#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006940.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_2006940
loop_
_publ_author_name
'Wiesler, B.'
'Tuczek, F.'
'N\"ather, C.'
'Bensch, W.'
_publ_section_title
;
 [FeHCl(C~10~H~24~P~2~)~2~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              44
_journal_page_last               46
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Fe H Cl(C10 H24 P2)2]'
_chemical_formula_sum            'C20 H49 Cl Fe P4'
_chemical_formula_weight         504.77
_chemical_name_systematic
;
trans-chloro-bis[ethylene-bis(diethylphosphine)]hydrido-iron(II)
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.747(2)
_cell_length_b                   27.457(4)
_cell_length_c                   17.837(3)
_cell_measurement_reflns_used    106
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      20
_cell_measurement_theta_min      17.5
_cell_volume                     5263.3(15)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1992a)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1992b)'
_computing_molecular_graphics    'SHELXTL/PC (Siemens, 1990)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      180(2)
_diffrn_measurement_device       'STOE AED-II'
_diffrn_measurement_method       'omega-theta scan'
_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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5148
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        negligible
_diffrn_standards_interval_time  'every 120'
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.562
_exptl_absorpt_correction_type   'face indexed'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_meas      'Not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.728
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.073
_refine_ls_goodness_of_fit_obs   1.075
_refine_ls_hydrogen_treatment    'see text below'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_restrained_S_obs      1.075
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_obs          0.0474
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.0808P)^2^+11.4418P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all         0.1568
_refine_ls_wR_factor_obs         0.1260
_reflns_number_observed          3296
_reflns_number_total             4616
_reflns_observed_criterion       >2sigma(I)
_[local]_cod_data_source_file    ln1021.cif
_[local]_cod_data_source_block   felix4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (6
