#------------------------------------------------------------------------------
#$Date: 2016-11-08 20:50:33 +0100 (mar 08 de nov de 2016) $
#$Revision: 188168 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/08/7040852.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_7040852
loop_
_publ_author_name
'Lang, Georgette M.'
'Skaper, Dirk'
'Hampel, Frank'
'Gladysz, John A.'
_publ_section_title
;
 Synthesis, reactivity, structures, and dynamic properties of gyroscope
 like iron complexes with dibridgehead diphosphine cages: pre- vs.
 post-metathesis substitutions as routes to adducts with neutral dipolar
 Fe(CO)(NO)(X) rotors.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16190
_journal_page_last               16204
_journal_paper_doi               10.1039/c6dt03258c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C43 H84 Cl Fe N O2 P2'
_chemical_formula_sum            'C43 H84 Cl Fe N O2 P2'
_chemical_formula_weight         800.35
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-08-15 deposited with the CCDC.
2016-09-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 122.4590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.4367(4)
_cell_length_b                   13.8586(4)
_cell_length_c                   18.3518(5)
_cell_measurement_reflns_used    5268
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      0.909
_cell_measurement_theta_min      0.848
_cell_volume                     4600.3(2)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0218
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9763
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         2.37
_exptl_absorpt_coefficient_mu    0.489
_exptl_absorpt_correction_T_max  0.9086
_exptl_absorpt_correction_T_min  0.8476
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   Scalepack
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.975
_refine_diff_density_min         -1.014
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         5244
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.097
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0847P)²+7.0671P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1496
_refine_ls_wR_factor_ref         0.1612
_reflns_number_gt                4135
_reflns_number_total             5244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt03258c2.cif
_cod_data_source_block           ds02
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7040850--7040852.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7040852
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Fe1 Fe -1.0000 0.48534(4) -0.7500 0.03038(16) Uani 1 2 d SD
P1 P -0.87550(3) 0.48238(5) -0.66929(4) 0.02779(17) Uani 1 1 d .
C11 C -0.83442(14) 0.57252(19) -0.58297(16) 0.0342(5) Uani 1 1 d .
H11A H -0.7805 0.5610 -0.5464 0.041 Uiso 1 1 calc R
H11B H -0.8420 0.6373 -0.6092 0.041 Uiso 1 1 calc R
C12 C -0.86613(16) 0.5719(2) -0.52575(17) 0.0393(6) Uani 1 1 d .
H12A H -0.8559 0.5083 -0.4969 0.047 Uiso 1 1 calc R
H12B H -0.9205 0.5795 -0.5628 0.047 Uiso 1 1 calc R
C13 C -0.83502(16) 0.6509(2) -0.45690(17) 0.0424(6) Uani 1 1 d .
H13A H -0.8587 0.6458 -0.4233 0.051 Uiso 1 1 calc R
H13B H -0.7814 0.6398 -0.4167 0.051 Uiso 1 1 calc R
C14 C -0.84676(15) 0.7523(2) -0.49363(17) 0.0378(6) Uani 1 1 d .
H14A H -0.8960 0.7555 -0.5480 0.045 Uiso 1 1 calc R
H14B H -0.8092 0.7652 -0.5081 0.045 Uiso 1 1 calc R
C15 C -0.84198(16) 0.8317(2) -0.43282(19) 0.0432(6) Uani 1 1 d .
H15A H -0.7951 0.8239 -0.3762 0.052 Uiso 1 1 calc R
H15B H -0.8402 0.8950 -0.4566 0.052 Uiso 1 1 calc R
C16 C -0.90567(15) 0.8328(2) -0.41832(17) 0.0415(6) Uani 1 1 d .
H16A H -0.9060 0.7710 -0.3915 0.050 Uiso 1 1 calc R
H16B H -0.8973 0.8853 -0.3774 0.050 Uiso 1 1 calc R
C17 C -0.98054(15) 0.8472(2) -0.50094(17) 0.0399(6) Uani 1 1 d .
H17A H -0.9906 0.7919 -0.5400 0.048 Uiso 1 1 calc R
H17B H -0.9789 0.9063 -0.5302 0.048 Uiso 1 1 calc R
C18 C -1.04357(16) 0.8562(2) -0.48584(18) 0.0422(6) Uani 1 1 d .
H18A H -1.0329 0.9106 -0.4458 0.051 Uiso 1 1 calc R
H18B H -1.0458 0.7965 -0.4576 0.051 Uiso 1 1 calc R
C21 C -0.82984(14) 0.50479(19) -0.72801(16) 0.0330(5) Uani 1 1 d .
