#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:11:52 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180172 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/68/7106853.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_7106853
loop_
_publ_author_name
'Daniel Nieto'
'Ana Ma Gonzalez-Vadillo'
'Sonia Bruna'
'Cesar J. Pastor'
'Angel E. Kaifer'
'Isabel Cuadrado'
_publ_section_title
;
 Pt(II)-activated coupling of aminoethylferrocene with benzonitrile. A
 facile access route to a new redox-active bis(ferrocenyl-amidine) anion
 sensor
;
_journal_name_full               Chem.Commun.
_journal_page_first              10398
_journal_paper_doi               10.1039/c1cc13704b
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C38 H40 Cl2 Fe2 N4 Pt'
_chemical_formula_weight         930.43
_chemical_name_systematic
;
?
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.7530(10)
_cell_angle_beta                 106.7760(10)
_cell_angle_gamma                111.6960(10)
_cell_formula_units_Z            1
_cell_length_a                   7.8666(2)
_cell_length_b                   9.8807(2)
_cell_length_c                   12.7945(3)
_cell_measurement_reflns_used    217
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.221
_cell_measurement_theta_min      3.945
_cell_volume                     856.13(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8987
_diffrn_reflns_theta_full        69.34
_diffrn_reflns_theta_max         69.34
_diffrn_reflns_theta_min         3.73
_exptl_absorpt_coefficient_mu    15.887
_exptl_absorpt_correction_T_max  0.329
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS - Bruker Nonius area detector scaling and absorption correction - V2.10'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             460
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.964
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0569P)²+0.3191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0759
_reflns_number_gt                2990
_reflns_number_total             3057
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc13704b.txt
_cod_data_source_block           datos_m
_cod_original_cell_volume        856.13(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106853
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Pt1 Pt 0.5000 0.5000 0.0000 0.01631(10) Uani 1 2 d S . .
Fe1 Fe 1.02743(8) 0.18667(6) 0.33254(5) 0.02018(15) Uani 1 1 d . . .
C1 C 0.6915(5) 0.3243(4) -0.1062(3) 0.0195(7) Uani 1 1 d . . .
C2 C 0.7726(5) 0.3120(4) -0.1972(3) 0.0191(7) Uani 1 1 d . . .
C3 C 0.6566(6) 0.2908(4) -0.3083(3) 0.0241(8) Uani 1 1 d . . .
H3 H 0.5242 0.2763 -0.3258 0.029 Uiso 1 1 calc R . .
C4 C 0.7318(6) 0.2907(5) -0.3934(3) 0.0262(8) Uani 1 1 d . . .
H4 H 0.6513 0.2759 -0.4691 0.031 Uiso 1 1 calc R . .
C5 C 0.9256(6) 0.3124(4) -0.3680(3) 0.0252(8) Uani 1 1 d . . .
H5 H 0.9781 0.3139 -0.4263 0.030 Uiso 1 1 calc R . .
C6 C 1.0430(6) 0.3320(4) -0.2578(3) 0.0239(7) Uani 1 1 d . . .
H6 H 1.1751 0.3462 -0.2409 0.029 Uiso 1 1 calc R . .
C7 C 0.9668(5) 0.3308(4) -0.1722(3) 0.0210(7) Uani 1 1 d . . .
H7 H 1.0463 0.3427 -0.0970 0.025 Uiso 1 1 calc R . .
C8 C 0.7354(6) 0.1052(4) -0.0420(3) 0.0228(7) Uani 1 1 d . . .
H8A H 0.7758 0.0921 -0.1076 0.027 Uiso 1 1 calc R . .
H8B H 0.6120 0.0165 -0.0554 0.027 Uiso 1 1 calc R . .
C9 C 0.8950(6) 0.1141(4) 0.0650(3) 0.0241(7) Uani 1 1 d . . .
H9A H 0.9134 0.0201 0.0554 0.029 Uiso 1 1 calc R . .
H9B H 1.0204 0.1987 0.0751 0.029 Uiso 1 1 calc R . .
C10 C 0.8463(5) 0.1360(4) 0.1687(3) 0.0217(7) Uani 1 1 d . . .
C11 C 0.8692(6) 0.2757(5) 0.2310(3) 0.0247(8) Uani 1 1 d . . .
H11 H 0.9208 0.3707 0.2146 0.030 Uiso 1 1 calc R . .
