#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:35:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179337 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/34/4323403.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_4323403
loop_
_publ_author_name
'Roland A. Fischer'
'Markus M. Schulte'
'Eberhardt Herdtweck'
'Mike R. Mattner'
_publ_contact_author
;
       Dr. Eberhardt Herdtweck
       Anorganisch-chemisches Institut der
       Technischen Universität München
       Lichtenbergstrasse 4
       D-85747 Garching bei München
;
_publ_contact_author_email       herdtwecke@vogon.anorg.chemie.tu-muenchen.de
_publ_contact_author_fax         ' 089 289 13473'
_publ_contact_author_phone       '089 289 13143'
_publ_section_title
;
 Reactions of Transition Metal Carbonyl Dianions with (Organo)gallium
 Chlorides: Anionic Gallium Complexes of Chromium, Iron, and Manganese.
 Structure of [PPN]2{[(CO)4Fe-Ga(CH3)-Fe(CO)4]}
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2010
_journal_page_last               2017
_journal_paper_doi               10.1021/ic9606183
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C81 H63 Fe2 Ga N2 O8 P4'
_chemical_formula_weight         1497.71
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 127.45(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.991(3)
_cell_length_b                   14.112(2)
_cell_length_c                   23.928(3)
_cell_measurement_reflns_used    1720
_cell_measurement_temperature    300(1)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      4.18
_cell_volume                     7235.5(19)
_computing_cell_refinement       'IPDS (STOE)'
_computing_data_collection       'IPDS (STOE)'
_computing_data_reduction        'IPDS (STOE)'
_computing_molecular_graphics    'PLATON PLUTON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR-92 (Giacovazzo, 1992)'
_diffrn_ambient_temperature      300(1)
_diffrn_measurement_device       'STOE IPDS image plate'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  'equatorial mounted graphite'
_diffrn_radiation_source         'Enraf-Nonius Mo rotating anode FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20061
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         4.18
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.912
_exptl_absorpt_correction_type   no
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       prism
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.042
_refine_ls_goodness_of_fit_all   0.959
_refine_ls_goodness_of_fit_obs   1.046
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         6171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.959
_refine_ls_restrained_S_obs      1.046
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_obs          0.0377
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0586P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0972
_refine_ls_wR_factor_obs         0.0872
_reflns_number_observed          4343
_reflns_number_total             6171
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9606183.cif
_cod_data_source_block           FISJ_3008
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0586P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0586P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7236(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4323403
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ga Ga 0.0000 0.37629(3) 0.2500 0.0633(2) Uani 1 d S .
C C 0.0000 0.2331(3) 0.2500 0.146(3) Uani 1 d S .
H1 H -0.0381 0.2104 0.2075 0.175 Uiso 0.50 calc PR .
H2 H 0.0032 0.2104 0.2899 0.175 Uiso 0.50 calc PR .
H3 H 0.0349 0.2104 0.2526 0.175 Uiso 0.50 calc PR .
Fe Fe 0.09397(2) 0.44131(3) 0.35497(2) 0.05908(14) Uani 1 d . .
C1 C 0.0507(2) 0.4032(3) 0.3827(2) 0.0865(10) Uani 1 d . .
O1 O 0.0244(2) 0.3755(3) 0.4042(2) 0.1402(13) Uani 1 d . .
C2 C 0.1604(2) 0.4739(3) 0.4373(2) 0.0859(11) Uani 1 d . .
O2 O 0.2050(2) 0.4934(3) 0.4933(2) 0.1311(12) Uani 1 d . .
C3 C 0.07922(14) 0.5506(2) 0.3119(2) 0.0666(8) Uani 1 d . .
O3 O 0.07332(12) 0.6236(2) 0.28664(15) 0.0945(8) Uani 1 d . .
C4 C 0.12773(15) 0.3563(2) 0.3348(2) 0.0700(8) Uani 1 d . .
O4 O 0.15176(13) 0.3003(2) 0.3226(2) 0.1073(9) Uani 1 d . .
P1 P 0.28304(3) 0.34270(5) 0.19973(4) 0.0462(2) Uani 1 d . .
C11 C 0.21632(12) 0.4113(2) 0.17541(14) 0.0505(6) Uani 1 d . .
C12 C 0.19310(15) 0.3994(2) 0.2126(2) 0.0619(8) Uani 1 d . .
C13 C 0.1393(2) 0.4452(3) 0.1923(2) 0.0803(10) Uani 1 d . .
C14 C 0.1089(2) 0.5039(3) 0.1355(2) 0.0869(11) Uani 1 d . .
C15 C 0.1313(2) 0.5176(3) 0.0985(2) 0.0820(11) Uani 1 d . .
C16 C 0.18498(15) 0.4714(2) 0.1174(2) 0.0658(8) Uani 1 d . .
C21 C 0.25515(12) 0.2440(2) 0.14111(15) 0.0541(7) Uani 1 d . .
C22 C 0.2759(2) 0.1537(2) 0.1658(2) 0.0667(8) Uani 1 d . .