H21A H -0.7761 0.5121 -0.6857 0.040 Uiso 1 1 calc R
H21B H -0.8370 0.4478 -0.7643 0.040 Uiso 1 1 calc R
C22 C -0.85806(14) 0.59435(19) -0.78568(16) 0.0348(5) Uani 1 1 d .
H22A H -0.9109 0.5851 -0.8311 0.042 Uiso 1 1 calc R
H22B H -0.8543 0.6508 -0.7505 0.042 Uiso 1 1 calc R
C23 C -0.81491(15) 0.6151(2) -0.82841(17) 0.0387(6) Uani 1 1 d .
H23A H -0.8110 0.5549 -0.8547 0.046 Uiso 1 1 calc R
H23B H -0.7642 0.6356 -0.7835 0.046 Uiso 1 1 calc R
C24 C -0.85045(15) 0.6934(2) -0.89810(17) 0.0397(6) Uani 1 1 d .
H24A H -0.8216 0.6997 -0.9256 0.048 Uiso 1 1 calc R
H24B H -0.9010 0.6725 -0.9431 0.048 Uiso 1 1 calc R
C25 C -0.85499(15) 0.7917(2) -0.86470(17) 0.0398(6) Uani 1 1 d .
H25A H -0.8056 0.8084 -0.8143 0.048 Uiso 1 1 calc R
H25B H -0.8894 0.7874 -0.8445 0.048 Uiso 1 1 calc R
C26 C -0.88071(17) 0.8728(2) -0.93095(19) 0.0454(7) Uani 1 1 d .
H26A H -0.8434 0.8817 -0.9465 0.054 Uiso 1 1 calc R
H26B H -0.8828 0.9334 -0.9038 0.054 Uiso 1 1 calc R
C31 C -0.83652(13) 0.36812(19) -0.61399(15) 0.0341(5) Uani 1 1 d .
H31A H -0.7821 0.3712 -0.5846 0.041 Uiso 1 1 calc R
H31B H -0.8482 0.3598 -0.5690 0.041 Uiso 1 1 calc R
C32 C -0.86435(15) 0.28028(19) -0.67276(16) 0.0377(6) Uani 1 1 d .
H32A H -0.9188 0.2848 -0.7115 0.045 Uiso 1 1 calc R
H32B H -0.8432 0.2812 -0.7093 0.045 Uiso 1 1 calc R
C33 C -0.84500(13) 0.18479(19) -0.62484(15) 0.0329(5) Uani 1 1 d .
H33A H -0.7905 0.1779 -0.5890 0.039 Uiso 1 1 calc R
H33B H -0.8634 0.1851 -0.5855 0.039 Uiso 1 1 calc R
C34 C -0.87756(15) 0.09884(19) -0.68498(16) 0.0363(6) Uani 1 1 d .
H34A H -0.8569 0.0970 -0.7219 0.044 Uiso 1 1 calc R
H34B H -0.9316 0.1083 -0.7232 0.044 Uiso 1 1 calc R
C35 C -0.86342(17) 0.0019(2) -0.63983(18) 0.0408(6) Uani 1 1 d .
H35A H -0.8095 -0.0062 -0.5991 0.049 Uiso 1 1 calc R
H35B H -0.8867 0.0021 -0.6056 0.049 Uiso 1 1 calc R
C36 C -0.89268(18) -0.0836(2) -0.70090(19) 0.0476(7) Uani 1 1 d .
H36A H -0.8814 -0.1433 -0.6663 0.057 Uiso 1 1 calc R
H36B H -0.8658 -0.0872 -0.7310 0.057 Uiso 1 1 calc R
C37 C -0.97561(18) -0.0813(2) -0.76873(18) 0.0442(7) Uani 1 1 d .
H37A H -0.9885 -0.1382 -0.8069 0.053 Uiso 1 1 calc R
H37B H -0.9868 -0.0229 -0.8047 0.053 Uiso 1 1 calc R
Cl2 Cl -1.00365(18) 0.3986(3) -0.6415(2) 0.0408(5) Uani 0.33 1 d PD
Cl1 Cl -1.0000 0.6553(4) -0.7500 0.0408(5) Uani 0.33 2 d SPD
C10 C -1.0000 0.6053(4) -0.7500 0.0448(10) Uani 1 2 d SD
N20 N -1.0031(3) 0.4235(4) -0.6677(4) 0.0448(10) Uani 0.50 1 d PD
O10 O -0.9885(3) 0.6895(4) -0.7236(4) 0.087(2) Uani 0.50 1 d PD
O20 O -1.0034(5) 0.3938(7) -0.6194(5) 0.087(2) Uani 0.50 1 d PD
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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
C10 Fe1 N20 119.0(2) . 2_353
C10 Fe1 N20 119.0(2) . .