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (22
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (36
times).

'_geom_torsion_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (86 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2006940
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.0139(3) 0.0154(3) 0.0231(3) 0.0000(2) 0.0004(2) -0.0001(2)
Cl 0.0183(5) 0.0236(5) 0.0430(6) 0.0050(4) -0.0007(5) -0.0016(5)
C1 0.028(2) 0.024(2) 0.029(2) -0.001(2) -0.001(2) -0.002(2)
C2 0.059(4) 0.031(3) 0.044(3) -0.002(3) -0.007(3) -0.009(2)
C3 0.022(2) 0.038(3) 0.043(3) 0.004(2) -0.011(2) -0.001(2)
C4 0.031(3) 0.050(3) 0.059(4) 0.013(2) -0.013(3) -0.002(3)
P1 0.0192(5) 0.0206(5) 0.0235(5) 0.0013(4) -0.0015(4) -0.0011(4)
C5 0.036(3) 0.031(3) 0.028(2) -0.001(2) 0.003(2) 0.000(2)
C6 0.043(3) 0.031(3) 0.032(3) -0.003(2) -0.001(2) 0.008(2)
P2 0.0213(5) 0.0206(6) 0.0313(6) -0.0007(5) 0.0038(5) 0.0032(5)
C7 0.034(3) 0.021(2) 0.045(3) -0.001(2) 0.007(2) 0.003(2)
C8 0.046(3) 0.028(3) 0.062(3) 0.013(2) 0.006(3) 0.007(3)
C9 0.027(2) 0.046(3) 0.051(3) -0.002(2) 0.010(2) 0.011(3)
C10 0.037(3) 0.058(4) 0.066(4) 0.002(3) 0.018(3) 0.009(3)
C11 0.023(2) 0.026(2) 0.034(2) -0.006(2) 0.002(2) -0.001(2)
C12 0.026(3) 0.036(3) 0.058(3) -0.001(2) 0.008(2) 0.000(3)
C13 0.036(3) 0.024(2) 0.033(3) 0.002(2) 0.000(2) 0.006(2)
C14 0.045(3) 0.030(3) 0.046(3) -0.005(2) -0.005(3) 0.014(2)
P3 0.0183(5) 0.0198(5) 0.0241(5) -0.0026(4) 0.0010(4) -0.0008(4)
C15 0.031(2) 0.035(3) 0.024(2) -0.008(2) 0.003(2) -0.003(2)
C16 0.032(2) 0.028(2) 0.027(2) -0.007(2) -0.004(2) -0.001(2)
P4 0.0192(5) 0.0197(6) 0.0279(6) -0.0016(4) -0.0027(4) -0.0025(4)
C17 0.034(3) 0.031(3) 0.040(3) 0.003(2) 0.001(2) -0.008(2)
C18 0.053(3) 0.052(4) 0.052(3) 0.007(3) 0.002(3) -0.027(3)
C19 0.026(2) 0.026(2) 0.037(3) -0.005(2) -0.001(2) 0.001(2)
C20 0.023(2) 0.040(3) 0.058(3) -0.003(2) -0.010(2) -0.001(3)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Fe 0.22055(5) 0.36433(2) 0.51150(3) 0.0175(2) Uani d . 1 Fe
Cl 0.39754(10) 0.31077(4) 0.51193(7) 0.0283(3) Uani d . 1 Cl
C1 0.1565(4) 0.2612(2) 0.4032(3) 0.0268(10) Uani d . 1 C
H1A 0.2407(4) 0.2519(2) 0.4207(3) 0.032 Uiso calc R 1 H
H1B 0.0960(4) 0.2461(2) 0.4380(3) 0.032 Uiso calc R 1 H
C2 0.1370(6) 0.2387(2) 0.3259(3) 0.0448(14) Uani d . 1 C
H2A 0.0506(11) 0.2435(12) 0.3102(10) 0.067 Uiso calc R 1 H
H2B 0.155(4) 0.2037(3) 0.3282(6) 0.067 Uiso calc R 1 H
H2C 0.193(3) 0.2542(10) 0.2897(5) 0.067 Uiso calc R 1 H
C3 -0.0229(4) 0.3352(2) 0.3855(3) 0.0341(11) Uani d . 1 C