C12 C 0.8020(6) 0.2483(5) 0.3215(3) 0.0287(8) Uani 1 1 d . . .
H12 H 0.8002 0.3214 0.3759 0.034 Uiso 1 1 calc R . .
C13 C 0.7380(6) 0.0926(5) 0.3162(3) 0.0295(9) Uani 1 1 d . . .
H13 H 0.6862 0.0435 0.3668 0.035 Uiso 1 1 calc R . .
C14 C 0.7641(5) 0.0224(5) 0.2225(3) 0.0253(8) Uani 1 1 d . . .
H14 H 0.7327 -0.0816 0.1995 0.030 Uiso 1 1 calc R . .
C15 C 1.3159(6) 0.3338(5) 0.3784(4) 0.0292(8) Uani 1 1 d . . .
H15 H 1.3647 0.4220 0.3531 0.035 Uiso 1 1 calc R . .
C16 C 1.2604(6) 0.3253(5) 0.4741(4) 0.0310(9) Uani 1 1 d . . .
H16 H 1.2656 0.4071 0.5241 0.037 Uiso 1 1 calc R . .
C17 C 1.1956(6) 0.1742(5) 0.4829(3) 0.0299(9) Uani 1 1 d . . .
H17 H 1.1496 0.1366 0.5392 0.036 Uiso 1 1 calc R . .
C18 C 1.2124(6) 0.0889(5) 0.3911(4) 0.0309(9) Uani 1 1 d . . .
H18 H 1.1800 -0.0158 0.3759 0.037 Uiso 1 1 calc R . .
C19 C 1.2857(6) 0.1877(5) 0.3269(4) 0.0309(9) Uani 1 1 d . . .
H19 H 1.3104 0.1606 0.2608 0.037 Uiso 1 1 calc R . .
Cl1 Cl 0.41655(15) 0.29625(11) 0.07649(9) 0.0325(2) Uani 1 1 d . . .
N1 N 0.6178(4) 0.4229(4) -0.1009(3) 0.0208(6) Uani 1 1 d . . .
N2 N 0.7014(5) 0.2410(4) -0.0319(3) 0.0233(6) Uani 1 1 d . . .
H2 H 0.6856 0.2715 0.0306 0.028 Uiso 1 1 calc R . .
H1 H 0.633(8) 0.476(6) -0.159(5) 0.033(13) Uiso 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 '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
N1 Pt1 N1 180.0 2_665 . ?
N1 Pt1 Cl1 96.89(9) 2_665 2_665 ?
N1 Pt1 Cl1 83.11(9) . 2_665 ?
N1 Pt1 Cl1 83.11(9) 2_665 . ?
N1 Pt1 Cl1 96.88(9) . . ?
Cl1 Pt1 Cl1 180.0 2_665 . ?
C11 Fe1 C16 119.31(17) . . ?
C11 Fe1 C17 154.93(18) . . ?
C16 Fe1 C17 40.65(18) . . ?
C11 Fe1 C10 41.04(16) . . ?
C16 Fe1 C10 153.66(17) . . ?
C17 Fe1 C10 163.42(17) . . ?
C11 Fe1 C18 161.69(18) . . ?
C16 Fe1 C18 68.26(18) . . ?
C17 Fe1 C18 40.92(19) . . ?
C10 Fe1 C18 125.10(17) . . ?
C11 Fe1 C15 106.02(17) . . ?
C16 Fe1 C15 40.52(18) . . ?
C17 Fe1 C15 68.43(17) . . ?
C10 Fe1 C15 118.49(16) . . ?
C18 Fe1 C15 68.08(17) . . ?
C11 Fe1 C14 68.65(16) . . ?
C16 Fe1 C14 164.12(18) . . ?
C17 Fe1 C14 126.92(17) . . ?
C10 Fe1 C14 40.98(15) . . ?
C18 Fe1 C14 108.70(17) . . ?
C15 Fe1 C14 154.33(17) . . ?
C11 Fe1 C19 124.00(17) . . ?
C16 Fe1 C19 68.17(18) . . ?
C17 Fe1 C19 68.54(17) . . ?
C10 Fe1 C19 106.21(16) . . ?
C18 Fe1 C19 40.45(18) . . ?
C15 Fe1 C19 40.45(18) . . ?