N20 Fe1 N20 122.0(4) 2_353 .
C10 Fe1 P1 91.04(2) . .
N20 Fe1 P1 88.7(2) 2_353 .
N20 Fe1 P1 90.2(2) . .
C10 Fe1 P1 91.04(2) . 2_353
N20 Fe1 P1 90.2(2) 2_353 2_353
N20 Fe1 P1 88.7(2) . 2_353
P1 Fe1 P1 177.91(4) . 2_353
C10 Fe1 Cl2 120.59(9) . .
N20 Fe1 Cl2 120.4(2) 2_353 .
N20 Fe1 Cl2 1.6(2) . .
P1 Fe1 Cl2 90.00(8) . .
P1 Fe1 Cl2 88.94(8) 2_353 .
C10 Fe1 Cl2 120.59(9) . 2_353
N20 Fe1 Cl2 1.6(2) 2_353 2_353
N20 Fe1 Cl2 120.4(2) . 2_353
P1 Fe1 Cl2 88.94(8) . 2_353
P1 Fe1 Cl2 90.00(8) 2_353 2_353
Cl2 Fe1 Cl2 118.81(18) . 2_353
C10 Fe1 Cl1 0.000(1) . .
N20 Fe1 Cl1 119.0(2) 2_353 .
N20 Fe1 Cl1 119.0(2) . .
P1 Fe1 Cl1 91.04(2) . .
P1 Fe1 Cl1 91.04(2) 2_353 .
Cl2 Fe1 Cl1 120.59(9) . .
Cl2 Fe1 Cl1 120.59(9) 2_353 .
C31 P1 C21 104.18(12) . .
C31 P1 C11 104.31(12) . .
C21 P1 C11 103.47(12) . .
C31 P1 Fe1 114.15(8) . .
C21 P1 Fe1 115.41(8) . .
C11 P1 Fe1 114.00(9) . .
C12 C11 P1 113.98(18) . .
C11 C12 C13 114.0(2) . .
C14 C13 C12 113.6(2) . .
C13 C14 C15 114.3(2) . .
C16 C15 C14 114.7(2) . .
C17 C16 C15 113.1(2) . .
C16 C17 C18 113.3(2) . .
C17 C18 C26 113.5(2) . 2_353
C22 C21 P1 114.03(17) . .
C23 C22 C21 112.6(2) . .
C22 C23 C24 113.3(2) . .
C25 C24 C23 114.2(2) . .
C24 C25 C26 114.4(2) . .
C25 C26 C18 114.8(2) . 2_353
C32 C31 P1 114.36(16) . .
C33 C32 C31 113.9(2) . .
C34 C33 C32 112.8(2) . .
C33 C34 C35 114.7(2) . .
C36 C35 C34 113.9(2) . .
C35 C36 C37 115.1(2) . .
C36 C37 C37 114.3(3) . 2_353
N20 Cl2 Fe1 4.8(7) . .
O10 Cl1 O10 81.6(14) . 2_353
O10 Cl1 C10 139.2(7) . .
O10 Cl1 C10 139.2(7) 2_353 .
O10 Cl1 Fe1 139.2(7) . .
O10 Cl1 Fe1 139.2(7) 2_353 .
C10 Cl1 Fe1 0.000(2) . .
Cl1 C10 O10 19.3(3) . .
Cl1 C10 O10 19.3(3) . 2_353
O10 C10 O10 38.7(7) . 2_353
Cl1 C10 Fe1 180.000(2) . .
O10 C10 Fe1 160.7(3) . .
O10 C10 Fe1 160.7(3) 2_353 .
Cl2 N20 O20 10.6(9) . .
Cl2 N20 Fe1 173.6(10) . .
O20 N20 Fe1 175.5(9) . .
Cl1 O10 O10 49.2(7) . 2_353
Cl1 O10 C10 21.5(4) . .
O10 O10 C10 70.7(3) 2_353 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C10 1.663(6) .
Fe1 N20 1.769(6) 2_353
Fe1 N20 1.769(6) .
Fe1 P1 2.2527(6) .
Fe1 P1 2.2527(6) 2_353
Fe1 Cl2 2.363(4) .
Fe1 Cl2 2.363(4) 2_353
Fe1 Cl1 2.356(6) .
