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#$Date: 2016-03-25 13:52:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179868 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/64/7016496.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_7016496
loop_
_publ_author_name
'Femoni, C.'
'Iapalucci, M. C.'
'Longoni, G.'
'Zacchini, S.'
_publ_section_title
;
 The chemistry of hydridocarbonylferrates revisited: syntheses and
 structures of the new [H(2)Fe(4)(CO)(12)](2-) and [HFe(5)(CO)(14)](3-)
 anions, and the [Fe(DMF)(4)][Fe(4)(CO)(12)(μ(5)-η(2)-CO)(μ-H)](2)
 adduct containing an unprecedented isocarbonyl.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8685
_journal_page_last               8694
_journal_paper_doi               10.1039/c1dt10648a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C17 H8 Cs2 Fe4 O14'
_chemical_formula_weight         925.45
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.4020(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3586(6)
_cell_length_b                   16.2318(10)
_cell_length_c                   17.9126(10)
_cell_measurement_reflns_used    3116
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.306
_cell_measurement_theta_min      2.287
_cell_volume                     2635.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0830
_diffrn_reflns_av_sigmaI/netI    0.0755
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30303
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    4.944
_exptl_absorpt_correction_T_max  0.6123
_exptl_absorpt_correction_T_min  0.4233
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    2.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.560
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6301
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.1078
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0280P)²+0.0176P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                3496
_reflns_number_total             6301
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10648a.txt
_cod_data_source_block           p21ca
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7016496
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
Cs1 Cs 0.64602(4) 1.03407(3) 0.11505(2) 0.05355(13) Uani 1 1 d .
Cs2 Cs 0.68076(5) 1.08727(3) 0.37766(3) 0.06828(16) Uani 1 1 d .
Fe1 Fe 0.09548(9) 0.85296(5) 0.31260(5) 0.0432(2) Uani 1 1 d .
Fe2 Fe 0.21113(9) 0.88647(5) 0.19719(5) 0.0410(2) Uani 1 1 d .
Fe3 Fe 0.38009(9) 0.86417(5) 0.33012(5) 0.0408(2) Uani 1 1 d .
Fe4 Fe 0.21955(9) 0.99374(5) 0.30279(5) 0.0383(2) Uani 1 1 d .
C1 C 0.0604(7) 0.8773(4) 0.4021(4) 0.0526(17) Uani 1 1 d .
C2 C -0.0893(8) 0.8549(4) 0.2560(4) 0.0554(17) Uani 1 1 d .
C3 C 0.1044(7) 0.7451(5) 0.3281(4) 0.0627(19) Uani 1 1 d .
C4 C 0.3005(7) 0.8876(4) 0.1223(4) 0.0530(17) Uani 1 1 d .
C5 C 0.0662(7) 0.9517(4) 0.1523(4) 0.0490(16) Uani 1 1 d .
C6 C 0.1305(7) 0.7886(4) 0.1746(4) 0.0557(18) Uani 1 1 d .
C7 C 0.5708(7) 0.8785(4) 0.3574(4) 0.0508(17) Uani 1 1 d .
C8 C 0.3878(7) 0.7679(5) 0.2899(4) 0.0583(18) Uani 1 1 d .
C9 C 0.3638(7) 0.8370(4) 0.4226(4) 0.0574(18) Uani 1 1 d .
C10 C 0.0298(7) 1.0118(4) 0.2939(4) 0.0467(16) Uani 1 1 d .
C11 C 0.2892(7) 1.0085(4) 0.4015(4) 0.0589(19) Uani 1 1 d .
C12 C 0.2528(8) 1.0949(5) 0.2754(4) 0.063(2) Uani 1 1 d .
C13 C 0.3820(7) 0.9584(4) 0.2550(3) 0.0469(16) Uani 1 1 d .
O1 O 0.0372(5) 0.8910(3) 0.4609(3) 0.0778(16) Uani 1 1 d .
O2 O -0.2084(5) 0.8576(3) 0.2193(3) 0.0775(15) Uani 1 1 d .
O3 O 0.1087(6) 0.6763(3) 0.3405(3) 0.0834(17) Uani 1 1 d .
O4 O 0.3572(6) 0.8921(3) 0.0720(3) 0.0879(17) Uani 1 1 d .
O5 O -0.0307(5) 0.9893(3) 0.1158(3) 0.0647(13) Uani 1 1 d .
O6 O 0.0846(6) 0.7241(3) 0.1518(3) 0.0789(16) Uani 1 1 d .
O7 O 0.6973(5) 0.8884(3) 0.3748(3) 0.0828(16) Uani 1 1 d .
O8 O 0.4040(5) 0.6998(3) 0.2708(3) 0.0744(15) Uani 1 1 d .
O9 O 0.3686(6) 0.8173(3) 0.4850(3) 0.0840(17) Uani 1 1 d .
O10 O -0.0903(5) 1.0345(3) 0.2872(3) 0.0664(13) Uani 1 1 d .
O11 O 0.3301(6) 1.0229(3) 0.4671(3) 0.0871(17) Uani 1 1 d .
O12 O 0.2740(7) 1.1618(3) 0.2611(4) 0.102(2) Uani 1 1 d .
O13 O 0.4803(4) 0.9945(2) 0.2355(2) 0.0473(11) Uani 1 1 d .
O14 O 0.3470(5) 1.1012(3) 0.0118(3) 0.0675(13) Uani 1 1 d .
C14 C 0.3514(10) 1.1811(5) -0.0145(6) 0.105(3) Uani 1 1 d U
H14A H 0.3589 1.1802 -0.0676 0.126 Uiso 1 1 calc R
H14B H 0.4379 1.2090 0.0162 0.126 Uiso 1 1 calc R
C15 C 0.2237(11) 1.2244(6) -0.0099(6) 0.119(3) Uani 1 1 d U
H15A H 0.1555 1.2282 -0.0603 0.143 Uiso 1 1 calc R
H15B H 0.2489 1.2797 0.0094 0.143 Uiso 1 1 calc R
C16 C 0.1584(10) 1.1789(6) 0.0422(6) 0.117(3) Uani 1 1 d U
H16A H 0.0537 1.1712 0.0200 0.140 Uiso 1 1 calc R
H16B H 0.1716 1.2080 0.0907 0.140 Uiso 1 1 calc R
C17 C 0.2361(9) 1.0970(6) 0.0546(5) 0.100(3) Uani 1 1 d U
H17A H 0.2809 1.0881 0.1089 0.120 Uiso 1 1 calc R
H17B H 0.1675 1.0525 0.0357 0.120 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'
O O 0.0106 0.0060 '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'
Cs Cs -0.3680 2.1192 '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
O13 Cs1 O5 128.23(12) . 1_655
O13 Cs1 O14 87.37(11) . .
O5 Cs1 O14 143.83(12) 1_655 .
O13 Cs1 O14 118.00(12) . 3_675
O5 Cs1 O14 69.38(12) 1_655 3_675
O14 Cs1 O14 89.58(11) . 3_675
O13 Cs1 O3 115.97(12) . 2_655
O5 Cs1 O3 62.10(12) 1_655 2_655
O14 Cs1 O3 111.93(13) . 2_655
O14 Cs1 O3 122.28(13) 3_675 2_655
O13 Cs1 O10 75.02(11) . 1_655
O5 Cs1 O10 61.03(11) 1_655 1_655
O14 Cs1 O10 149.70(11) . 1_655
O14 Cs1 O10 120.38(11) 3_675 1_655
O3 Cs1 O10 57.80(13) 2_655 1_655
O13 Cs1 O8 65.00(11) . 2_655
O5 Cs1 O8 116.82(12) 1_655 2_655
O14 Cs1 O8 81.22(12) . 2_655
O14 Cs1 O8 170.27(12) 3_675 2_655
O3 Cs1 O8 59.43(12) 2_655 2_655
O10 Cs1 O8 69.09(11) 1_655 2_655
O13 Cs1 O4 60.69(11) . .
O5 Cs1 O4 123.12(12) 1_655 .
O14 Cs1 O4 64.62(13) . .
O14 Cs1 O4 62.45(12) 3_675 .
O3 Cs1 O4 174.71(12) 2_655 .
O10 Cs1 O4 122.91(12) 1_655 .
O8 Cs1 O4 115.48(11) 2_655 .
O13 Cs1 O2 69.27(11) . 1_655
O5 Cs1 O2 63.77(12) 1_655 1_655
O14 Cs1 O2 140.23(12) . 1_655
O14 Cs1 O2 75.00(12) 3_675 1_655
O3 Cs1 O2 107.24(13) 2_655 1_655
O10 Cs1 O2 55.00(11) 1_655 1_655
O8 Cs1 O2 114.21(12) 2_655 1_655
O4 Cs1 O2 75.80(12) . 1_655
O13 Cs1 O4 149.28(11) . 3_675
O5 Cs1 O4 82.11(12) 1_655 3_675
O14 Cs1 O4 61.97(12) . 3_675
O14 Cs1 O4 63.57(12) 3_675 3_675
O3 Cs1 O4 80.15(14) 2_655 3_675
O10 Cs1 O4 132.95(12) 1_655 3_675
O8 Cs1 O4 108.81(12) 2_655 3_675
O4 Cs1 O4 100.97(11) . 3_675
O2 Cs1 O4 133.60(12) 1_655 3_675
O13 Cs1 C17 66.78(14) . .