H3A -0.0380(4) 0.3163(2) 0.3392(3) 0.041 Uiso calc R 1 H
H3B -0.0748(4) 0.3207(2) 0.4255(3) 0.041 Uiso calc R 1 H
C4 -0.0679(5) 0.3871(2) 0.3722(3) 0.0465(14) Uani d . 1 C
H4A -0.1583(7) 0.3870(3) 0.365(2) 0.070 Uiso calc R 1 H
H4B -0.028(3) 0.4003(6) 0.3272(13) 0.070 Uiso calc R 1 H
H4C -0.047(3) 0.4074(4) 0.4155(10) 0.070 Uiso calc R 1 H
P1 0.14217(10) 0.32750(4) 0.41202(6) 0.0211(3) Uani d . 1 P
C5 0.2262(5) 0.3494(2) 0.3275(3) 0.0318(11) Uani d . 1 C
H5A 0.3051(5) 0.3312(2) 0.3215(3) 0.038 Uiso calc R 1 H
H5B 0.1747(5) 0.3440(2) 0.2823(3) 0.038 Uiso calc R 1 H
C6 0.2535(5) 0.4035(2) 0.3365(3) 0.0354(11) Uani d . 1 C
H6A 0.1772(5) 0.4227(2) 0.3266(3) 0.043 Uiso calc R 1 H
H6B 0.3179(5) 0.4137(2) 0.3000(3) 0.043 Uiso calc R 1 H
P2 0.30856(10) 0.41518(4) 0.43256(7) 0.0244(3) Uani d . 1 P
C7 0.2868(4) 0.4818(2) 0.4378(3) 0.0332(11) Uani d . 1 C
H7A 0.3256(4) 0.4936(2) 0.4847(3) 0.040 Uiso calc R 1 H
H7B 0.3321(4) 0.4969(2) 0.3954(3) 0.040 Uiso calc R 1 H
C8 0.1516(5) 0.4994(2) 0.4358(4) 0.0450(13) Uani d . 1 C
H8A 0.1170(13) 0.4940(14) 0.3856(7) 0.067 Uiso calc R 1 H
H8B 0.1487(6) 0.5342(4) 0.448(2) 0.067 Uiso calc R 1 H
H8C 0.1026(10) 0.4812(11) 0.4727(16) 0.067 Uiso calc R 1 H
C9 0.4811(5) 0.4132(2) 0.4248(3) 0.0413(13) Uani d . 1 C
H9A 0.5152(5) 0.4343(2) 0.4648(3) 0.050 Uiso calc R 1 H
H9B 0.5076(5) 0.3795(2) 0.4363(3) 0.050 Uiso calc R 1 H
C10 0.5429(5) 0.4277(2) 0.3527(4) 0.054(2) Uani d . 1 C
H10A 0.533(4) 0.4016(7) 0.3158(8) 0.080 Uiso calc R 1 H
H10B 0.6317(10) 0.4335(16) 0.3617(6) 0.080 Uiso calc R 1 H
H10C 0.504(3) 0.4576(9) 0.3336(13) 0.080 Uiso calc R 1 H
C11 -0.0484(4) 0.3067(2) 0.5881(3) 0.0275(10) Uani d . 1 C
H11A -0.0674(4) 0.2858(2) 0.5443(3) 0.033 Uiso calc R 1 H
H11B -0.0743(4) 0.2887(2) 0.6337(3) 0.033 Uiso calc R 1 H
C12 -0.1260(5) 0.3533(2) 0.5824(3) 0.0399(12) Uani d . 1 C
H12A -0.121(3) 0.3713(7) 0.6298(8) 0.060 Uiso calc R 1 H
H12B -0.2129(8) 0.3449(2) 0.572(2) 0.060 Uiso calc R 1 H
H12C -0.094(2) 0.3737(7) 0.5417(14) 0.060 Uiso calc R 1 H
C13 0.1801(5) 0.2539(2) 0.6052(3) 0.0309(10) Uani d . 1 C
H13A 0.1844(5) 0.2384(2) 0.5552(3) 0.037 Uiso calc R 1 H
H13B 0.2665(5) 0.2564(2) 0.6242(3) 0.037 Uiso calc R 1 H
C14 0.1081(5) 0.2195(2) 0.6575(3) 0.0402(12) Uani d . 1 C
H14A 0.1564(16) 0.1897(6) 0.6652(17) 0.060 Uiso calc R 1 H
H14B 0.0278(15) 0.2114(11) 0.6348(10) 0.060 Uiso calc R 1 H
H14C 0.094(3) 0.2356(5) 0.7058(8) 0.060 Uiso calc R 1 H
P3 0.12089(10) 0.31649(4) 0.59215(6) 0.0208(3) Uani d . 1 P
C15 0.1385(4) 0.3408(2) 0.6884(2) 0.0298(10) Uani d . 1 C