P1 C31 1.824(3) .
P1 C21 1.830(3) .
P1 C11 1.830(3) .
C11 C12 1.527(4) .
C12 C13 1.528(4) .
C13 C14 1.521(4) .
C14 C15 1.531(4) .
C15 C16 1.525(4) .
C16 C17 1.517(4) .
C17 C18 1.523(4) .
C18 C26 1.536(4) 2_353
C21 C22 1.529(4) .
C22 C23 1.527(3) .
C23 C24 1.532(4) .
C24 C25 1.517(4) .
C25 C26 1.526(4) .
C26 C18 1.536(4) 2_353
C31 C32 1.520(4) .
C32 C33 1.518(3) .
C33 C34 1.516(4) .
C34 C35 1.521(4) .
C35 C36 1.516(4) .
C36 C37 1.528(5) .
C37 C37 1.529(6) 2_353
Cl2 N20 0.597(6) .
Cl1 O10 0.627(5) .
Cl1 O10 0.627(5) 2_353
Cl1 C10 0.692(4) .
C10 O10 1.237(6) .
C10 O10 1.237(6) 2_353
N20 O20 0.981(10) .
O10 O10 0.820(14) 2_353
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
C10 Fe1 P1 C31 160.67(9) . .
N20 Fe1 P1 C31 -80.4(2) 2_353 .
N20 Fe1 P1 C31 41.7(2) . .
P1 Fe1 P1 C31 -19.33(9) 2_353 .
Cl2 Fe1 P1 C31 40.07(13) . .
Cl2 Fe1 P1 C31 -78.75(13) 2_353 .
Cl1 Fe1 P1 C31 160.67(9) . .
C10 Fe1 P1 C21 -78.66(10) . .
N20 Fe1 P1 C21 40.3(2) 2_353 .
N20 Fe1 P1 C21 162.3(2) . .
P1 Fe1 P1 C21 101.34(10) 2_353 .
Cl2 Fe1 P1 C21 160.74(13) . .
Cl2 Fe1 P1 C21 41.92(13) 2_353 .
Cl1 Fe1 P1 C21 -78.66(10) . .
C10 Fe1 P1 C11 40.93(9) . .
N20 Fe1 P1 C11 159.9(2) 2_353 .
N20 Fe1 P1 C11 -78.1(2) . .
P1 Fe1 P1 C11 -139.07(10) 2_353 .
Cl2 Fe1 P1 C11 -79.67(13) . .
Cl2 Fe1 P1 C11 161.51(13) 2_353 .
Cl1 Fe1 P1 C11 40.93(9) . .
C31 P1 C11 C12 -73.7(2) . .
C21 P1 C11 C12 177.55(19) . .
Fe1 P1 C11 C12 51.4(2) . .
P1 C11 C12 C13 -176.69(19) . .
C11 C12 C13 C14 57.9(3) . .
C12 C13 C14 C15 159.4(2) . .
C13 C14 C15 C16 -69.5(3) . .
C14 C15 C16 C17 -59.9(3) . .
C15 C16 C17 C18 -175.5(2) . .
C16 C17 C18 C26 178.8(2) . 2_353
C31 P1 C21 C22 175.65(18) . .
C11 P1 C21 C22 -75.5(2) . .
Fe1 P1 C21 C22 49.7(2) . .
P1 C21 C22 C23 175.72(18) . .
C21 C22 C23 C24 170.0(2) . .
C22 C23 C24 C25 62.4(3) . .
C23 C24 C25 C26 172.3(2) . .
C24 C25 C26 C18 57.3(3) . 2_353
C21 P1 C31 C32 -73.4(2) . .
C11 P1 C31 C32 178.41(19) . .
Fe1 P1 C31 C32 53.4(2) . .
P1 C31 C32 C33 -167.54(19) . .
C31 C32 C33 C34 176.3(2) . .
C32 C33 C34 C35 -176.6(2) . .
C33 C34 C35 C36 -176.7(2) . .
C34 C35 C36 C37 -58.0(4) . .
C35 C36 C37 C37 -61.4(3) . 2_353
C10 Fe1 Cl2 N20 7(8) . .
N20 Fe1 Cl2 N20 -173(8) 2_353 .
P1 Fe1 Cl2 N20 99(8) . .
P1 Fe1 Cl2 N20 -83(8) 2_353 .
Cl2 Fe1 Cl2 N20 -173(8) 2_353 .
Cl1 Fe1 Cl2 N20 7(8) . .
