
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.501
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2629
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.028
_refine_ls_R_factor_gt           0.026
_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)+(0.0419P)²+0.2296P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.071
_refine_ls_wR_factor_ref         0.072
_reflns_number_gt                2421
_reflns_number_total             2629
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            xu6027.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2206607
_cod_database_fobs_code          2206607
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Fe1 0.12214(3) 0.31435(3) 0.23723(3) 0.03497(11) Uani d . 1 Fe
Cl1 0.30560(8) 1.38747(6) 0.78932(6) 0.06204(17) Uani d . 1 Cl
N1 0.2332(2) 0.82188(17) 0.45326(16) 0.0403(4) Uani d . 1 N
C1 0.2899(3) 0.3222(2) 0.3894(2) 0.0482(5) Uani d . 1 C
H1 0.3586 0.4155 0.4786 0.058 Uiso calc R 1 H
C2 0.3413(3) 0.2655(3) 0.2557(3) 0.0560(5) Uani d . 1 C
H2 0.4521 0.3115 0.2358 0.067 Uiso calc R 1 H
C3 0.2047(3) 0.1284(3) 0.1565(2) 0.0568(6) Uani d . 1 C
H3 0.2037 0.0634 0.0552 0.068 Uiso calc R 1 H
C4 0.0702(3) 0.1022(2) 0.2281(2) 0.0493(5) Uani d . 1 C
H4 -0.0410 0.0160 0.1853 0.059 Uiso calc R 1 H
C5 0.1224(3) 0.2213(2) 0.3719(2) 0.0450(4) Uani d . 1 C
H5 0.0541 0.2326 0.4465 0.054 Uiso calc R 1 H
C6 -0.0268(2) 0.4515(2) 0.2975(2) 0.0430(4) Uani d . 1 C
H6 -0.0809 0.4760 0.3814 0.052 Uiso calc R 1 H
C7 -0.1022(3) 0.3238(2) 0.1583(3) 0.0568(6) Uani d . 1 C
H7 -0.2174 0.2444 0.1288 0.068 Uiso calc R 1 H
C8 0.0180(4) 0.3311(3) 0.0694(2) 0.0619(7) Uani d . 1 C
H8 0.0008 0.2569 -0.0325 0.074 Uiso calc R 1 H
C9 0.1684(3) 0.4621(2) 0.1526(2) 0.0498(5) Uani d . 1 C
H9 0.2730 0.4949 0.1185 0.060 Uiso calc R 1 H
C10 0.1417(2) 0.5376(2) 0.29490(19) 0.0376(4) Uani d . 1 C
C11 0.2685(2) 0.6794(2) 0.4203(2) 0.0421(4) Uani d . 1 C
H11A 0.2663 0.6643 0.5039 0.051 Uiso calc R 1 H
H11B 0.3840 0.6915 0.4005 0.051 Uiso calc R 1 H
C12 0.1766(3) 0.8424(2) 0.3348(2) 0.0490(5) Uani d . 1 C
H12A 0.0776 0.8747 0.3503 0.074 Uiso calc R 1 H
H12B 0.1460 0.7458 0.2471 0.074 Uiso calc R 1 H
H12C 0.2685 0.9204 0.3284 0.074 Uiso calc R 1 H
C13 0.3026(2) 0.9498(2) 0.58789(19) 0.0356(4) Uani d . 1 C
C14 0.3931(3) 0.9450(2) 0.6996(2) 0.0476(5) Uani d . 1 C
H14 0.4140 0.8545 0.6822 0.057 Uiso calc R 1 H
C15 0.4515(3) 1.0727(3) 0.8351(2) 0.0553(5) Uani d . 1 C
H15 0.5101 1.0657 0.9073 0.066 Uiso calc R 1 H
C16 0.4259(3) 1.2104(3) 0.8667(2) 0.0527(5) Uani d . 1 C
H16 0.4647 1.2955 0.9585 0.063 Uiso calc R 1 H
C17 0.3409(2) 1.2162(2) 0.7569(2) 0.0424(4) Uani d . 1 C
C18 0.2800(2) 1.0913(2) 0.6193(2) 0.0386(4) Uani d . 1 C
H18 0.2243 1.1011 0.5477 0.046 Uiso calc R 1 H
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'
Cl Cl 0.1484 0.1585 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C2 Fe1 C10 119.18(9) ?