H15A 0.0716(4) 0.3646(2) 0.6991(2) 0.036 Uiso calc R 1 H
H15B 0.1327(4) 0.3140(2) 0.7254(2) 0.036 Uiso calc R 1 H
C16 0.2645(4) 0.3653(2) 0.6938(3) 0.0293(10) Uani d . 1 C
H16A 0.3316(4) 0.3406(2) 0.6937(3) 0.035 Uiso calc R 1 H
H16B 0.2704(4) 0.3845(2) 0.7407(3) 0.035 Uiso calc R 1 H
P4 0.27868(10) 0.40537(4) 0.61184(6) 0.0222(3) Uani d . 1 P
C17 0.1762(5) 0.4573(2) 0.6363(3) 0.0351(11) Uani d . 1 C
H17A 0.1964(5) 0.4845(2) 0.6020(3) 0.042 Uiso calc R 1 H
H17B 0.0893(5) 0.4474(2) 0.6256(3) 0.042 Uiso calc R 1 H
C18 0.1807(6) 0.4771(2) 0.7171(3) 0.052(2) Uani d . 1 C
H18A 0.127(3) 0.5057(9) 0.7211(7) 0.078 Uiso calc R 1 H
H18B 0.2663(9) 0.4862(14) 0.7296(9) 0.078 Uiso calc R 1 H
H18C 0.152(4) 0.4519(6) 0.7519(4) 0.078 Uiso calc R 1 H
C19 0.4326(4) 0.4333(2) 0.6275(3) 0.0297(10) Uani d . 1 C
H19A 0.4481(4) 0.4572(2) 0.5870(3) 0.036 Uiso calc R 1 H
H19B 0.4300(4) 0.4515(2) 0.6754(3) 0.036 Uiso calc R 1 H
C20 0.5418(4) 0.3980(2) 0.6303(3) 0.0402(13) Uani d . 1 C
H20A 0.6194(6) 0.4163(2) 0.637(2) 0.060 Uiso calc R 1 H
H20B 0.545(2) 0.3795(10) 0.5834(9) 0.060 Uiso calc R 1 H
H20C 0.5310(18) 0.3756(9) 0.6725(13) 0.060 Uiso calc R 1 H
H1FE 0.111(5) 0.395(2) 0.509(3) 0.048 Uiso d . 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'
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'
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
P2 Fe P4 94.22(5) y
P2 Fe P1 86.57(5) y
P4 Fe P1 173.59(5) y
P2 Fe P3 176.10(5) y
P4 Fe P3 85.03(5) y
P1 Fe P3 93.76(5) y
P2 Fe Cl 92.87(5) y
P4 Fe Cl 94.92(4) y
P1 Fe Cl 91.39(4) y
P3 Fe Cl 91.01(4) y
C2 C1 P1 118.0(3) n
C4 C3 P1 116.9(3) n
C1 P1 C3 100.0(2) n
C1 P1 C5 102.2(2) n
C3 P1 C5 102.8(2) n
C1 P1 Fe 119.42(15) n
C3 P1 Fe 121.3(2) n
C5 P1 Fe 108.5(2) n
C6 C5 P1 108.9(3) n
C5 C6 P2 109.2(3) n
C6 P2 C7 100.3(2) n
C6 P2 C9 104.2(3) n
C7 P2 C9 99.1(2) n
C6 P2 Fe 110.4(2) n
C7 P2 Fe 122.9(2) n
C9 P2 Fe 117.3(2) n
C8 C7 P2 115.6(3) n
C10 C9 P2 119.8(4) n
C12 C11 P3 114.7(3) n
C14 C13 P3 118.3(3) n
C11 P3 C13 102.1(2) n
C11 P3 C15 100.9(2) n
C13 P3 C15 100.6(2) n
C11 P3 Fe 122.5(2) n
C13 P3 Fe 117.7(2) n
C15 P3 Fe 109.71(15) n
C16 C15 P3 108.1(3) n
C15 C16 P4 106.8(3) n
C16 P4 C19 101.7(2) n
C16 P4 C17 103.0(2) n
C19 P4 C17 100.2(2) n
C16 P4 Fe 108.45(15) n
C19 P4 Fe 126.1(2) n
C17 P4 Fe 114.5(2) n
C18 C17 P4 118.2(4) n
C20 C19 P4 115.5(3) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Fe P2 2.1970(13) y
Fe P4 2.2053(13) y
Fe P1 2.2093(12) y
Fe P3 2.2231(12) y
Fe Cl 2.4044(12) y
C1 C2 1.526(7) n