C10 Fe1 Cl1 O10 0(100) . .
N20 Fe1 Cl1 O10 -147.4(12) 2_353 .
N20 Fe1 Cl1 O10 32.6(12) . .
P1 Fe1 Cl1 O10 -58.3(12) . .
P1 Fe1 Cl1 O10 121.7(12) 2_353 .
Cl2 Fe1 Cl1 O10 32.3(12) . .
Cl2 Fe1 Cl1 O10 -147.7(12) 2_353 .
C10 Fe1 Cl1 O10 0(100) . 2_353
N20 Fe1 Cl1 O10 32.6(12) 2_353 2_353
N20 Fe1 Cl1 O10 -147.4(12) . 2_353
P1 Fe1 Cl1 O10 121.7(12) . 2_353
P1 Fe1 Cl1 O10 -58.3(12) 2_353 2_353
Cl2 Fe1 Cl1 O10 -147.7(12) . 2_353
Cl2 Fe1 Cl1 O10 32.3(12) 2_353 2_353
N20 Fe1 Cl1 C10 0(100) 2_353 .
N20 Fe1 Cl1 C10 0(100) . .
P1 Fe1 Cl1 C10 0(100) . .
P1 Fe1 Cl1 C10 0(100) 2_353 .
Cl2 Fe1 Cl1 C10 0(100) . .
Cl2 Fe1 Cl1 C10 0(100) 2_353 .
O10 Cl1 C10 O10 179.999(6) 2_353 .
Fe1 Cl1 C10 O10 0(100) . .
O10 Cl1 C10 O10 180.001(6) . 2_353
Fe1 Cl1 C10 O10 0(100) . 2_353
O10 Cl1 C10 Fe1 0(100) . .
O10 Cl1 C10 Fe1 0(100) 2_353 .
N20 Fe1 C10 Cl1 0(100) 2_353 .
N20 Fe1 C10 Cl1 0(100) . .
P1 Fe1 C10 Cl1 0(100) . .
P1 Fe1 C10 Cl1 0(100) 2_353 .
Cl2 Fe1 C10 Cl1 0(100) . .
Cl2 Fe1 C10 Cl1 0(100) 2_353 .
N20 Fe1 C10 O10 -147.4(12) 2_353 .
N20 Fe1 C10 O10 32.6(12) . .
P1 Fe1 C10 O10 -58.3(12) . .
P1 Fe1 C10 O10 121.7(12) 2_353 .
Cl2 Fe1 C10 O10 32.3(12) . .
Cl2 Fe1 C10 O10 -147.7(12) 2_353 .
Cl1 Fe1 C10 O10 0(100) . .
N20 Fe1 C10 O10 32.6(12) 2_353 2_353
N20 Fe1 C10 O10 -147.4(12) . 2_353
P1 Fe1 C10 O10 121.7(12) . 2_353
P1 Fe1 C10 O10 -58.3(12) 2_353 2_353
Cl2 Fe1 C10 O10 -147.7(12) . 2_353
Cl2 Fe1 C10 O10 32.3(12) 2_353 2_353
Cl1 Fe1 C10 O10 0(100) . 2_353
Fe1 Cl2 N20 O20 -168(7) . .
C10 Fe1 N20 Cl2 -173(8) . .
N20 Fe1 N20 Cl2 7(8) 2_353 .
P1 Fe1 N20 Cl2 -81(8) . .
P1 Fe1 N20 Cl2 97(8) 2_353 .
Cl2 Fe1 N20 Cl2 8(9) 2_353 .
Cl1 Fe1 N20 Cl2 -173(8) . .
C10 Fe1 N20 O20 -21(11) . .
N20 Fe1 N20 O20 159(11) 2_353 .
P1 Fe1 N20 O20 71(11) . .
P1 Fe1 N20 O20 -111(11) 2_353 .
Cl2 Fe1 N20 O20 152(17) . .
Cl2 Fe1 N20 O20 160(11) 2_353 .
Cl1 Fe1 N20 O20 -21(11) . .
C10 Cl1 O10 O10 180.000(4) . 2_353
Fe1 Cl1 O10 O10 180.000(3) . 2_353
O10 Cl1 O10 C10 180.000(4) 2_353 .
Fe1 Cl1 O10 C10 0.000(3) . .
O10 C10 O10 Cl1 0.000(6) 2_353 .
Fe1 C10 O10 Cl1 180.000(6) . .
Cl1 C10 O10 O10 0.000(4) . 2_353
Fe1 C10 O10 O10 180.000(3) . 2_353