O5 Cs1 C17 164.26(15) 1_655 .
O14 Cs1 C17 20.64(14) . .
O14 Cs1 C17 100.29(17) 3_675 .
O3 Cs1 C17 118.60(17) 2_655 .
O10 Cs1 C17 133.93(15) 1_655 .
O8 Cs1 C17 71.96(16) 2_655 .
O4 Cs1 C17 56.71(16) . .
O2 Cs1 C17 126.43(15) 1_655 .
O4 Cs1 C17 82.60(15) 3_675 .
O13 Cs1 Cs1 107.47(8) . 3_675
O5 Cs1 Cs1 108.46(9) 1_655 3_675
O14 Cs1 Cs1 45.06(8) . 3_675
O14 Cs1 Cs1 44.51(8) 3_675 3_675
O3 Cs1 Cs1 129.78(10) 2_655 3_675
O10 Cs1 Cs1 164.43(7) 1_655 3_675
O8 Cs1 Cs1 126.20(8) 2_655 3_675
O4 Cs1 Cs1 51.10(9) . 3_675
O2 Cs1 Cs1 110.83(8) 1_655 3_675
O4 Cs1 Cs1 49.87(9) 3_675 3_675
C17 Cs1 Cs1 58.02(13) . 3_675
O9 Cs2 O10 145.62(13) 3_676 1_655
O9 Cs2 O13 136.02(12) 3_676 .
O10 Cs2 O13 78.20(11) 1_655 .
O9 Cs2 O8 109.25(14) 3_676 2_655
O10 Cs2 O8 77.40(12) 1_655 2_655
O13 Cs2 O8 67.73(11) . 2_655
O9 Cs2 O7 122.66(14) 3_676 .
O10 Cs2 O7 71.03(12) 1_655 .
O13 Cs2 O7 61.98(11) . .
O8 Cs2 O7 124.51(13) 2_655 .
O9 Cs2 O6 91.60(14) 3_676 2_655
O10 Cs2 O6 61.57(12) 1_655 2_655
O13 Cs2 O6 119.04(11) . 2_655
O8 Cs2 O6 60.51(12) 2_655 2_655
O7 Cs2 O6 129.90(12) . 2_655
O9 Cs2 O11 63.59(13) 3_676 3_676
O10 Cs2 O11 117.09(12) 1_655 3_676
O13 Cs2 O11 106.45(12) . 3_676
O8 Cs2 O11 163.73(13) 2_655 3_676
O7 Cs2 O11 59.24(13) . 3_676
O6 Cs2 O11 131.57(13) 2_655 3_676
O9 Cs2 O1 60.18(13) 3_676 3_676
O10 Cs2 O1 88.98(12) 1_655 3_676
O13 Cs2 O1 156.18(12) . 3_676
O8 Cs2 O1 129.23(13) 2_655 3_676
O7 Cs2 O1 94.98(13) . 3_676
O6 Cs2 O1 69.91(12) 2_655 3_676
O11 Cs2 O1 61.69(13) 3_676 3_676
O9 Cs2 C7 118.24(15) 3_676 .
O10 Cs2 C7 84.44(13) 1_655 .
O13 Cs2 C7 50.05(13) . .
O8 Cs2 C7 117.51(14) 2_655 .
O7 Cs2 C7 19.04(11) . .
O6 Cs2 C7 145.89(14) 2_655 .
O11 Cs2 C7 60.14(14) 3_676 .
O1 Cs2 C7 109.28(14) 3_676 .
O9 Cs2 C13 121.29(14) 3_676 .
O10 Cs2 C13 92.92(13) 1_655 .
O13 Cs2 C13 17.77(11) . .
O8 Cs2 C13 80.44(13) 2_655 .
O7 Cs2 C13 57.56(12) . .
O6 Cs2 C13 136.23(13) 2_655 .
O11 Cs2 C13 90.97(13) 3_676 .
O1 Cs2 C13 149.74(13) 3_676 .
C7 Cs2 C13 41.13(14) . .
O9 Cs2 C9 12.72(13) 3_676 3_676
O10 Cs2 C9 143.99(13) 1_655 3_676
O13 Cs2 C9 135.64(12) . 3_676
O8 Cs2 C9 121.85(14) 2_655 3_676
O7 Cs2 C9 110.23(14) . 3_676
O6 Cs2 C9 99.43(14) 2_655 3_676
O11 Cs2 C9 51.02(13) 3_676 3_676
O1 Cs2 C9 55.06(13) 3_676 3_676
C7 Cs2 C9 107.55(15) . 3_676
C13 Cs2 C9 118.73(14) . 3_676
O9 Cs2 Cs1 156.18(10) 3_676 .
O10 Cs2 Cs1 46.77(9) 1_655 .
O13 Cs2 Cs1 39.21(7) . .
O8 Cs2 Cs1 47.58(9) 2_655 .
O7 Cs2 Cs1 78.04(9) . .
O6 Cs2 Cs1 81.09(9) 2_655 .
O11 Cs2 Cs1 136.59(9) 3_676 .
O1 Cs2 Cs1 135.33(8) 3_676 .
C7 Cs2 Cs1 77.04(10) . .
C13 Cs2 Cs1 56.96(10) . .
C9 Cs2 Cs1 167.45(10) 3_676 .
C1 Fe1 C3 95.3(3) . .
C1 Fe1 C2 98.1(3) . .
C3 Fe1 C2 96.2(3) . .
C1 Fe1 Fe4 93.0(2) . .
C3 Fe1 Fe4 151.5(2) . .
C2 Fe1 Fe4 109.6(2) . .
C1 Fe1 Fe3 106.9(2) . .
C3 Fe1 Fe3 92.5(2) . .
C2 Fe1 Fe3 152.6(2) . .
Fe4 Fe1 Fe3 59.00(3) . .
C1 Fe1 Fe2 151.7(2) . .
C3 Fe1 Fe2 108.4(2) . .
C2 Fe1 Fe2 94.6(2) . .
Fe4 Fe1 Fe2 58.84(3) . .
Fe3 Fe1 Fe2 58.02(3) . .
C4 Fe2 C5 96.0(3) . .
C4 Fe2 C6 95.3(3) . .
C5 Fe2 C6 101.6(3) . .
C4 Fe2 C13 85.3(3) . .
C5 Fe2 C13 107.9(3) . .
C6 Fe2 C13 150.3(3) . .
C4 Fe2 Fe3 114.6(2) . .
C5 Fe2 Fe3 138.5(2) . .
C6 Fe2 Fe3 102.6(2) . .
C13 Fe2 Fe3 51.60(18) . .
C4 Fe2 Fe4 128.8(2) . .
C5 Fe2 Fe4 78.8(2) . .
C6 Fe2 Fe4 135.7(2) . .
C13 Fe2 Fe4 50.17(17) . .
Fe3 Fe2 Fe4 60.35(3) . .
C4 Fe2 Fe1 168.1(2) . .
C5 Fe2 Fe1 93.6(2) . .
C6 Fe2 Fe1 75.9(2) . .
C13 Fe2 Fe1 98.29(18) . .
Fe3 Fe2 Fe1 60.82(3) . .
Fe4 Fe2 Fe1 60.02(3) . .
C8 Fe3 C7 95.2(3) . .
C8 Fe3 C9 100.9(3) . .
C7 Fe3 C9 95.3(3) . .
C8 Fe3 C13 113.2(3) . .
C7 Fe3 C13 84.7(3) . .
C9 Fe3 C13 145.8(3) . .
C8 Fe3 Fe2 79.6(2) . .
C7 Fe3 Fe2 126.8(2) . .
C9 Fe3 Fe2 137.8(2) . .
C13 Fe3 Fe2 51.62(17) . .
C8 Fe3 Fe4 138.2(2) . .
C7 Fe3 Fe4 117.0(2) . .
C9 Fe3 Fe4 101.7(2) . .
C13 Fe3 Fe4 50.14(17) . .
Fe2 Fe3 Fe4 60.26(3) . .
C8 Fe3 Fe1 92.0(2) . .
C7 Fe3 Fe1 170.2(2) . .
C9 Fe3 Fe1 76.7(2) . .
C13 Fe3 Fe1 98.57(17) . .
Fe2 Fe3 Fe1 61.15(3) . .
Fe4 Fe3 Fe1 60.10(3) . .
C11 Fe4 C12 96.1(3) . .
C11 Fe4 C10 100.5(3) . .
C12 Fe4 C10 93.6(3) . .
C11 Fe4 C13 109.9(3) . .