C2 Fe1 C6 154.15(10) ?
C10 Fe1 C6 40.89(8) ?
C2 Fe1 C1 40.69(9) ?
C10 Fe1 C1 107.49(8) ?
C6 Fe1 C1 119.85(8) ?
C2 Fe1 C7 163.68(10) ?
C10 Fe1 C7 68.61(8) ?
C6 Fe1 C7 40.60(8) ?
C1 Fe1 C7 154.43(10) ?
C2 Fe1 C3 40.66(10) ?
C10 Fe1 C3 154.15(10) ?
C6 Fe1 C3 163.80(9) ?
C1 Fe1 C3 68.03(9) ?
C7 Fe1 C3 126.58(9) ?
C2 Fe1 C9 107.46(9) ?
C10 Fe1 C9 40.77(8) ?
C6 Fe1 C9 68.41(9) ?
C1 Fe1 C9 126.27(9) ?
C7 Fe1 C9 68.25(10) ?
C3 Fe1 C9 119.95(9) ?
C2 Fe1 C8 126.30(10) ?
C10 Fe1 C8 68.34(8) ?
C6 Fe1 C8 68.08(9) ?
C1 Fe1 C8 163.68(11) ?
C7 Fe1 C8 40.41(10) ?
C3 Fe1 C8 108.40(9) ?
C9 Fe1 C8 40.43(10) ?
C2 Fe1 C4 68.12(9) ?
C10 Fe1 C4 163.86(8) ?
C6 Fe1 C4 126.72(9) ?
C1 Fe1 C4 67.83(8) ?
C7 Fe1 C4 108.51(9) ?
C3 Fe1 C4 40.19(9) ?
C9 Fe1 C4 154.39(9) ?
C8 Fe1 C4 120.49(9) ?
C2 Fe1 C5 68.18(9) ?
C10 Fe1 C5 126.39(8) ?
C6 Fe1 C5 108.26(8) ?
C1 Fe1 C5 40.37(8) ?
C7 Fe1 C5 120.33(10) ?
C3 Fe1 C5 67.70(9) ?
C9 Fe1 C5 163.74(9) ?
C8 Fe1 C5 154.65(10) ?
C4 Fe1 C5 40.20(8) ?
C11 N1 C12 118.18(15) yes
C11 N1 C13 119.21(15) yes
C12 N1 C13 119.61(15) yes
C5 C1 C2 108.06(19) ?
C5 C1 Fe1 70.15(11) ?
C2 C1 Fe1 69.41(12) ?
C5 C1 H1 126.0 ?
C2 C1 H1 126.0 ?
Fe1 C1 H1 126.0 ?
C1 C2 C3 107.5(2) ?
C1 C2 Fe1 69.90(11) ?
C3 C2 Fe1 70.03(12) ?
C1 C2 H2 126.3 ?
C3 C2 H2 126.3 ?
Fe1 C2 H2 126.3 ?
C4 C3 C2 108.21(19) ?
C4 C3 Fe1 70.12(11) ?
C2 C3 Fe1 69.31(12) ?
C4 C3 H3 125.9 ?
C2 C3 H3 125.9 ?
Fe1 C3 H3 125.9 ?
C3 C4 C5 108.18(19) ?
C3 C4 Fe1 69.69(12) ?
C5 C4 Fe1 69.91(11) ?
C3 C4 H4 125.9 ?
C5 C4 H4 125.9 ?
Fe1 C4 H4 125.9 ?
C4 C5 C1 108.05(19) ?
C4 C5 Fe1 69.89(11) ?
C1 C5 Fe1 69.48(11) ?
C4 C5 H5 126.0 ?
C1 C5 H5 126.0 ?
Fe1 C5 H5 126.0 ?
C7 C6 C10 108.14(19) ?
C7 C6 Fe1 69.82(12) ?