C14 Fe1 C19 120.38(17) . . ?
C11 Fe1 C13 68.21(16) . . ?
C16 Fe1 C13 126.86(18) . . ?
C17 Fe1 C13 109.51(17) . . ?
C10 Fe1 C13 68.54(15) . . ?
C18 Fe1 C13 122.35(18) . . ?
C15 Fe1 C13 162.81(19) . . ?
C14 Fe1 C13 40.48(17) . . ?
C19 Fe1 C13 156.16(19) . . ?
C11 Fe1 C12 40.60(16) . . ?
C16 Fe1 C12 107.98(17) . . ?
C17 Fe1 C12 121.25(17) . . ?
C10 Fe1 C12 68.71(15) . . ?
C18 Fe1 C12 156.84(18) . . ?
C15 Fe1 C12 124.88(18) . . ?
C14 Fe1 C12 68.30(17) . . ?
C19 Fe1 C12 161.38(19) . . ?
C13 Fe1 C12 40.41(19) . . ?
N1 C1 N2 122.3(3) . . ?
N1 C1 C2 117.3(3) . . ?
N2 C1 C2 120.4(3) . . ?
C3 C2 C7 119.3(3) . . ?
C3 C2 C1 119.1(3) . . ?
C7 C2 C1 121.4(3) . . ?
C4 C3 C2 120.7(3) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C3 C4 C5 119.7(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 120.3(4) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 120.0(3) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 C2 119.9(3) . . ?
C6 C7 H7 120.1 . . ?
C2 C7 H7 120.1 . . ?
N2 C8 C9 111.3(3) . . ?
N2 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N2 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 112.7(3) . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C14 107.2(3) . . ?
C11 C10 C9 125.8(3) . . ?
C14 C10 C9 127.0(3) . . ?
C11 C10 Fe1 69.3(2) . . ?
C14 C10 Fe1 69.7(2) . . ?
C9 C10 Fe1 127.3(3) . . ?
C12 C11 C10 108.4(4) . . ?
C12 C11 Fe1 70.2(2) . . ?
C10 C11 Fe1 69.7(2) . . ?
C12 C11 H11 125.8 . . ?
C10 C11 H11 125.8 . . ?
Fe1 C11 H11 125.9 . . ?
C13 C12 C11 107.9(4) . . ?
C13 C12 Fe1 69.8(2) . . ?
C11 C12 Fe1 69.2(2) . . ?
C13 C12 H12 126.0 . . ?
C11 C12 H12 126.0 . . ?
Fe1 C12 H12 126.6 . . ?
C12 C13 C14 108.6(3) . . ?
C12 C13 Fe1 69.8(2) . . ?
C14 C13 Fe1 69.7(2) . . ?
C12 C13 H13 125.7 . . ?
C14 C13 H13 125.7 . . ?
Fe1 C13 H13 126.3 . . ?
C13 C14 C10 107.9(4) . . ?
C13 C14 Fe1 69.8(2) . . ?
C10 C14 Fe1 69.3(2) . . ?
C13 C14 H14 126.0 . . ?
C10 C14 H14 126.0 . . ?
Fe1 C14 H14 126.4 . . ?
C16 C15 C19 108.0(4) . . ?
C16 C15 Fe1 69.4(2) . . ?
C19 C15 Fe1 69.8(2) . . ?
C16 C15 H15 126.0 . . ?
C19 C15 H15 126.0 . . ?
Fe1 C15 H15 126.4 . . ?
C15 C16 C17 108.5(4) . . ?
C15 C16 Fe1 70.1(2) . . ?
C17 C16 Fe1 69.8(2) . . ?
C15 C16 H16 125.7 . . ?
C17 C16 H16 125.7 . . ?
Fe1 C16 H16 126.0 . . ?
C16 C17 C18 107.3(4) . . ?
C16 C17 Fe1 69.6(2) . . ?
C18 C17 Fe1 69.7(2) . . ?
C16 C17 H17 126.4 . . ?
C18 C17 H17 126.4 . . ?
Fe1 C17 H17 125.9 . . ?
C19 C18 C17 108.2(4) . . ?
C19 C18 Fe1 69.9(2) . . ?
C17 C18 Fe1 69.4(2) . . ?
C19 C18 H18 125.9 . . ?
C17 C18 H18 125.9 . . ?