C12 Fe4 C13 86.7(3) . .
C10 Fe4 C13 149.3(3) . .
C11 Fe4 Fe2 141.2(2) . .
C12 Fe4 Fe2 113.8(2) . .
C10 Fe4 Fe2 101.59(19) . .
C13 Fe4 Fe2 51.44(18) . .
C11 Fe4 Fe3 82.3(2) . .
C12 Fe4 Fe3 133.0(2) . .
C10 Fe4 Fe3 133.0(2) . .
C13 Fe4 Fe3 51.37(18) . .
Fe2 Fe4 Fe3 59.39(3) . .
C11 Fe4 Fe1 96.5(2) . .
C12 Fe4 Fe1 162.5(2) . .
C10 Fe4 Fe1 72.27(19) . .
C13 Fe4 Fe1 100.20(18) . .
Fe2 Fe4 Fe1 61.15(3) . .
Fe3 Fe4 Fe1 60.90(3) . .
O1 C1 Fe1 178.1(6) . .
O2 C2 Fe1 178.8(6) . .
O3 C3 Fe1 177.4(7) . .
O4 C4 Fe2 176.8(6) . .
O5 C5 Fe2 172.7(6) . .
O6 C6 Fe2 171.6(6) . .
O7 C7 Fe3 179.3(7) . .
O7 C7 Cs2 65.6(4) . .
Fe3 C7 Cs2 114.1(3) . .
O8 C8 Fe3 172.0(6) . .
O9 C9 Fe3 172.8(6) . .
O9 C9 Cs2 35.5(4) . 3_676
Fe3 C9 Cs2 147.1(3) . 3_676
O10 C10 Fe4 171.0(5) . .
O11 C11 Fe4 175.6(7) . .
O12 C12 Fe4 176.7(7) . .
O13 C13 Fe4 134.0(5) . .
O13 C13 Fe3 133.1(4) . .
Fe4 C13 Fe3 78.5(2) . .
O13 C13 Fe2 133.2(5) . .
Fe4 C13 Fe2 78.4(2) . .
Fe3 C13 Fe2 76.8(2) . .
O13 C13 Cs2 52.3(3) . .
Fe4 C13 Cs2 97.2(2) . .
Fe3 C13 Cs2 99.2(2) . .
Fe2 C13 Cs2 174.4(3) . .
C1 O1 Cs2 120.9(4) . 3_676
C2 O2 Cs1 122.0(5) . 1_455
C3 O3 Cs1 137.9(5) . 2_645
C4 O4 Cs1 110.4(5) . .
C4 O4 Cs1 149.2(5) . 3_675
Cs1 O4 Cs1 79.03(11) . 3_675
C5 O5 Cs1 139.0(5) . 1_455
C6 O6 Cs2 117.7(5) . 2_645
C7 O7 Cs2 95.3(4) . .
C8 O8 Cs2 139.7(5) . 2_645
C8 O8 Cs1 120.6(5) . 2_645
Cs2 O8 Cs1 90.30(12) 2_645 2_645
C9 O9 Cs2 131.8(5) . 3_676
C10 O10 Cs2 143.9(5) . 1_455
C10 O10 Cs1 123.6(4) . 1_455
Cs2 O10 Cs1 91.95(11) 1_455 1_455
C11 O11 Cs2 131.6(5) . 3_676
C13 O13 Cs1 150.3(4) . .
C13 O13 Cs2 109.9(4) . .
Cs1 O13 Cs2 99.65(11) . .
C14 O14 C17 108.2(6) . .
C14 O14 Cs1 115.3(5) . .
C17 O14 Cs1 109.0(4) . .
C14 O14 Cs1 113.4(5) . 3_675
C17 O14 Cs1 119.7(5) . 3_675
Cs1 O14 Cs1 90.42(11) . 3_675
O14 C14 C15 110.5(8) . .
O14 C14 H14A 109.6 . .
C15 C14 H14A 109.6 . .
O14 C14 H14B 109.6 . .
C15 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
C14 C15 C16 106.6(8) . .
C14 C15 H15A 110.4 . .
C16 C15 H15A 110.4 . .
C14 C15 H15B 110.4 . .
C16 C15 H15B 110.4 . .
H15A C15 H15B 108.6 . .
C15 C16 C17 106.4(7) . .
C15 C16 H16A 110.5 . .
C17 C16 H16A 110.5 . .
C15 C16 H16B 110.5 . .
C17 C16 H16B 110.5 . .
H16A C16 H16B 108.6 . .
O14 C17 C16 105.4(7) . .
O14 C17 Cs1 50.4(3) . .
C16 C17 Cs1 133.3(6) . .
O14 C17 H17A 110.7 . .
C16 C17 H17A 110.7 . .
Cs1 C17 H17A 61.7 . .
O14 C17 H17B 110.7 . .
C16 C17 H17B 110.7 . .
Cs1 C17 H17B 115.3 . .
H17A C17 H17B 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 O13 3.022(4) .
Cs1 O5 3.108(4) 1_655
Cs1 O14 3.142(5) .
Cs1 O14 3.172(5) 3_675
Cs1 O3 3.213(5) 2_655
Cs1 O10 3.437(5) 1_655
Cs1 O8 3.480(5) 2_655
Cs1 O4 3.490(5) .
Cs1 O2 3.505(5) 1_655
Cs1 O4 3.552(5) 3_675
Cs1 C17 3.856(8) .
Cs1 Cs1 4.4809(8) 3_675
Cs2 O9 3.038(5) 3_676
Cs2 O10 3.111(4) 1_655
Cs2 O13 3.146(4) .
Cs2 O8 3.161(5) 2_655
Cs2 O7 3.232(5) .
Cs2 O6 3.257(5) 2_655
Cs2 O11 3.329(5) 3_676
Cs2 O1 3.414(5) 3_676
Cs2 C7 3.533(6) .
Cs2 C13 3.737(6) .
Cs2 C9 3.902(7) 3_676
Fe1 C1 1.759(8) .
Fe1 C3 1.772(8) .
Fe1 C2 1.774(7) .
Fe1 Fe4 2.5890(12) .
Fe1 Fe3 2.6096(11) .
Fe1 Fe2 2.6180(12) .
Fe2 C4 1.748(7) .
Fe2 C5 1.750(7) .
Fe2 C6 1.761(8) .
Fe2 C13 2.042(6) .
Fe2 Fe3 2.5353(12) .
Fe2 Fe4 2.5577(11) .
Fe3 C8 1.730(8) .
Fe3 C7 1.745(6) .
Fe3 C9 1.758(8) .
Fe3 C13 2.041(6) .
Fe3 Fe4 2.5601(11) .
Fe4 C11 1.742(7) .
Fe4 C12 1.763(8) .
Fe4 C10 1.767(6) .
Fe4 C13 2.005(6) .
C1 O1 1.149(7) .
C2 O2 1.146(7) .
C3 O3 1.137(7) .
C4 O4 1.156(7) .
C5 O5 1.153(7) .
C6 O6 1.167(7) .
C7 O7 1.158(6) .
C8 O8 1.178(7) .
C9 O9 1.153(7) .
C9 Cs2 3.902(7) 3_676
C10 O10 1.160(6) .
C11 O11 1.165(7) .
C12 O12 1.144(7) .
C13 O13 1.213(6) .
O1 Cs2 3.414(5) 3_676
O2 Cs1 3.505(5) 1_455
O3 Cs1 3.213(5) 2_645
O4 Cs1 3.552(5) 3_675
O5 Cs1 3.108(4) 1_455
O6 Cs2 3.257(5) 2_645
O8 Cs2 3.161(5) 2_645
O8 Cs1 3.480(5) 2_645
O9 Cs2 3.038(5) 3_676
O10 Cs2 3.111(4) 1_455
O10 Cs1 3.437(5) 1_455
O11 Cs2 3.329(5) 3_676
O14 C14 1.384(8) .
O14 C17 1.437(8) .
O14 Cs1 3.172(5) 3_675
C14 C15 1.406(10) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.440(11) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.504(10) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
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_4
O13 Cs1 Cs2 O9 -92.4(3) . 3_676
O5 Cs1 Cs2 O9 132.1(3) 1_655 3_676
O14 Cs1 Cs2 O9 -33.0(3) . 3_676
O14 Cs1 Cs2 O9 -156.7(3) 3_675 3_676
O3 Cs1 Cs2 O9 75.4(3) 2_655 3_676
O10 Cs1 Cs2 O9 132.5(3) 1_655 3_676
O8 Cs1 Cs2 O9 15.5(3) 2_655 3_676
O4 Cs1 Cs2 O9 -100.0(3) . 3_676
O2 Cs1 Cs2 O9 -170.9(3) 1_655 3_676
O4 Cs1 Cs2 O9 36.7(3) 3_675 3_676
C17 Cs1 Cs2 O9 -43.4(3) . 3_676
Cs1 Cs1 Cs2 O9 -69.6(3) 3_675 3_676
O13 Cs1 Cs2 O10 135.10(16) . 1_655
O5 Cs1 Cs2 O10 -0.39(14) 1_655 1_655
O14 Cs1 Cs2 O10 -165.45(15) . 1_655
O14 Cs1 Cs2 O10 70.76(18) 3_675 1_655
O3 Cs1 Cs2 O10 -57.05(15) 2_655 1_655
O8 Cs1 Cs2 O10 -116.96(16) 2_655 1_655
O4 Cs1 Cs2 O10 127.55(14) . 1_655
O2 Cs1 Cs2 O10 56.65(14) 1_655 1_655
O4 Cs1 Cs2 O10 -95.8(2) 3_675 1_655
C17 Cs1 Cs2 O10 -175.88(18) . 1_655
Cs1 Cs1 Cs2 O10 157.90(11) 3_675 1_655
O5 Cs1 Cs2 O13 -135.48(15) 1_655 .