C10 C6 Fe1 69.54(10) ?
C7 C6 H6 125.9 ?
C10 C6 H6 125.9 ?
Fe1 C6 H6 125.9 ?
C8 C7 C6 107.9(2) ?
C8 C7 Fe1 69.90(13) ?
C6 C7 Fe1 69.58(11) ?
C8 C7 H7 126.0 ?
C6 C7 H7 126.0 ?
Fe1 C7 H7 126.0 ?
C7 C8 C9 108.48(19) ?
C7 C8 Fe1 69.69(12) ?
C9 C8 Fe1 69.73(12) ?
C7 C8 H8 125.8 ?
C9 C8 H8 125.8 ?
Fe1 C8 H8 125.8 ?
C8 C9 C10 108.0(2) ?
C8 C9 Fe1 69.84(12) ?
C10 C9 Fe1 69.43(11) ?
C8 C9 H9 126.0 ?
C10 C9 H9 126.0 ?
Fe1 C9 H9 126.0 ?
C9 C10 C6 107.46(18) ?
C9 C10 C11 126.55(19) ?
C6 C10 C11 125.98(17) ?
C9 C10 Fe1 69.80(11) ?
C6 C10 Fe1 69.57(10) ?
C11 C10 Fe1 124.89(13) ?
N1 C11 C10 113.31(15) ?
N1 C11 H11A 108.9 ?
C10 C11 H11A 108.9 ?
N1 C11 H11B 108.9 ?
C10 C11 H11B 108.9 ?
H11A C11 H11B 107.7 ?
N1 C12 H12A 109.5 ?
N1 C12 H12B 109.5 ?
H12A C12 H12B 109.5 ?
N1 C12 H12C 109.5 ?
H12A C12 H12C 109.5 ?
H12B C12 H12C 109.5 ?
N1 C13 C14 122.67(16) ?
N1 C13 C18 120.31(16) ?
C14 C13 C18 117.00(17) ?
C15 C14 C13 120.93(18) ?
C15 C14 H14 119.5 ?
C13 C14 H14 119.5 ?
C16 C15 C14 122.05(19) ?
C16 C15 H15 119.0 ?
C14 C15 H15 119.0 ?
C17 C16 C15 117.02(18) ?
C17 C16 H16 121.5 ?
C15 C16 H16 121.5 ?
C16 C17 C18 123.07(18) ?
C16 C17 Cl1 119.38(15) ?
C18 C17 Cl1 117.55(16) ?
C17 C18 C13 119.90(18) ?
C17 C18 H18 120.1 ?
C13 C18 H18 120.1 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Fe1 C2 2.032(2) ?
Fe1 C10 2.0383(19) ?
Fe1 C6 2.0386(19) ?
Fe1 C1 2.0390(19) ?
Fe1 C7 2.042(2) ?
Fe1 C3 2.042(2) ?
Fe1 C9 2.043(2) ?
Fe1 C8 2.045(2) ?
Fe1 C4 2.048(2) ?
Fe1 C5 2.048(2) ?
Cl1 C17 1.746(2) ?
N1 C11 1.462(2) yes
N1 C12 1.448(2) yes
N1 C13 1.381(2) yes
C1 C5 1.410(3) ?
C1 C2 1.415(3) ?
C1 H1 0.9800 ?
C2 C3 1.416(3) ?
C2 H2 0.9800 ?
C3 C4 1.405(3) ?
C3 H3 0.9800 ?
C4 C5 1.407(3) ?
C4 H4 0.9800 ?
C5 H5 0.9800 ?
C6 C7 1.416(3) ?
C6 C10 1.424(3) ?
C6 H6 0.9800 ?
C7 C8 1.411(4) ?
C7 H7 0.9800 ?
C8 C9 1.413(3) ?
C8 H8 0.9800 ?
C9 C10 1.422(3) ?
C9 H9 0.9800 ?
C10 C11 1.498(3) ?
C11 H11A 0.9700 ?
C11 H11B 0.9700 ?
C12 H12A 0.9600 ?
C12 H12B 0.9600 ?
C12 H12C 0.9600 ?