C23 C 0.2558(2) 0.0791(3) 0.1178(3) 0.0886(13) Uani 1 d . .
C24 C 0.2158(2) 0.0966(4) 0.0472(3) 0.1002(15) Uani 1 d . .
C25 C 0.1960(3) 0.1847(5) 0.0233(3) 0.117(2) Uani 1 d . .
C26 C 0.2155(2) 0.2584(4) 0.0699(2) 0.0921(13) Uani 1 d . .
C31 C 0.33015(12) 0.4100(2) 0.18414(13) 0.0505(6) Uani 1 d . .
C32 C 0.33307(15) 0.5083(2) 0.1867(2) 0.0613(7) Uani 1 d . .
C33 C 0.3761(2) 0.5540(3) 0.1829(2) 0.0767(10) Uani 1 d . .
C34 C 0.4156(2) 0.5035(3) 0.1769(2) 0.0810(11) Uani 1 d . .
C35 C 0.4129(2) 0.4072(3) 0.1733(2) 0.0741(9) Uani 1 d . .
C36 C 0.36972(14) 0.3595(2) 0.1764(2) 0.0602(7) Uani 1 d . .
N N 0.32069(10) 0.3034(2) 0.27715(11) 0.0527(5) Uani 1 d . .
P2 P 0.37345(3) 0.33905(5) 0.35427(4) 0.0488(2) Uani 1 d . .
C41 C 0.44238(12) 0.2684(2) 0.39305(14) 0.0530(7) Uani 1 d . .
C42 C 0.4573(2) 0.2336(3) 0.3518(2) 0.0697(9) Uani 1 d . .
C43 C 0.5103(2) 0.1792(3) 0.3804(2) 0.0816(11) Uani 1 d . .
C44 C 0.5471(2) 0.1579(3) 0.4493(2) 0.0864(11) Uani 1 d . .
C45 C 0.5323(2) 0.1893(4) 0.4915(2) 0.112(2) Uani 1 d . .
C46 C 0.4799(2) 0.2448(3) 0.4633(2) 0.0913(12) Uani 1 d . .
C51 C 0.34862(13) 0.3233(2) 0.40804(15) 0.0545(7) Uani 1 d . .
C52 C 0.3088(2) 0.2487(3) 0.3933(2) 0.0710(9) Uani 1 d . .
C53 C 0.2938(2) 0.2275(3) 0.4371(2) 0.0879(11) Uani 1 d . .
C54 C 0.3180(2) 0.2807(4) 0.4960(2) 0.0895(12) Uani 1 d . .
C55 C 0.3563(2) 0.3551(4) 0.5109(2) 0.0903(13) Uani 1 d . .
C56 C 0.3715(2) 0.3771(3) 0.4666(2) 0.0735(9) Uani 1 d . .
C61 C 0.39474(13) 0.4609(2) 0.35934(14) 0.0535(7) Uani 1 d . .
C62 C 0.3518(2) 0.5311(2) 0.3436(2) 0.0672(8) Uani 1 d . .
C63 C 0.3640(2) 0.6248(3) 0.3415(2) 0.0846(11) Uani 1 d . .
C64 C 0.4195(2) 0.6501(3) 0.3552(2) 0.0834(11) Uani 1 d . .
C65 C 0.4624(2) 0.5828(3) 0.3711(2) 0.0804(10) Uani 1 d . .
C66 C 0.4506(2) 0.4886(3) 0.3741(2) 0.0686(8) Uani 1 d . .
H121 H 0.2125(12) 0.3625(18) 0.2485(15) 0.043(8) Uiso 1 d . .
H131 H 0.1267(19) 0.4409(26) 0.2198(22) 0.108(14) Uiso 1 d . .
H141 H 0.0716(21) 0.5360(30) 0.1199(25) 0.134(16) Uiso 1 d . .
H151 H 0.1114(18) 0.5521(26) 0.0619(21) 0.092(13) Uiso 1 d . .
H161 H 0.2000(12) 0.4787(18) 0.0949(14) 0.049(8) Uiso 1 d . .
H221 H 0.3030(14) 0.1407(19) 0.2135(17) 0.061(9) Uiso 1 d . .
H231 H 0.2692(16) 0.0226(27) 0.1359(19) 0.086(12) Uiso 1 d . .
H241 H 0.2021(20) 0.0415(32) 0.0177(24) 0.124(15) Uiso 1 d . .
H251 H 0.1646(24) 0.2001(33) -0.0278(28) 0.147(18) Uiso 1 d . .
H261 H 0.2057(19) 0.3058(26) 0.0563(21) 0.082(14) Uiso 1 d . .
H321 H 0.3067(12) 0.5415(18) 0.1940(14) 0.052(8) Uiso 1 d . .
H331 H 0.3766(15) 0.6185(25) 0.1844(18) 0.083(11) Uiso 1 d . .
H341 H 0.4480(16) 0.5353(24) 0.1806(18) 0.089(11) Uiso 1 d . .