O14 Cs1 Cs2 O13 59.45(15) . .
O14 Cs1 Cs2 O13 -64.34(19) 3_675 .
O3 Cs1 Cs2 O13 167.86(15) 2_655 .
O10 Cs1 Cs2 O13 -135.10(16) 1_655 .
O8 Cs1 Cs2 O13 107.94(16) 2_655 .
O4 Cs1 Cs2 O13 -7.55(15) . .
O2 Cs1 Cs2 O13 -78.45(14) 1_655 .
O4 Cs1 Cs2 O13 129.2(2) 3_675 .
C17 Cs1 Cs2 O13 49.03(18) . .
Cs1 Cs1 Cs2 O13 22.81(12) 3_675 .
O13 Cs1 Cs2 O8 -107.94(16) . 2_655
O5 Cs1 Cs2 O8 116.58(15) 1_655 2_655
O14 Cs1 Cs2 O8 -48.49(15) . 2_655
O14 Cs1 Cs2 O8 -172.28(19) 3_675 2_655
O3 Cs1 Cs2 O8 59.91(15) 2_655 2_655
O10 Cs1 Cs2 O8 116.96(16) 1_655 2_655
O4 Cs1 Cs2 O8 -115.49(15) . 2_655
O2 Cs1 Cs2 O8 173.61(14) 1_655 2_655
O4 Cs1 Cs2 O8 21.2(2) 3_675 2_655
C17 Cs1 Cs2 O8 -58.91(18) . 2_655
Cs1 Cs1 Cs2 O8 -85.14(12) 3_675 2_655
O13 Cs1 Cs2 O7 59.99(14) . .
O5 Cs1 Cs2 O7 -75.49(12) 1_655 .
O14 Cs1 Cs2 O7 119.44(13) . .
O14 Cs1 Cs2 O7 -4.35(17) 3_675 .
O3 Cs1 Cs2 O7 -132.15(13) 2_655 .
O10 Cs1 Cs2 O7 -75.10(14) 1_655 .
O8 Cs1 Cs2 O7 167.93(14) 2_655 .
O4 Cs1 Cs2 O7 52.44(12) . .
O2 Cs1 Cs2 O7 -18.46(12) 1_655 .
O4 Cs1 Cs2 O7 -170.86(18) 3_675 .
C17 Cs1 Cs2 O7 109.02(16) . .
Cs1 Cs1 Cs2 O7 82.80(9) 3_675 .
O13 Cs1 Cs2 O6 -165.83(14) . 2_655
O5 Cs1 Cs2 O6 58.69(12) 1_655 2_655
O14 Cs1 Cs2 O6 -106.38(13) . 2_655
O14 Cs1 Cs2 O6 129.83(17) 3_675 2_655
O3 Cs1 Cs2 O6 2.02(13) 2_655 2_655
O10 Cs1 Cs2 O6 59.07(14) 1_655 2_655
O8 Cs1 Cs2 O6 -57.89(15) 2_655 2_655
O4 Cs1 Cs2 O6 -173.38(13) . 2_655
O2 Cs1 Cs2 O6 115.72(12) 1_655 2_655
O4 Cs1 Cs2 O6 -36.68(19) 3_675 2_655
C17 Cs1 Cs2 O6 -116.80(16) . 2_655
Cs1 Cs1 Cs2 O6 -143.02(10) 3_675 2_655
O13 Cs1 Cs2 O11 49.92(18) . 3_676
O5 Cs1 Cs2 O11 -85.56(16) 1_655 3_676
O14 Cs1 Cs2 O11 109.37(17) . 3_676
O14 Cs1 Cs2 O11 -14.4(2) 3_675 3_676
O3 Cs1 Cs2 O11 -142.22(17) 2_655 3_676
O10 Cs1 Cs2 O11 -85.17(17) 1_655 3_676
O8 Cs1 Cs2 O11 157.87(18) 2_655 3_676
O4 Cs1 Cs2 O11 42.38(16) . 3_676
O2 Cs1 Cs2 O11 -28.53(16) 1_655 3_676
O4 Cs1 Cs2 O11 179.1(2) 3_675 3_676
C17 Cs1 Cs2 O11 98.95(19) . 3_676
Cs1 Cs1 Cs2 O11 72.73(14) 3_675 3_676
O13 Cs1 Cs2 O1 144.95(17) . 3_676
O5 Cs1 Cs2 O1 9.47(15) 1_655 3_676
O14 Cs1 Cs2 O1 -155.60(16) . 3_676
O14 Cs1 Cs2 O1 80.6(2) 3_675 3_676
O3 Cs1 Cs2 O1 -47.20(16) 2_655 3_676
O10 Cs1 Cs2 O1 9.85(17) 1_655 3_676
O8 Cs1 Cs2 O1 -107.11(18) 2_655 3_676
O4 Cs1 Cs2 O1 137.40(15) . 3_676
O2 Cs1 Cs2 O1 66.50(15) 1_655 3_676
O4 Cs1 Cs2 O1 -85.9(2) 3_675 3_676
C17 Cs1 Cs2 O1 -166.02(19) . 3_676
Cs1 Cs1 Cs2 O1 167.75(13) 3_675 3_676
O13 Cs1 Cs2 C7 40.52(15) . .
O5 Cs1 Cs2 C7 -94.96(13) 1_655 .
O14 Cs1 Cs2 C7 99.97(14) . .
O14 Cs1 Cs2 C7 -23.82(18) 3_675 .
O3 Cs1 Cs2 C7 -151.63(14) 2_655 .
O10 Cs1 Cs2 C7 -94.58(15) 1_655 .
O8 Cs1 Cs2 C7 148.46(16) 2_655 .
O4 Cs1 Cs2 C7 32.97(14) . .
O2 Cs1 Cs2 C7 -37.93(13) 1_655 .
O4 Cs1 Cs2 C7 169.67(19) 3_675 .
C17 Cs1 Cs2 C7 89.54(17) . .
Cs1 Cs1 Cs2 C7 63.32(11) 3_675 .
O13 Cs1 Cs2 C13 1.08(16) . .
O5 Cs1 Cs2 C13 -134.40(14) 1_655 .
O14 Cs1 Cs2 C13 60.53(14) . .
O14 Cs1 Cs2 C13 -63.26(18) 3_675 .
O3 Cs1 Cs2 C13 168.94(14) 2_655 .
O10 Cs1 Cs2 C13 -134.02(15) 1_655 .
O8 Cs1 Cs2 C13 109.02(16) 2_655 .
O4 Cs1 Cs2 C13 -6.47(14) . .
O2 Cs1 Cs2 C13 -77.37(13) 1_655 .
O4 Cs1 Cs2 C13 130.2(2) 3_675 .
C17 Cs1 Cs2 C13 50.11(17) . .
Cs1 Cs1 Cs2 C13 23.89(11) 3_675 .
O13 Cs1 Cs2 C9 -72.5(5) . 3_676
O5 Cs1 Cs2 C9 152.0(5) 1_655 3_676
O14 Cs1 Cs2 C9 -13.0(5) . 3_676
O14 Cs1 Cs2 C9 -136.8(5) 3_675 3_676
O3 Cs1 Cs2 C9 95.4(5) 2_655 3_676
O10 Cs1 Cs2 C9 152.4(5) 1_655 3_676
O8 Cs1 Cs2 C9 35.5(5) 2_655 3_676
O4 Cs1 Cs2 C9 -80.0(5) . 3_676
O2 Cs1 Cs2 C9 -150.9(5) 1_655 3_676
O4 Cs1 Cs2 C9 56.7(5) 3_675 3_676
C17 Cs1 Cs2 C9 -23.4(5) . 3_676
Cs1 Cs1 Cs2 C9 -49.7(5) 3_675 3_676
C1 Fe1 Fe2 C4 134.4(11) . .
C3 Fe1 Fe2 C4 -10.9(10) . .
C2 Fe1 Fe2 C4 -109.0(10) . .
Fe4 Fe1 Fe2 C4 140.8(10) . .