Fe1 C18 H18 126.4 . . ?
C18 C19 C15 108.0(4) . . ?
C18 C19 Fe1 69.6(2) . . ?
C15 C19 Fe1 69.7(2) . . ?
C18 C19 H19 126.0 . . ?
C15 C19 H19 126.0 . . ?
Fe1 C19 H19 126.2 . . ?
C1 N1 Pt1 137.3(3) . . ?
C1 N1 H1 109(3) . . ?
Pt1 N1 H1 113(3) . . ?
C1 N2 C8 127.6(3) . . ?
C1 N2 H2 116.2 . . ?
C8 N2 H2 116.2 . . ?
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
Pt1 N1 2.022(3) 2_665 ?
Pt1 N1 2.022(3) . ?
Pt1 Cl1 2.3019(9) 2_665 ?
Pt1 Cl1 2.3019(9) . ?
Fe1 C11 2.038(4) . ?
Fe1 C16 2.040(4) . ?
Fe1 C17 2.043(4) . ?
Fe1 C10 2.044(4) . ?
Fe1 C18 2.047(4) . ?
Fe1 C15 2.049(4) . ?
Fe1 C14 2.049(4) . ?
Fe1 C19 2.051(4) . ?
Fe1 C13 2.051(4) . ?
Fe1 C12 2.052(4) . ?
C1 N1 1.310(5) . ?
C1 N2 1.332(5) . ?
C1 C2 1.493(5) . ?
C2 C3 1.392(5) . ?
C2 C7 1.401(5) . ?
C3 C4 1.381(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.391(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 N2 1.461(5) . ?
C8 C9 1.535(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.497(5) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.431(6) . ?
C10 C14 1.433(5) . ?
C11 C12 1.419(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.417(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.419(6) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.416(6) . ?
C15 C19 1.417(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.418(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.430(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.417(6) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
N1 H1 0.96(6) . ?
N2 H2 0.8800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 Cl1 0.88 2.44 3.125(3) 135.0 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -52.4(5) . . . . ?
N2 C1 C2 C3 129.9(4) . . . . ?
N1 C1 C2 C7 123.5(4) . . . . ?
N2 C1 C2 C7 -54.2(5) . . . . ?
C7 C2 C3 C4 -1.1(6) . . . . ?
C1 C2 C3 C4 174.9(3) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C3 C4 C5 C6 0.9(6) . . . . ?
C4 C5 C6 C7 -0.4(6) . . . . ?
C5 C6 C7 C2 -0.9(6) . . . . ?
C3 C2 C7 C6 1.6(6) . . . . ?
C1 C2 C7 C6 -174.2(3) . . . . ?
N2 C8 C9 C10 58.3(4) . . . . ?
C8 C9 C10 C11 -79.7(5) . . . . ?
C8 C9 C10 C14 98.6(4) . . . . ?
C8 C9 C10 Fe1 -169.7(3) . . . . ?
C16 Fe1 C10 C11 -50.2(5) . . . . ?
C17 Fe1 C10 C11 167.4(5) . . . . ?
C18 Fe1 C10 C11 -163.7(2) . . . . ?
C15 Fe1 C10 C11 -81.6(3) . . . . ?
C14 Fe1 C10 C11 118.5(3) . . . . ?
C19 Fe1 C10 C11 -123.6(3) . . . . ?
C13 Fe1 C10 C11 81.0(3) . . . . ?
C12 Fe1 C10 C11 37.5(2) . . . . ?
C11 Fe1 C10 C14 -118.5(3) . . . . ?
C16 Fe1 C10 C14 -168.7(4) . . . . ?
C17 Fe1 C10 C14 49.0(6) . . . . ?
C18 Fe1 C10 C14 77.8(3) . . . . ?
C15 Fe1 C10 C14 159.9(2) . . . . ?
C19 Fe1 C10 C14 117.9(3) . . . . ?
C13 Fe1 C10 C14 -37.5(2) . . . . ?
C12 Fe1 C10 C14 -81.0(3) . . . . ?
C11 Fe1 C10 C9 119.8(4) . . . . ?
C16 Fe1 C10 C9 69.6(5) . . . . ?
C17 Fe1 C10 C9 -72.7(7) . . . . ?
C18 Fe1 C10 C9 -43.9(4) . . . . ?