C1 P1 1.833(4) n
C3 C4 1.522(7) n
C3 P1 1.848(4) n
P1 C5 1.858(5) n
C5 C6 1.523(7) n
C6 P2 1.841(5) n
P2 C7 1.845(5) n
P2 C9 1.860(5) n
C7 C8 1.532(7) n
C9 C10 1.501(7) n
C11 C12 1.532(6) n
C11 P3 1.841(4) n
C13 C14 1.537(6) n
C13 P3 1.846(5) n
P3 C15 1.852(5) n
C15 C16 1.515(6) n
C16 P4 1.836(5) n
P4 C19 1.845(4) n
P4 C17 1.853(5) n
C17 C18 1.541(7) n
C19 C20 1.523(6) n
Fe H1 1.45(5) y
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_publ_flag
C2 C1 P1 C3 62.8(4) n
C2 C1 P1 C5 -42.8(4) n
C2 C1 P1 Fe -162.5(3) n
C4 C3 P1 C1 -169.5(4) n
C4 C3 P1 C5 -64.4(5) n
C4 C3 P1 Fe 56.9(5) n
P2 Fe P1 C1 130.9(2) n
P4 Fe P1 C1 -131.8(4) n
P3 Fe P1 C1 -53.0(2) n
Cl Fe P1 C1 38.1(2) n
P2 Fe P1 C3 -104.0(2) n
P4 Fe P1 C3 -6.7(5) n
P3 Fe P1 C3 72.1(2) n
Cl Fe P1 C3 163.2(2) n
P2 Fe P1 C5 14.5(2) n
P4 Fe P1 C5 111.8(5) n
P3 Fe P1 C5 -169.4(2) n
Cl Fe P1 C5 -78.3(2) n
C1 P1 C5 C6 -165.0(3) n
C3 P1 C5 C6 91.7(4) n
Fe P1 C5 C6 -37.9(4) n
P1 C5 C6 P2 43.3(4) n
C5 C6 P2 C7 -163.1(4) n
C5 C6 P2 C9 94.7(4) n
C5 C6 P2 Fe -32.1(4) n
P4 Fe P2 C6 -166.6(2) n
P1 Fe P2 C6 7.0(2) n
P3 Fe P2 C6 -88.0(8) n
Cl Fe P2 C6 98.2(2) n
P4 Fe P2 C7 -48.9(2) n
P1 Fe P2 C7 124.8(2) n
P3 Fe P2 C7 29.8(8) n
Cl Fe P2 C7 -144.0(2) n
P4 Fe P2 C9 74.2(2) n
P1 Fe P2 C9 -112.1(2) n
P3 Fe P2 C9 152.9(7) n
Cl Fe P2 C9 -20.9(2) n
C6 P2 C7 C8 66.9(5) n
C9 P2 C7 C8 173.3(4) n
Fe P2 C7 C8 -55.7(5) n
C6 P2 C9 C10 29.6(5) n
C7 P2 C9 C10 -73.5(5) n
Fe P2 C9 C10 151.9(4) n
C12 C11 P3 C13 176.2(4) n
C12 C11 P3 C15 72.8(4) n
C12 C11 P3 Fe -49.3(4) n
C14 C13 P3 C11 -39.6(4) n
C14 C13 P3 C15 64.2(4) n
C14 C13 P3 Fe -176.8(3) n
P2 Fe P3 C11 42.1(8) n
P4 Fe P3 C11 121.0(2) n
P1 Fe P3 C11 -52.7(2) n
Cl Fe P3 C11 -144.1(2) n
P2 Fe P3 C13 170.1(7) n
P4 Fe P3 C13 -111.0(2) n
P1 Fe P3 C13 75.3(2) n
Cl Fe P3 C13 -16.1(2) n
P2 Fe P3 C15 -75.8(8) n
P4 Fe P3 C15 3.1(2) n
P1 Fe P3 C15 -170.5(2) n
Cl Fe P3 C15 98.0(2) n
C11 P3 C15 C16 -162.9(3) n
C13 P3 C15 C16 92.4(4) n
Fe P3 C15 C16 -32.3(4) n
P3 C15 C16 P4 48.5(4) n
C15 C16 P4 C19 178.6(3) n
C15 C16 P4 C17 75.1(3) n
C15 C16 P4 Fe -46.6(3) n
P2 Fe P4 C16 -162.8(2) n
P1 Fe P4 C16 100.3(5) n
P3 Fe P4 C16 21.0(2) n
Cl Fe P4 C16 -69.5(2) n
P2 Fe P4 C19 -42.2(2) n
P1 Fe P4 C19 -139.1(5) n
P3 Fe P4 C19 141.6(2) n
Cl Fe P4 C19 51.1(2) n
P2 Fe P4 C17 82.9(2) n
P1 Fe P4 C17 -14.0(5) n
P3 Fe P4 C17 -93.3(2) n
Cl Fe P4 C17 176.1(2) n
C16 P4 C17 C18 42.2(5) n
C19 P4 C17 C18 -62.5(5) n
Fe P4 C17 C18 159.7(4) n
C16 P4 C19 C20 60.9(4) n
C17 P4 C19 C20 166.5(4) n
Fe P4 C19 C20 -62.6(4) n