Fe3 Fe1 Fe2 C4 70.2(10) . .
C1 Fe1 Fe2 C5 -81.3(5) . .
C3 Fe1 Fe2 C5 133.4(3) . .
C2 Fe1 Fe2 C5 35.3(3) . .
Fe4 Fe1 Fe2 C5 -74.9(2) . .
Fe3 Fe1 Fe2 C5 -145.5(2) . .
C1 Fe1 Fe2 C6 177.7(5) . .
C3 Fe1 Fe2 C6 32.4(3) . .
C2 Fe1 Fe2 C6 -65.8(3) . .
Fe4 Fe1 Fe2 C6 -175.9(2) . .
Fe3 Fe1 Fe2 C6 113.5(2) . .
C1 Fe1 Fe2 C13 27.3(5) . .
C3 Fe1 Fe2 C13 -117.9(3) . .
C2 Fe1 Fe2 C13 143.9(3) . .
Fe4 Fe1 Fe2 C13 33.77(17) . .
Fe3 Fe1 Fe2 C13 -36.84(17) . .
C1 Fe1 Fe2 Fe3 64.2(4) . .
C3 Fe1 Fe2 Fe3 -81.1(2) . .
C2 Fe1 Fe2 Fe3 -179.2(2) . .
Fe4 Fe1 Fe2 Fe3 70.61(3) . .
C1 Fe1 Fe2 Fe4 -6.4(4) . .
C3 Fe1 Fe2 Fe4 -151.7(2) . .
C2 Fe1 Fe2 Fe4 110.1(2) . .
Fe3 Fe1 Fe2 Fe4 -70.61(3) . .
C4 Fe2 Fe3 C8 -69.6(3) . .
C5 Fe2 Fe3 C8 156.7(4) . .
C6 Fe2 Fe3 C8 32.4(3) . .
C13 Fe2 Fe3 C8 -131.1(3) . .
Fe4 Fe2 Fe3 C8 168.2(2) . .
Fe1 Fe2 Fe3 C8 98.1(2) . .
C4 Fe2 Fe3 C7 19.1(4) . .
C5 Fe2 Fe3 C7 -114.6(4) . .
C6 Fe2 Fe3 C7 121.1(3) . .
C13 Fe2 Fe3 C7 -42.4(3) . .
Fe4 Fe2 Fe3 C7 -103.1(3) . .
Fe1 Fe2 Fe3 C7 -173.1(3) . .
C4 Fe2 Fe3 C9 -164.3(4) . .
C5 Fe2 Fe3 C9 62.0(4) . .
C6 Fe2 Fe3 C9 -62.3(4) . .
C13 Fe2 Fe3 C9 134.2(4) . .
Fe4 Fe2 Fe3 C9 73.5(3) . .
Fe1 Fe2 Fe3 C9 3.4(3) . .
C4 Fe2 Fe3 C13 61.5(3) . .
C5 Fe2 Fe3 C13 -72.2(4) . .
C6 Fe2 Fe3 C13 163.5(3) . .
Fe4 Fe2 Fe3 C13 -60.7(2) . .
Fe1 Fe2 Fe3 C13 -130.8(2) . .
C4 Fe2 Fe3 Fe4 122.2(2) . .
C5 Fe2 Fe3 Fe4 -11.5(3) . .
C6 Fe2 Fe3 Fe4 -135.8(2) . .
C13 Fe2 Fe3 Fe4 60.7(2) . .
Fe1 Fe2 Fe3 Fe4 -70.07(3) . .
C4 Fe2 Fe3 Fe1 -167.7(2) . .
C5 Fe2 Fe3 Fe1 58.6(3) . .
C6 Fe2 Fe3 Fe1 -65.7(2) . .
C13 Fe2 Fe3 Fe1 130.8(2) . .
Fe4 Fe2 Fe3 Fe1 70.07(3) . .
C1 Fe1 Fe3 C8 129.6(3) . .
C3 Fe1 Fe3 C8 33.3(3) . .
C2 Fe1 Fe3 C8 -75.3(5) . .
Fe4 Fe1 Fe3 C8 -147.3(2) . .
Fe2 Fe1 Fe3 C8 -76.9(2) . .
C1 Fe1 Fe3 C7 -7.5(12) . .
C3 Fe1 Fe3 C7 -103.7(12) . .
C2 Fe1 Fe3 C7 147.7(13) . .
Fe4 Fe1 Fe3 C7 75.7(12) . .
Fe2 Fe1 Fe3 C7 146.0(12) . .
C1 Fe1 Fe3 C9 28.9(3) . .
C3 Fe1 Fe3 C9 -67.4(3) . .
C2 Fe1 Fe3 C9 -176.0(5) . .
Fe4 Fe1 Fe3 C9 112.0(2) . .
Fe2 Fe1 Fe3 C9 -177.6(2) . .
C1 Fe1 Fe3 C13 -116.6(3) . .
C3 Fe1 Fe3 C13 147.1(3) . .
C2 Fe1 Fe3 C13 38.5(5) . .
Fe4 Fe1 Fe3 C13 -33.44(17) . .
Fe2 Fe1 Fe3 C13 36.89(17) . .
C1 Fe1 Fe3 Fe2 -153.5(2) . .
C3 Fe1 Fe3 Fe2 110.3(2) . .
C2 Fe1 Fe3 Fe2 1.6(5) . .
Fe4 Fe1 Fe3 Fe2 -70.33(4) . .
C1 Fe1 Fe3 Fe4 -83.1(2) . .
C3 Fe1 Fe3 Fe4 -179.4(2) . .
C2 Fe1 Fe3 Fe4 72.0(5) . .
Fe2 Fe1 Fe3 Fe4 70.33(4) . .
C4 Fe2 Fe4 C11 -109.0(4) . .
C5 Fe2 Fe4 C11 162.3(4) . .
C6 Fe2 Fe4 C11 67.1(5) . .
C13 Fe2 Fe4 C11 -72.8(4) . .
Fe3 Fe2 Fe4 C11 -9.9(4) . .
Fe1 Fe2 Fe4 C11 61.4(4) . .
C4 Fe2 Fe4 C12 28.3(4) . .
C5 Fe2 Fe4 C12 -60.5(3) . .
C6 Fe2 Fe4 C12 -155.7(4) . .
C13 Fe2 Fe4 C12 64.4(3) . .
Fe3 Fe2 Fe4 C12 127.3(3) . .
Fe1 Fe2 Fe4 C12 -161.3(3) . .
C4 Fe2 Fe4 C10 127.5(3) . .
C5 Fe2 Fe4 C10 38.8(3) . .
C6 Fe2 Fe4 C10 -56.4(4) . .
C13 Fe2 Fe4 C10 163.6(3) . .
Fe3 Fe2 Fe4 C10 -133.5(2) . .
Fe1 Fe2 Fe4 C10 -62.1(2) . .
C4 Fe2 Fe4 C13 -36.1(3) . .
C5 Fe2 Fe4 C13 -124.9(3) . .
C6 Fe2 Fe4 C13 139.9(4) . .
Fe3 Fe2 Fe4 C13 62.9(2) . .
Fe1 Fe2 Fe4 C13 134.3(2) . .
C4 Fe2 Fe4 Fe3 -99.0(3) . .
C5 Fe2 Fe4 Fe3 172.2(2) . .
C6 Fe2 Fe4 Fe3 77.1(3) . .
C13 Fe2 Fe4 Fe3 -62.9(2) . .
Fe1 Fe2 Fe4 Fe3 71.38(4) . .
C4 Fe2 Fe4 Fe1 -170.4(3) . .
C5 Fe2 Fe4 Fe1 100.86(19) . .
C6 Fe2 Fe4 Fe1 5.7(3) . .
C13 Fe2 Fe4 Fe1 -134.3(2) . .
Fe3 Fe2 Fe4 Fe1 -71.38(3) . .
C8 Fe3 Fe4 C11 156.2(4) . .
C7 Fe3 Fe4 C11 -67.4(3) . .
C9 Fe3 Fe4 C11 34.8(3) . .
C13 Fe3 Fe4 C11 -123.3(3) . .
Fe2 Fe3 Fe4 C11 173.7(2) . .
Fe1 Fe3 Fe4 C11 101.9(2) . .
C8 Fe3 Fe4 C12 -112.7(5) . .
C7 Fe3 Fe4 C12 23.8(4) . .
C9 Fe3 Fe4 C12 126.0(4) . .
C13 Fe3 Fe4 C12 -32.1(4) . .
Fe2 Fe3 Fe4 C12 -95.1(3) . .
Fe1 Fe3 Fe4 C12 -166.9(3) . .
C8 Fe3 Fe4 C10 58.9(4) . .
C7 Fe3 Fe4 C10 -164.6(4) . .
C9 Fe3 Fe4 C10 -62.4(4) . .
C13 Fe3 Fe4 C10 139.5(4) . .
Fe2 Fe3 Fe4 C10 76.5(3) . .