C13 C14 1.403(3) ?
C13 C18 1.406(3) ?
C14 C15 1.380(3) ?
C14 H14 0.9300 ?
C15 C16 1.379(3) ?
C15 H15 0.9300 ?
C16 C17 1.368(3) ?
C16 H16 0.9300 ?
C17 C18 1.385(3) ?
C18 H18 0.9300 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C2 Fe1 C1 C5 -119.19(18)
C10 Fe1 C1 C5 126.13(12)
C6 Fe1 C1 C5 83.27(14)
C7 Fe1 C1 C5 49.3(2)
C3 Fe1 C1 C5 -80.96(14)
C9 Fe1 C1 C5 167.23(11)
C8 Fe1 C1 C5 -161.4(3)
C4 Fe1 C1 C5 -37.43(12)
C10 Fe1 C1 C2 -114.68(14)
C6 Fe1 C1 C2 -157.54(13)
C7 Fe1 C1 C2 168.47(18)
C3 Fe1 C1 C2 38.23(14)
C9 Fe1 C1 C2 -73.58(16)
C8 Fe1 C1 C2 -42.2(3)
C4 Fe1 C1 C2 81.76(15)
C5 Fe1 C1 C2 119.19(18)
C5 C1 C2 C3 -0.5(2)
Fe1 C1 C2 C3 -60.23(14)
C5 C1 C2 Fe1 59.74(14)
C10 Fe1 C2 C1 83.03(14)
C6 Fe1 C2 C1 49.5(2)
C7 Fe1 C2 C1 -162.1(3)
C3 Fe1 C2 C1 -118.25(19)
C9 Fe1 C2 C1 125.84(13)
C8 Fe1 C2 C1 166.46(13)
C4 Fe1 C2 C1 -80.99(14)
C5 Fe1 C2 C1 -37.52(13)
C10 Fe1 C2 C3 -158.72(13)
C6 Fe1 C2 C3 167.72(17)
C1 Fe1 C2 C3 118.25(19)
C7 Fe1 C2 C3 -43.9(4)
C9 Fe1 C2 C3 -115.91(14)
C8 Fe1 C2 C3 -75.29(17)
C4 Fe1 C2 C3 37.27(14)
C5 Fe1 C2 C3 80.73(14)
C1 C2 C3 C4 0.6(2)
Fe1 C2 C3 C4 -59.53(14)
C1 C2 C3 Fe1 60.15(14)
C2 Fe1 C3 C4 119.46(19)
C10 Fe1 C3 C4 166.08(16)
C6 Fe1 C3 C4 -41.1(3)
C1 Fe1 C3 C4 81.20(14)
C7 Fe1 C3 C4 -74.58(16)
C9 Fe1 C3 C4 -158.54(13)
C8 Fe1 C3 C4 -115.78(14)
C5 Fe1 C3 C4 37.47(12)
C10 Fe1 C3 C2 46.6(2)
C6 Fe1 C3 C2 -160.6(3)
C1 Fe1 C3 C2 -38.26(13)
C7 Fe1 C3 C2 165.96(14)
C9 Fe1 C3 C2 81.99(16)
C8 Fe1 C3 C2 124.76(15)
C4 Fe1 C3 C2 -119.46(19)
C5 Fe1 C3 C2 -82.00(14)
C2 C3 C4 C5 -0.5(2)
Fe1 C3 C4 C5 -59.53(13)
C2 C3 C4 Fe1 59.03(14)
C2 Fe1 C4 C3 -37.68(14)
C10 Fe1 C4 C3 -157.8(3)
C6 Fe1 C4 C3 166.76(12)
C1 Fe1 C4 C3 -81.74(14)
C7 Fe1 C4 C3 125.29(14)
C9 Fe1 C4 C3 47.2(3)
C8 Fe1 C4 C3 82.57(16)
C5 Fe1 C4 C3 -119.32(18)
C2 Fe1 C4 C5 81.63(14)
C10 Fe1 C4 C5 -38.5(3)
C6 Fe1 C4 C5 -73.92(15)