C15 Fe1 C10 C9 38.2(4) . . . . ?
C14 Fe1 C10 C9 -121.7(4) . . . . ?
C19 Fe1 C10 C9 -3.8(4) . . . . ?
C13 Fe1 C10 C9 -159.2(4) . . . . ?
C12 Fe1 C10 C9 157.3(4) . . . . ?
C14 C10 C11 C12 -0.1(4) . . . . ?
C9 C10 C11 C12 178.5(3) . . . . ?
Fe1 C10 C11 C12 -59.8(3) . . . . ?
C14 C10 C11 Fe1 59.7(2) . . . . ?
C9 C10 C11 Fe1 -121.7(4) . . . . ?
C16 Fe1 C11 C12 -83.6(3) . . . . ?
C17 Fe1 C11 C12 -52.2(5) . . . . ?
C10 Fe1 C11 C12 119.4(3) . . . . ?
C18 Fe1 C11 C12 166.2(5) . . . . ?
C15 Fe1 C11 C12 -125.4(3) . . . . ?
C14 Fe1 C11 C12 81.1(3) . . . . ?
C19 Fe1 C11 C12 -165.8(3) . . . . ?
C13 Fe1 C11 C12 37.5(3) . . . . ?
C16 Fe1 C11 C10 157.0(2) . . . . ?
C17 Fe1 C11 C10 -171.6(4) . . . . ?
C18 Fe1 C11 C10 46.9(6) . . . . ?
C15 Fe1 C11 C10 115.2(2) . . . . ?
C14 Fe1 C11 C10 -38.2(2) . . . . ?
C19 Fe1 C11 C10 74.8(3) . . . . ?
C13 Fe1 C11 C10 -81.9(2) . . . . ?
C12 Fe1 C11 C10 -119.4(3) . . . . ?
C10 C11 C12 C13 0.2(4) . . . . ?
Fe1 C11 C12 C13 -59.2(3) . . . . ?
C10 C11 C12 Fe1 59.4(3) . . . . ?
C11 Fe1 C12 C13 119.4(3) . . . . ?
C16 Fe1 C12 C13 -126.3(3) . . . . ?
C17 Fe1 C12 C13 -83.7(3) . . . . ?
C10 Fe1 C12 C13 81.5(3) . . . . ?
C18 Fe1 C12 C13 -49.7(5) . . . . ?
C15 Fe1 C12 C13 -167.9(2) . . . . ?
C14 Fe1 C12 C13 37.3(2) . . . . ?
C19 Fe1 C12 C13 158.9(5) . . . . ?
C16 Fe1 C12 C11 114.3(3) . . . . ?
C17 Fe1 C12 C11 156.9(2) . . . . ?
C10 Fe1 C12 C11 -37.9(2) . . . . ?
C18 Fe1 C12 C11 -169.0(4) . . . . ?
C15 Fe1 C12 C11 72.8(3) . . . . ?
C14 Fe1 C12 C11 -82.1(3) . . . . ?
C19 Fe1 C12 C11 39.5(6) . . . . ?
C13 Fe1 C12 C11 -119.4(3) . . . . ?
C11 C12 C13 C14 -0.2(4) . . . . ?
Fe1 C12 C13 C14 -59.1(3) . . . . ?
C11 C12 C13 Fe1 58.9(3) . . . . ?
C11 Fe1 C13 C12 -37.6(2) . . . . ?
C16 Fe1 C13 C12 73.4(3) . . . . ?
C17 Fe1 C13 C12 115.6(3) . . . . ?
C10 Fe1 C13 C12 -81.9(2) . . . . ?
C18 Fe1 C13 C12 159.2(2) . . . . ?
C15 Fe1 C13 C12 35.7(7) . . . . ?
C14 Fe1 C13 C12 -119.8(3) . . . . ?
C19 Fe1 C13 C12 -163.5(4) . . . . ?
C11 Fe1 C13 C14 82.2(2) . . . . ?
C16 Fe1 C13 C14 -166.8(2) . . . . ?
C17 Fe1 C13 C14 -124.5(3) . . . . ?
C10 Fe1 C13 C14 37.9(2) . . . . ?
C18 Fe1 C13 C14 -80.9(3) . . . . ?
C15 Fe1 C13 C14 155.5(5) . . . . ?
C19 Fe1 C13 C14 -43.6(5) . . . . ?