Fe1 Fe3 Fe4 C10 4.7(3) . .
C8 Fe3 Fe4 C13 -80.5(4) . .
C7 Fe3 Fe4 C13 55.9(3) . .
C9 Fe3 Fe4 C13 158.1(3) . .
Fe2 Fe3 Fe4 C13 -63.0(2) . .
Fe1 Fe3 Fe4 C13 -134.8(2) . .
C8 Fe3 Fe4 Fe2 -17.6(3) . .
C7 Fe3 Fe4 Fe2 118.9(2) . .
C9 Fe3 Fe4 Fe2 -138.9(2) . .
C13 Fe3 Fe4 Fe2 63.0(2) . .
Fe1 Fe3 Fe4 Fe2 -71.80(4) . .
C8 Fe3 Fe4 Fe1 54.2(3) . .
C7 Fe3 Fe4 Fe1 -169.3(2) . .
C9 Fe3 Fe4 Fe1 -67.1(2) . .
C13 Fe3 Fe4 Fe1 134.8(2) . .
Fe2 Fe3 Fe4 Fe1 71.80(4) . .
C1 Fe1 Fe4 C11 30.6(3) . .
C3 Fe1 Fe4 C11 -76.2(5) . .
C2 Fe1 Fe4 C11 130.3(3) . .
Fe3 Fe1 Fe4 C11 -77.4(2) . .
Fe2 Fe1 Fe4 C11 -146.4(2) . .
C1 Fe1 Fe4 C12 -105.6(8) . .
C3 Fe1 Fe4 C12 147.7(9) . .
C2 Fe1 Fe4 C12 -5.9(8) . .
Fe3 Fe1 Fe4 C12 146.5(8) . .
Fe2 Fe1 Fe4 C12 77.5(8) . .
C1 Fe1 Fe4 C10 -68.4(3) . .
C3 Fe1 Fe4 C10 -175.2(5) . .
C2 Fe1 Fe4 C10 31.3(3) . .
Fe3 Fe1 Fe4 C10 -176.4(2) . .
Fe2 Fe1 Fe4 C10 114.6(2) . .
C1 Fe1 Fe4 C13 142.3(3) . .
C3 Fe1 Fe4 C13 35.5(5) . .
C2 Fe1 Fe4 C13 -118.1(3) . .
Fe3 Fe1 Fe4 C13 34.30(17) . .
Fe2 Fe1 Fe4 C13 -34.68(17) . .
C1 Fe1 Fe4 Fe2 176.9(2) . .
C3 Fe1 Fe4 Fe2 70.2(5) . .
C2 Fe1 Fe4 Fe2 -83.4(2) . .
Fe3 Fe1 Fe4 Fe2 68.98(3) . .
C1 Fe1 Fe4 Fe3 108.0(2) . .
C3 Fe1 Fe4 Fe3 1.2(5) . .
C2 Fe1 Fe4 Fe3 -152.4(2) . .
Fe2 Fe1 Fe4 Fe3 -68.98(3) . .
C3 Fe1 C1 O1 -6(18) . .
C2 Fe1 C1 O1 91(18) . .
Fe4 Fe1 C1 O1 -159(18) . .
Fe3 Fe1 C1 O1 -100(18) . .
Fe2 Fe1 C1 O1 -153(18) . .
C1 Fe1 C2 O2 84(31) . .
C3 Fe1 C2 O2 180(100) . .
Fe4 Fe1 C2 O2 -13(31) . .
Fe3 Fe1 C2 O2 -72(31) . .
Fe2 Fe1 C2 O2 -71(31) . .
C1 Fe1 C3 O3 5(15) . .
C2 Fe1 C3 O3 -94(15) . .
Fe4 Fe1 C3 O3 111(15) . .
Fe3 Fe1 C3 O3 112(15) . .
Fe2 Fe1 C3 O3 169(15) . .
C5 Fe2 C4 O4 31(11) . .
C6 Fe2 C4 O4 133(11) . .
C13 Fe2 C4 O4 -77(11) . .
Fe3 Fe2 C4 O4 -120(11) . .
Fe4 Fe2 C4 O4 -50(11) . .
Fe1 Fe2 C4 O4 175(10) . .
C4 Fe2 C5 O5 48(4) . .
C6 Fe2 C5 O5 -49(4) . .
C13 Fe2 C5 O5 135(4) . .
Fe3 Fe2 C5 O5 -173(4) . .
Fe4 Fe2 C5 O5 176(5) . .
Fe1 Fe2 C5 O5 -125(4) . .
C4 Fe2 C6 O6 -4(4) . .
C5 Fe2 C6 O6 93(4) . .
C13 Fe2 C6 O6 -94(4) . .
Fe3 Fe2 C6 O6 -121(4) . .
Fe4 Fe2 C6 O6 179(4) . .
Fe1 Fe2 C6 O6 -176(4) . .
C8 Fe3 C7 O7 91(63) . .
C9 Fe3 C7 O7 -167(100) . .
C13 Fe3 C7 O7 -22(63) . .
Fe2 Fe3 C7 O7 10(63) . .
Fe4 Fe3 C7 O7 -61(63) . .
Fe1 Fe3 C7 O7 -132(63) . .
C8 Fe3 C7 Cs2 156.0(3) . .
C9 Fe3 C7 Cs2 -102.6(3) . .
C13 Fe3 C7 Cs2 43.1(3) . .
Fe2 Fe3 C7 Cs2 75.1(3) . .
Fe4 Fe3 C7 Cs2 3.4(3) . .
Fe1 Fe3 C7 Cs2 -67.2(13) . .
O9 Cs2 C7 O7 -108.8(4) 3_676 .
O10 Cs2 C7 O7 44.0(4) 1_655 .
O13 Cs2 C7 O7 123.3(5) . .
O8 Cs2 C7 O7 116.7(4) 2_655 .
O6 Cs2 C7 O7 39.4(6) 2_655 .
O11 Cs2 C7 O7 -81.7(4) 3_676 .
O1 Cs2 C7 O7 -43.0(5) 3_676 .
C13 Cs2 C7 O7 144.9(5) . .
C9 Cs2 C7 O7 -101.2(4) 3_676 .
Cs1 Cs2 C7 O7 90.9(4) . .
O9 Cs2 C7 Fe3 71.9(3) 3_676 .
O10 Cs2 C7 Fe3 -135.3(3) 1_655 .
O13 Cs2 C7 Fe3 -56.1(3) . .
O8 Cs2 C7 Fe3 -62.6(3) 2_655 .
O7 Cs2 C7 Fe3 -179.3(7) . .
O6 Cs2 C7 Fe3 -139.9(2) 2_655 .
O11 Cs2 C7 Fe3 99.0(3) 3_676 .
O1 Cs2 C7 Fe3 137.7(3) 3_676 .
C13 Cs2 C7 Fe3 -34.4(2) . .
C9 Cs2 C7 Fe3 79.4(3) 3_676 .
Cs1 Cs2 C7 Fe3 -88.4(3) . .
C7 Fe3 C8 O8 55(4) . .
C9 Fe3 C8 O8 -42(4) . .
C13 Fe3 C8 O8 141(4) . .
Fe2 Fe3 C8 O8 -179(100) . .
Fe4 Fe3 C8 O8 -163(4) . .
Fe1 Fe3 C8 O8 -119(4) . .
C8 Fe3 C9 O9 76(5) . .
C7 Fe3 C9 O9 -20(5) . .
C13 Fe3 C9 O9 -109(5) . .
Fe2 Fe3 C9 O9 163(5) . .
Fe4 Fe3 C9 O9 -139(5) . .
Fe1 Fe3 C9 O9 166(5) . .
C8 Fe3 C9 Cs2 -178.0(5) . 3_676
C7 Fe3 C9 Cs2 85.6(6) . 3_676
C13 Fe3 C9 Cs2 -2.8(9) . 3_676
Fe2 Fe3 C9 Cs2 -91.6(6) . 3_676
Fe4 Fe3 C9 Cs2 -33.4(6) . 3_676
Fe1 Fe3 C9 Cs2 -88.5(5) . 3_676
C11 Fe4 C10 O10 86(4) . .
C12 Fe4 C10 O10 -11(4) . .
C13 Fe4 C10 O10 -101(4) . .
Fe2 Fe4 C10 O10 -126(4) . .
Fe3 Fe4 C10 O10 175(3) . .
Fe1 Fe4 C10 O10 179(100) . .
C12 Fe4 C11 O11 51(9) . .
C10 Fe4 C11 O11 -44(9) . .
C13 Fe4 C11 O11 139(9) . .
Fe2 Fe4 C11 O11 -168(8) . .
Fe3 Fe4 C11 O11 -177(9) . .
Fe1 Fe4 C11 O11 -117(9) . .
C11 Fe4 C12 O12 -25(12) . .
C10 Fe4 C12 O12 76(12) . .
C13 Fe4 C12 O12 -135(12) . .