C1 Fe1 C4 C5 37.58(12)
C7 Fe1 C4 C5 -115.40(14)
C3 Fe1 C4 C5 119.32(18)
C9 Fe1 C4 C5 166.48(19)
C8 Fe1 C4 C5 -158.11(14)
C3 C4 C5 C1 0.2(2)
Fe1 C4 C5 C1 -59.20(13)
C3 C4 C5 Fe1 59.39(14)
C2 C1 C5 C4 0.2(2)
Fe1 C1 C5 C4 59.46(13)
C2 C1 C5 Fe1 -59.27(14)
C2 Fe1 C5 C4 -81.49(14)
C10 Fe1 C5 C4 167.58(12)
C6 Fe1 C5 C4 125.80(13)
C1 Fe1 C5 C4 -119.30(18)
C7 Fe1 C5 C4 82.96(14)
C3 Fe1 C5 C4 -37.46(13)
C9 Fe1 C5 C4 -158.9(3)
C8 Fe1 C5 C4 48.6(3)
C2 Fe1 C5 C1 37.81(13)
C10 Fe1 C5 C1 -73.12(14)
C6 Fe1 C5 C1 -114.90(13)
C7 Fe1 C5 C1 -157.73(12)
C3 Fe1 C5 C1 81.84(14)
C9 Fe1 C5 C1 -39.5(3)
C8 Fe1 C5 C1 167.91(19)
C4 Fe1 C5 C1 119.30(18)
C2 Fe1 C6 C7 166.92(19)
C10 Fe1 C6 C7 119.41(18)
C1 Fe1 C6 C7 -158.24(14)
C3 Fe1 C6 C7 -42.9(3)
C9 Fe1 C6 C7 81.33(15)
C8 Fe1 C6 C7 37.65(14)
C4 Fe1 C6 C7 -74.83(16)
C5 Fe1 C6 C7 -115.61(14)
C2 Fe1 C6 C10 47.5(2)
C1 Fe1 C6 C10 82.35(13)
C7 Fe1 C6 C10 -119.41(18)
C3 Fe1 C6 C10 -162.3(3)
C9 Fe1 C6 C10 -38.08(11)
C8 Fe1 C6 C10 -81.77(13)
C4 Fe1 C6 C10 165.76(11)
C5 Fe1 C6 C10 124.98(11)
C10 C6 C7 C8 -0.4(2)
Fe1 C6 C7 C8 -59.62(14)
C10 C6 C7 Fe1 59.19(13)
C2 Fe1 C7 C8 -40.4(4)
C10 Fe1 C7 C8 81.29(13)
C6 Fe1 C7 C8 119.06(18)
C1 Fe1 C7 C8 167.23(17)
C3 Fe1 C7 C8 -74.61(16)
C9 Fe1 C7 C8 37.30(13)
C4 Fe1 C7 C8 -115.61(13)
C5 Fe1 C7 C8 -158.11(12)
C2 Fe1 C7 C6 -159.5(3)
C10 Fe1 C7 C6 -37.77(12)
C1 Fe1 C7 C6 48.2(2)
C3 Fe1 C7 C6 166.33(12)
C9 Fe1 C7 C6 -81.76(13)
C8 Fe1 C7 C6 -119.06(18)
C4 Fe1 C7 C6 125.33(13)
C5 Fe1 C7 C6 82.83(14)
C6 C7 C8 C9 0.3(2)
Fe1 C7 C8 C9 -59.12(15)
C6 C7 C8 Fe1 59.42(14)
C2 Fe1 C8 C7 166.94(13)
C10 Fe1 C8 C7 -82.01(13)
C6 Fe1 C8 C7 -37.82(12)
C1 Fe1 C8 C7 -160.2(3)
C3 Fe1 C8 C7 125.32(14)
C9 Fe1 C8 C7 -119.80(18)
C4 Fe1 C8 C7 82.91(15)
C5 Fe1 C8 C7 48.7(2)
C2 Fe1 C8 C9 -73.26(16)
C10 Fe1 C8 C9 37.79(13)
C6 Fe1 C8 C9 81.98(14)
C1 Fe1 C8 C9 -40.4(4)
C7 Fe1 C8 C9 119.80(18)