C12 Fe1 C13 C14 119.8(3) . . . . ?
C12 C13 C14 C10 0.2(4) . . . . ?
Fe1 C13 C14 C10 -59.0(2) . . . . ?
C12 C13 C14 Fe1 59.2(3) . . . . ?
C11 C10 C14 C13 0.0(4) . . . . ?
C9 C10 C14 C13 -178.6(3) . . . . ?
Fe1 C10 C14 C13 59.3(3) . . . . ?
C11 C10 C14 Fe1 -59.4(2) . . . . ?
C9 C10 C14 Fe1 122.0(4) . . . . ?
C11 Fe1 C14 C13 -81.0(3) . . . . ?
C16 Fe1 C14 C13 42.1(7) . . . . ?
C17 Fe1 C14 C13 76.3(3) . . . . ?
C10 Fe1 C14 C13 -119.3(3) . . . . ?
C18 Fe1 C14 C13 118.3(3) . . . . ?
C15 Fe1 C14 C13 -163.6(4) . . . . ?
C19 Fe1 C14 C13 161.1(3) . . . . ?
C12 Fe1 C14 C13 -37.2(2) . . . . ?
C11 Fe1 C14 C10 38.3(2) . . . . ?
C16 Fe1 C14 C10 161.4(6) . . . . ?
C17 Fe1 C14 C10 -164.4(2) . . . . ?
C18 Fe1 C14 C10 -122.4(2) . . . . ?
C15 Fe1 C14 C10 -44.3(5) . . . . ?
C19 Fe1 C14 C10 -79.5(3) . . . . ?
C13 Fe1 C14 C10 119.3(3) . . . . ?
C12 Fe1 C14 C10 82.1(2) . . . . ?
C11 Fe1 C15 C16 116.6(3) . . . . ?
C17 Fe1 C15 C16 -37.5(3) . . . . ?
C10 Fe1 C15 C16 159.1(2) . . . . ?
C18 Fe1 C15 C16 -81.7(3) . . . . ?
C14 Fe1 C15 C16 -169.5(4) . . . . ?
C19 Fe1 C15 C16 -119.3(4) . . . . ?
C13 Fe1 C15 C16 48.9(7) . . . . ?
C12 Fe1 C15 C16 76.3(3) . . . . ?
C11 Fe1 C15 C19 -124.1(3) . . . . ?
C16 Fe1 C15 C19 119.3(4) . . . . ?
C17 Fe1 C15 C19 81.8(3) . . . . ?
C10 Fe1 C15 C19 -81.5(3) . . . . ?
C18 Fe1 C15 C19 37.6(3) . . . . ?
C14 Fe1 C15 C19 -50.2(5) . . . . ?
C13 Fe1 C15 C19 168.2(5) . . . . ?
C12 Fe1 C15 C19 -164.3(2) . . . . ?
C19 C15 C16 C17 0.0(4) . . . . ?
Fe1 C15 C16 C17 59.4(3) . . . . ?
C19 C15 C16 Fe1 -59.4(3) . . . . ?
C11 Fe1 C16 C15 -80.2(3) . . . . ?
C17 Fe1 C16 C15 119.6(4) . . . . ?
C10 Fe1 C16 C15 -44.9(5) . . . . ?
C18 Fe1 C16 C15 81.3(3) . . . . ?
C14 Fe1 C16 C15 163.2(6) . . . . ?
C19 Fe1 C16 C15 37.5(3) . . . . ?
C13 Fe1 C16 C15 -163.8(3) . . . . ?
C12 Fe1 C16 C15 -123.1(3) . . . . ?
C11 Fe1 C16 C17 160.2(3) . . . . ?
C10 Fe1 C16 C17 -164.5(3) . . . . ?
C18 Fe1 C16 C17 -38.3(3) . . . . ?
C15 Fe1 C16 C17 -119.6(4) . . . . ?
C14 Fe1 C16 C17 43.6(7) . . . . ?
C19 Fe1 C16 C17 -82.1(3) . . . . ?
C13 Fe1 C16 C17 76.6(3) . . . . ?
C12 Fe1 C16 C17 117.3(3) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
Fe1 C16 C17 C18 59.8(3) . . . . ?
C15 C16 C17 Fe1 -59.6(3) . . . . ?
C11 Fe1 C17 C16 -44.2(5) . . . . ?