Fe2 Fe4 C12 O12 -180(100) . .
Fe3 Fe4 C12 O12 -110(12) . .
Fe1 Fe4 C12 O12 111(12) . .
C11 Fe4 C13 O13 -78.8(7) . .
C12 Fe4 C13 O13 16.5(7) . .
C10 Fe4 C13 O13 108.0(7) . .
Fe2 Fe4 C13 O13 140.7(7) . .
Fe3 Fe4 C13 O13 -140.6(7) . .
Fe1 Fe4 C13 O13 -179.7(6) . .
C11 Fe4 C13 Fe3 61.8(3) . .
C12 Fe4 C13 Fe3 157.1(3) . .
C10 Fe4 C13 Fe3 -111.4(5) . .
Fe2 Fe4 C13 Fe3 -78.67(18) . .
Fe1 Fe4 C13 Fe3 -39.07(16) . .
C11 Fe4 C13 Fe2 140.4(3) . .
C12 Fe4 C13 Fe2 -124.2(3) . .
C10 Fe4 C13 Fe2 -32.7(6) . .
Fe3 Fe4 C13 Fe2 78.67(18) . .
Fe1 Fe4 C13 Fe2 39.60(17) . .
C11 Fe4 C13 Cs2 -36.2(3) . .
C12 Fe4 C13 Cs2 59.1(3) . .
C10 Fe4 C13 Cs2 150.6(4) . .
Fe2 Fe4 C13 Cs2 -176.6(3) . .
Fe3 Fe4 C13 Cs2 -97.96(19) . .
Fe1 Fe4 C13 Cs2 -137.03(10) . .
C8 Fe3 C13 O13 -84.3(7) . .
C7 Fe3 C13 O13 9.2(6) . .
C9 Fe3 C13 O13 100.9(7) . .
Fe2 Fe3 C13 O13 -138.0(7) . .
Fe4 Fe3 C13 O13 141.4(7) . .
Fe1 Fe3 C13 O13 179.8(6) . .
C8 Fe3 C13 Fe4 134.4(3) . .
C7 Fe3 C13 Fe4 -132.2(3) . .
C9 Fe3 C13 Fe4 -40.5(6) . .
Fe2 Fe3 C13 Fe4 80.61(18) . .
Fe1 Fe3 C13 Fe4 38.49(16) . .
C8 Fe3 C13 Fe2 53.8(3) . .
C7 Fe3 C13 Fe2 147.2(3) . .
C9 Fe3 C13 Fe2 -121.1(5) . .
Fe4 Fe3 C13 Fe2 -80.61(18) . .
Fe1 Fe3 C13 Fe2 -42.12(15) . .
C8 Fe3 C13 Cs2 -130.1(2) . .
C7 Fe3 C13 Cs2 -36.7(2) . .
C9 Fe3 C13 Cs2 55.0(5) . .
Fe2 Fe3 C13 Cs2 176.1(2) . .
Fe4 Fe3 C13 Cs2 95.50(19) . .
Fe1 Fe3 C13 Cs2 133.99(11) . .
C4 Fe2 C13 O13 11.2(6) . .
C5 Fe2 C13 O13 -83.6(6) . .
C6 Fe2 C13 O13 103.8(8) . .
Fe3 Fe2 C13 O13 137.9(7) . .
Fe4 Fe2 C13 O13 -141.4(7) . .
Fe1 Fe2 C13 O13 179.8(6) . .
C4 Fe2 C13 Fe4 152.6(3) . .
C5 Fe2 C13 Fe4 57.7(3) . .
C6 Fe2 C13 Fe4 -114.9(5) . .
Fe3 Fe2 C13 Fe4 -80.74(19) . .
Fe1 Fe2 C13 Fe4 -38.82(17) . .
C4 Fe2 C13 Fe3 -126.7(3) . .
C5 Fe2 C13 Fe3 138.5(2) . .
C6 Fe2 C13 Fe3 -34.1(6) . .
Fe4 Fe2 C13 Fe3 80.74(19) . .
Fe1 Fe2 C13 Fe3 41.92(15) . .
C4 Fe2 C13 Cs2 -170(3) . .
C5 Fe2 C13 Cs2 95(3) . .
C6 Fe2 C13 Cs2 -78(3) . .
Fe3 Fe2 C13 Cs2 -44(3) . .
Fe4 Fe2 C13 Cs2 37(2) . .
Fe1 Fe2 C13 Cs2 -2(3) . .
O9 Cs2 C13 O13 149.6(4) 3_676 .
O10 Cs2 C13 O13 -33.9(4) 1_655 .
O8 Cs2 C13 O13 42.8(4) 2_655 .
O7 Cs2 C13 O13 -99.2(4) . .
O6 Cs2 C13 O13 16.6(5) 2_655 .
O11 Cs2 C13 O13 -151.1(4) 3_676 .
O1 Cs2 C13 O13 -126.9(4) 3_676 .
C7 Cs2 C13 O13 -112.0(4) . .
C9 Cs2 C13 O13 164.0(4) 3_676 .
Cs1 Cs2 C13 O13 -2.2(3) . .
O9 Cs2 C13 Fe4 7.6(3) 3_676 .
O10 Cs2 C13 Fe4 -175.9(2) 1_655 .
O13 Cs2 C13 Fe4 -142.0(5) . .
O8 Cs2 C13 Fe4 -99.2(2) 2_655 .
O7 Cs2 C13 Fe4 118.8(3) . .
O6 Cs2 C13 Fe4 -125.4(2) 2_655 .
O11 Cs2 C13 Fe4 66.9(2) 3_676 .
O1 Cs2 C13 Fe4 91.1(3) 3_676 .
C7 Cs2 C13 Fe4 106.0(3) . .
C9 Cs2 C13 Fe4 22.0(3) 3_676 .
Cs1 Cs2 C13 Fe4 -144.3(2) . .
O9 Cs2 C13 Fe3 -71.9(2) 3_676 .
O10 Cs2 C13 Fe3 104.6(2) 1_655 .
O13 Cs2 C13 Fe3 138.5(5) . .
O8 Cs2 C13 Fe3 -178.7(2) 2_655 .
O7 Cs2 C13 Fe3 39.37(17) . .
O6 Cs2 C13 Fe3 155.16(17) 2_655 .
O11 Cs2 C13 Fe3 -12.5(2) 3_676 .
O1 Cs2 C13 Fe3 11.7(4) 3_676 .
C7 Cs2 C13 Fe3 26.53(18) . .
C9 Cs2 C13 Fe3 -57.5(2) 3_676 .
Cs1 Cs2 C13 Fe3 136.3(2) . .
O9 Cs2 C13 Fe2 -29(3) 3_676 .
O10 Cs2 C13 Fe2 148(3) 1_655 .
O13 Cs2 C13 Fe2 -178(100) . .
O8 Cs2 C13 Fe2 -136(3) 2_655 .
O7 Cs2 C13 Fe2 82(3) . .
O6 Cs2 C13 Fe2 -162(3) 2_655 .
O11 Cs2 C13 Fe2 30(3) 3_676 .
O1 Cs2 C13 Fe2 55(3) 3_676 .
C7 Cs2 C13 Fe2 70(3) . .
C9 Cs2 C13 Fe2 -14(3) 3_676 .
Cs1 Cs2 C13 Fe2 179(100) . .
Fe1 C1 O1 Cs2 92(18) . 3_676
Fe1 C2 O2 Cs1 13(32) . 1_455
Fe1 C3 O3 Cs1 -111(15) . 2_645
Fe2 C4 O4 Cs1 69(11) . .
Fe2 C4 O4 Cs1 -35(12) . 3_675
O13 Cs1 O4 C4 4.1(5) . .
O5 Cs1 O4 C4 122.9(5) 1_655 .
O14 Cs1 O4 C4 -97.9(5) . .
O14 Cs1 O4 C4 158.3(5) 3_675 .
O3 Cs1 O4 C4 -47.7(18) 2_655 .
O10 Cs1 O4 C4 48.4(5) 1_655 .
O8 Cs1 O4 C4 -32.3(5) 2_655 .
O2 Cs1 O4 C4 78.1(5) 1_655 .
O4 Cs1 O4 C4 -149.4(5) 3_675 .
C17 Cs1 O4 C4 -76.0(5) . .
Cs1 Cs1 O4 C4 -149.4(5) 3_675 .
O13 Cs1 O4 Cs1 153.57(15) . 3_675
O5 Cs1 O4 Cs1 -87.68(15) 1_655 3_675
O14 Cs1 O4 Cs1 51.55(11) . 3_675
O14 Cs1 O4 Cs1 -52.23(11) 3_675 3_675
O3 Cs1 O4 Cs1 101.8(15) 2_655 3_675
O10 Cs1 O4 Cs1 -162.21(9) 1_655 3_675
O8 Cs1 O4 Cs1 117.14(11) 2_655 3_675
O2 Cs1 O4 Cs1 -132.49(12) 1_655 3_675
O4 Cs1 O4 Cs1 0.0 3_675 3_675
C17 Cs1 O4 Cs1 73.48(17) . 3_675
Fe2 C5 O5 Cs1 116(4) . 1_455
Fe2 C6 O6 Cs2 55(4) . 2_645
Fe3 C7 O7 Cs2 65(63) . .