C3 Fe1 C8 C9 -114.88(14)
C4 Fe1 C8 C9 -157.29(13)
C5 Fe1 C8 C9 168.52(17)
C7 C8 C9 C10 0.0(2)
Fe1 C8 C9 C10 -59.14(14)
C7 C8 C9 Fe1 59.09(15)
C2 Fe1 C9 C8 125.99(15)
C10 Fe1 C9 C8 -119.3(2)
C6 Fe1 C9 C8 -81.12(15)
C1 Fe1 C9 C8 166.96(14)
C7 Fe1 C9 C8 -37.27(14)
C3 Fe1 C9 C8 83.43(17)
C4 Fe1 C9 C8 50.3(3)
C5 Fe1 C9 C8 -162.3(3)
C2 Fe1 C9 C10 -114.70(13)
C6 Fe1 C9 C10 38.19(12)
C1 Fe1 C9 C10 -73.74(15)
C7 Fe1 C9 C10 82.03(13)
C3 Fe1 C9 C10 -157.26(13)
C8 Fe1 C9 C10 119.3(2)
C4 Fe1 C9 C10 169.63(17)
C5 Fe1 C9 C10 -43.0(3)
C8 C9 C10 C6 -0.2(2)
Fe1 C9 C10 C6 -59.62(12)
C8 C9 C10 C11 178.48(18)
Fe1 C9 C10 C11 119.08(18)
C8 C9 C10 Fe1 59.40(14)
C7 C6 C10 C9 0.4(2)
Fe1 C6 C10 C9 59.77(13)
C7 C6 C10 C11 -178.30(17)
Fe1 C6 C10 C11 -118.94(18)
C7 C6 C10 Fe1 -59.36(13)
C2 Fe1 C10 C9 83.03(15)
C6 Fe1 C10 C9 -118.57(17)
C1 Fe1 C10 C9 125.76(14)
C7 Fe1 C10 C9 -81.07(15)
C3 Fe1 C10 C9 50.2(2)
C8 Fe1 C10 C9 -37.48(15)
C4 Fe1 C10 C9 -163.8(3)
C5 Fe1 C10 C9 166.29(13)
C2 Fe1 C10 C6 -158.39(12)
C1 Fe1 C10 C6 -115.67(12)
C7 Fe1 C10 C6 37.50(13)
C3 Fe1 C10 C6 168.76(17)
C9 Fe1 C10 C6 118.57(17)
C8 Fe1 C10 C6 81.09(14)
C4 Fe1 C10 C6 -45.2(3)
C5 Fe1 C10 C6 -75.14(14)
C2 Fe1 C10 C11 -38.10(19)
C6 Fe1 C10 C11 120.3(2)
C1 Fe1 C10 C11 4.63(18)
C7 Fe1 C10 C11 157.80(19)
C3 Fe1 C10 C11 -70.9(3)
C9 Fe1 C10 C11 -121.1(2)
C8 Fe1 C10 C11 -158.6(2)
C4 Fe1 C10 C11 75.1(3)
C5 Fe1 C10 C11 45.2(2)
C13 N1 C11 C10 160.19(16)
C12 N1 C11 C10 -39.5(2)
C9 C10 C11 N1 101.4(2)
C6 C10 C11 N1 -80.2(2)
Fe1 C10 C11 N1 -169.03(13)
C12 N1 C13 C14 -166.08(19)
C11 N1 C13 C14 -6.0(3)
C12 N1 C13 C18 15.8(3)
C11 N1 C13 C18 175.84(17)
N1 C13 C14 C15 -176.10(19)
C18 C13 C14 C15 2.1(3)
C13 C14 C15 C16 -0.7(4)
C14 C15 C16 C17 -0.7(3)
C15 C16 C17 C18 0.6(3)
C15 C16 C17 Cl1 -179.52(17)
C16 C17 C18 C13 0.9(3)
Cl1 C17 C18 C13 -179.01(14)
N1 C13 C18 C17 176.07(17)
C14 C13 C18 C17 -2.2(3)