C10 Fe1 C17 C16 155.4(5) . . . . ?
C18 Fe1 C17 C16 118.4(4) . . . . ?
C15 Fe1 C17 C16 37.4(3) . . . . ?
C14 Fe1 C17 C16 -166.3(3) . . . . ?
C19 Fe1 C17 C16 81.0(3) . . . . ?
C13 Fe1 C17 C16 -124.3(3) . . . . ?
C12 Fe1 C17 C16 -81.2(3) . . . . ?
C11 Fe1 C17 C18 -162.6(4) . . . . ?
C16 Fe1 C17 C18 -118.4(4) . . . . ?
C10 Fe1 C17 C18 37.0(7) . . . . ?
C15 Fe1 C17 C18 -81.0(3) . . . . ?
C14 Fe1 C17 C18 75.3(3) . . . . ?
C19 Fe1 C17 C18 -37.4(3) . . . . ?
C13 Fe1 C17 C18 117.2(3) . . . . ?
C12 Fe1 C17 C18 160.4(3) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
Fe1 C17 C18 C19 59.3(3) . . . . ?
C16 C17 C18 Fe1 -59.7(3) . . . . ?
C11 Fe1 C18 C19 36.8(6) . . . . ?
C16 Fe1 C18 C19 -81.4(3) . . . . ?
C17 Fe1 C18 C19 -119.5(4) . . . . ?
C10 Fe1 C18 C19 72.6(3) . . . . ?
C15 Fe1 C18 C19 -37.6(3) . . . . ?
C14 Fe1 C18 C19 115.2(3) . . . . ?
C13 Fe1 C18 C19 157.8(2) . . . . ?
C12 Fe1 C18 C19 -166.4(4) . . . . ?
C11 Fe1 C18 C17 156.3(5) . . . . ?
C16 Fe1 C18 C17 38.1(3) . . . . ?
C10 Fe1 C18 C17 -167.9(2) . . . . ?
C15 Fe1 C18 C17 81.9(3) . . . . ?
C14 Fe1 C18 C17 -125.3(3) . . . . ?
C19 Fe1 C18 C17 119.5(4) . . . . ?
C13 Fe1 C18 C17 -82.7(3) . . . . ?
C12 Fe1 C18 C17 -46.9(5) . . . . ?
C17 C18 C19 C15 0.4(4) . . . . ?
Fe1 C18 C19 C15 59.4(3) . . . . ?
C17 C18 C19 Fe1 -59.0(3) . . . . ?
C16 C15 C19 C18 -0.2(4) . . . . ?
Fe1 C15 C19 C18 -59.3(3) . . . . ?
C16 C15 C19 Fe1 59.1(3) . . . . ?
C11 Fe1 C19 C18 -166.9(2) . . . . ?
C16 Fe1 C19 C18 81.7(3) . . . . ?
C17 Fe1 C19 C18 37.8(3) . . . . ?
C10 Fe1 C19 C18 -125.6(3) . . . . ?
C15 Fe1 C19 C18 119.3(3) . . . . ?
C14 Fe1 C19 C18 -83.4(3) . . . . ?
C13 Fe1 C19 C18 -52.1(5) . . . . ?
C12 Fe1 C19 C18 163.2(5) . . . . ?
C11 Fe1 C19 C15 73.9(3) . . . . ?
C16 Fe1 C19 C15 -37.6(3) . . . . ?
C17 Fe1 C19 C15 -81.5(3) . . . . ?
C10 Fe1 C19 C15 115.1(3) . . . . ?
C18 Fe1 C19 C15 -119.3(3) . . . . ?
C14 Fe1 C19 C15 157.3(2) . . . . ?
C13 Fe1 C19 C15 -171.4(4) . . . . ?
C12 Fe1 C19 C15 43.9(6) . . . . ?
N2 C1 N1 Pt1 0.7(6) . . . . ?
C2 C1 N1 Pt1 -176.9(3) . . . . ?
Cl1 Pt1 N1 C1 158.9(4) 2_665 . . . ?
Cl1 Pt1 N1 C1 -21.1(4) . . . . ?
N1 C1 N2 C8 164.3(3) . . . . ?
C2 C1 N2 C8 -18.1(6) . . . . ?
C9 C8 N2 C1 131.5(4) . . . . ?