O9 Cs2 O7 C7 82.3(5) 3_676 .
O10 Cs2 O7 C7 -133.0(5) 1_655 .
O13 Cs2 O7 C7 -46.6(4) . .
O8 Cs2 O7 C7 -74.1(5) 2_655 .
O6 Cs2 O7 C7 -152.3(4) 2_655 .
O11 Cs2 O7 C7 87.1(4) 3_676 .
O1 Cs2 O7 C7 139.8(4) 3_676 .
C13 Cs2 O7 C7 -26.6(4) . .
C9 Cs2 O7 C7 85.3(4) 3_676 .
Cs1 Cs2 O7 C7 -84.9(4) . .
Fe3 C8 O8 Cs2 -175(4) . 2_645
Fe3 C8 O8 Cs1 50(4) . 2_645
Fe3 C9 O9 Cs2 116(5) . 3_676
Fe4 C10 O10 Cs2 -94(4) . 1_455
Fe4 C10 O10 Cs1 97(4) . 1_455
Fe4 C11 O11 Cs2 121(8) . 3_676
Fe4 C13 O13 Cs1 -127.8(6) . .
Fe3 C13 O13 Cs1 110.6(7) . .
Fe2 C13 O13 Cs1 -6.1(12) . .
Cs2 C13 O13 Cs1 174.1(9) . .
Fe4 C13 O13 Cs2 58.1(6) . .
Fe3 C13 O13 Cs2 -63.5(6) . .
Fe2 C13 O13 Cs2 179.8(4) . .
O5 Cs1 O13 C13 -113.7(8) 1_655 .
O14 Cs1 O13 C13 59.4(8) . .
O14 Cs1 O13 C13 -28.8(8) 3_675 .
O3 Cs1 O13 C13 172.5(7) 2_655 .
O10 Cs1 O13 C13 -145.5(8) 1_655 .
O8 Cs1 O13 C13 140.9(8) 2_655 .
O4 Cs1 O13 C13 -2.8(7) . .
O2 Cs1 O13 C13 -87.8(8) 1_655 .
O4 Cs1 O13 C13 56.0(8) 3_675 .
C17 Cs1 O13 C13 60.8(8) . .
Cs1 Cs1 O13 C13 18.4(8) 3_675 .
O5 Cs1 O13 Cs2 60.70(17) 1_655 .
O14 Cs1 O13 Cs2 -126.28(12) . .
O14 Cs1 O13 Cs2 145.60(11) 3_675 .
O3 Cs1 O13 Cs2 -13.11(16) 2_655 .
O10 Cs1 O13 Cs2 28.82(10) 1_655 .
O8 Cs1 O13 Cs2 -44.75(11) 2_655 .
O4 Cs1 O13 Cs2 171.51(17) . .
O2 Cs1 O13 Cs2 86.58(12) 1_655 .
O4 Cs1 O13 Cs2 -129.7(2) 3_675 .
C17 Cs1 O13 Cs2 -124.86(19) . .
Cs1 Cs1 O13 Cs2 -167.19(6) 3_675 .
O9 Cs2 O13 C13 -38.5(4) 3_676 .
O10 Cs2 O13 C13 145.3(4) 1_655 .
O8 Cs2 O13 C13 -133.6(4) 2_655 .
O7 Cs2 O13 C13 70.7(4) . .
O6 Cs2 O13 C13 -166.9(4) 2_655 .
O11 Cs2 O13 C13 30.3(4) 3_676 .
O1 Cs2 O13 C13 86.5(5) 3_676 .
C7 Cs2 O13 C13 52.7(4) . .
C9 Cs2 O13 C13 -20.2(4) 3_676 .
Cs1 Cs2 O13 C13 177.0(4) . .
O9 Cs2 O13 Cs1 144.47(15) 3_676 .
O10 Cs2 O13 Cs1 -31.70(11) 1_655 .
O8 Cs2 O13 Cs1 49.37(12) 2_655 .
O7 Cs2 O13 Cs1 -106.33(14) . .
O6 Cs2 O13 Cs1 16.06(16) 2_655 .
O11 Cs2 O13 Cs1 -146.75(12) 3_676 .
O1 Cs2 O13 Cs1 -90.5(3) 3_676 .
C7 Cs2 O13 Cs1 -124.33(18) . .
C13 Cs2 O13 Cs1 -177.0(4) . .
C9 Cs2 O13 Cs1 162.76(14) 3_676 .
O13 Cs1 O14 C14 125.6(5) . .
O5 Cs1 O14 C14 -63.7(6) 1_655 .
O14 Cs1 O14 C14 -116.3(5) 3_675 .
O3 Cs1 O14 C14 8.6(5) 2_655 .
O10 Cs1 O14 C14 71.9(6) 1_655 .
O8 Cs1 O14 C14 60.5(5) 2_655 .
O4 Cs1 O14 C14 -175.7(5) . .
O2 Cs1 O14 C14 178.1(5) 1_655 .
O4 Cs1 O14 C14 -56.3(5) 3_675 .
C17 Cs1 O14 C14 121.9(7) . .
Cs1 Cs1 O14 C14 -116.3(5) 3_675 .
O13 Cs1 O14 C17 3.7(5) . .
O5 Cs1 O14 C17 174.4(4) 1_655 .
O14 Cs1 O14 C17 121.8(5) 3_675 .
O3 Cs1 O14 C17 -113.3(5) 2_655 .
O10 Cs1 O14 C17 -50.0(6) 1_655 .
O8 Cs1 O14 C17 -61.4(5) 2_655 .
O4 Cs1 O14 C17 62.3(5) . .
O2 Cs1 O14 C17 56.2(5) 1_655 .
O4 Cs1 O14 C17 -178.2(5) 3_675 .
Cs1 Cs1 O14 C17 121.8(5) 3_675 .
O13 Cs1 O14 Cs1 -118.06(12) . 3_675
O5 Cs1 O14 Cs1 52.6(2) 1_655 3_675
O14 Cs1 O14 Cs1 0.0 3_675 3_675
O3 Cs1 O14 Cs1 124.94(13) 2_655 3_675
O10 Cs1 O14 Cs1 -171.79(17) 1_655 3_675
O8 Cs1 O14 Cs1 176.84(13) 2_655 3_675
O4 Cs1 O14 Cs1 -59.44(12) . 3_675
O2 Cs1 O14 Cs1 -65.6(2) 1_655 3_675
O4 Cs1 O14 Cs1 59.98(12) 3_675 3_675
C17 Cs1 O14 Cs1 -121.8(5) . 3_675
C17 O14 C14 C15 -16.2(10) . .
Cs1 O14 C14 C15 -138.5(7) . .
Cs1 O14 C14 C15 119.1(7) 3_675 .
O14 C14 C15 C16 17.7(12) . .
C14 C15 C16 C17 -12.0(12) . .
C14 O14 C17 C16 8.0(10) . .
Cs1 O14 C17 C16 134.1(6) . .
Cs1 O14 C17 C16 -124.1(6) 3_675 .
C14 O14 C17 Cs1 -126.1(6) . .
Cs1 O14 C17 Cs1 101.8(4) 3_675 .
C15 C16 C17 O14 2.6(11) . .
C15 C16 C17 Cs1 52.2(12) . .
O13 Cs1 C17 O14 -176.0(5) . .
O5 Cs1 C17 O14 -12.2(10) 1_655 .
O14 Cs1 C17 O14 -59.8(5) 3_675 .
O3 Cs1 C17 O14 76.1(5) 2_655 .
O10 Cs1 C17 O14 147.5(4) 1_655 .
O8 Cs1 C17 O14 114.2(5) 2_655 .
O4 Cs1 C17 O14 -106.8(5) . .
O2 Cs1 C17 O14 -138.6(4) 1_655 .
O4 Cs1 C17 O14 1.6(5) 3_675 .
Cs1 Cs1 C17 O14 -45.2(4) 3_675 .
O13 Cs1 C17 C16 111.9(8) . .
O5 Cs1 C17 C16 -84.4(10) 1_655 .
O14 Cs1 C17 C16 -72.2(8) . .
O14 Cs1 C17 C16 -132.0(8) 3_675 .
O3 Cs1 C17 C16 3.9(8) 2_655 .
O10 Cs1 C17 C16 75.4(8) 1_655 .
O8 Cs1 C17 C16 42.0(8) 2_655 .
O4 Cs1 C17 C16 -179.0(8) . .
O2 Cs1 C17 C16 149.2(7) 1_655 .
O4 Cs1 C17 C16 -70.6(8) 3_675 .
Cs1 Cs1 C17 C16 -117.4(8) 3_675 .