H351 H 0.4391(17) 0.3698(26) 0.1682(20) 0.102(12) Uiso 1 d . .
H361 H 0.3662(12) 0.2927(19) 0.1732(14) 0.052(8) Uiso 1 d . .
H421 H 0.4316(16) 0.2471(22) 0.3078(19) 0.077(11) Uiso 1 d . .
H431 H 0.5205(18) 0.1600(26) 0.3523(21) 0.104(13) Uiso 1 d . .
H441 H 0.5834(19) 0.1241(26) 0.4731(21) 0.101(12) Uiso 1 d . .
H451 H 0.5541(21) 0.1690(29) 0.5382(24) 0.121(15) Uiso 1 d . .
H461 H 0.4677(16) 0.2589(25) 0.4903(18) 0.092(11) Uiso 1 d . .
H521 H 0.2922(14) 0.2139(21) 0.3514(17) 0.070(9) Uiso 1 d . .
H531 H 0.2679(20) 0.1722(30) 0.4266(22) 0.114(14) Uiso 1 d . .
H541 H 0.3071(17) 0.2617(25) 0.5252(20) 0.098(11) Uiso 1 d . .
H551 H 0.3704(17) 0.3922(27) 0.5455(21) 0.095(13) Uiso 1 d . .
H561 H 0.3930(12) 0.4247(19) 0.4741(14) 0.040(7) Uiso 1 d . .
H621 H 0.3146(13) 0.5111(19) 0.3344(14) 0.059(8) Uiso 1 d . .
H631 H 0.3372(18) 0.6633(27) 0.3303(21) 0.096(14) Uiso 1 d . .
H641 H 0.4246(17) 0.7086(26) 0.3493(19) 0.093(12) Uiso 1 d . .
H651 H 0.5024(17) 0.5986(24) 0.3831(19) 0.091(11) Uiso 1 d . .
H661 H 0.4791(15) 0.4419(22) 0.3878(17) 0.072(10) Uiso 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 0.0033 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'
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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
C Ga Fe 112.324(15) . . ?
C Ga Fe 112.324(15) . 2 ?
Fe Ga Fe 135.35(3) . 2 ?
Ga C H1 109.5 . . ?
Ga C H2 109.5 . . ?
H1 C H2 109.5 . . ?
Ga C H3 109.5 . . ?
H1 C H3 109.5 . . ?
H2 C H3 109.5 . . ?
C2 Fe C1 96.8(2) . . ?
C2 Fe C4 98.2(2) . . ?
C1 Fe C4 118.5(2) . . ?
C2 Fe C3 98.2(2) . . ?
C1 Fe C3 121.9(2) . . ?
C4 Fe C3 114.24(15) . . ?
C2 Fe Ga 171.03(12) . . ?
C1 Fe Ga 75.86(13) . . ?
C4 Fe Ga 81.13(11) . . ?
C3 Fe Ga 90.18(11) . . ?
O1 C1 Fe 176.6(4) . . ?
O2 C2 Fe 178.1(4) . . ?
O3 C3 Fe 175.8(3) . . ?
O4 C4 Fe 178.3(3) . . ?
N P1 C21 108.13(13) . . ?
N P1 C31 113.44(12) . . ?
C21 P1 C31 105.20(12) . . ?
N P1 C11 111.86(12) . . ?
C21 P1 C11 107.71(12) . . ?
C31 P1 C11 110.11(13) . . ?
C12 C11 C16 118.7(3) . . ?
C12 C11 P1 119.0(2) . . ?
C16 C11 P1 122.1(2) . . ?
C11 C12 C13 120.7(3) . . ?
C11 C12 H121 118.8(17) . . ?
C13 C12 H121 120.5(17) . . ?
C14 C13 C12 120.2(4) . . ?
C14 C13 H131 120.1(25) . . ?
C12 C13 H131 119.4(26) . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H141 117.4(28) . . ?
C13 C14 H141 122.4(28) . . ?
C14 C15 C16 120.7(4) . . ?
C14 C15 H151 120.1(25) . . ?
C16 C15 H151 119.1(25) . . ?
C15 C16 C11 119.5(3) . . ?
C15 C16 H161 122.5(19) . . ?
C11 C16 H161 118.0(18) . . ?
C26 C21 C22 118.7(3) . . ?
C26 C21 P1 119.9(3) . . ?
C22 C21 P1 121.3(2) . . ?
C21 C22 C23 119.4(4) . . ?
C21 C22 H221 121.6(18) . . ?
C23 C22 H221 119.0(18) . . ?
C24 C23 C22 119.9(5) . . ?
C24 C23 H231 123.8(25) . . ?
C22 C23 H231 116.3(26) . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H241 124.3(27) . . ?
C23 C24 H241 115.1(27) . . ?
C24 C25 C26 120.0(5) . . ?
C24 C25 H251 123.2(29) . . ?
C26 C25 H251 116.7(29) . . ?
C21 C26 C25 121.4(5) . . ?
C21 C26 H261 119.8(34) . . ?
C25 C26 H261 118.8(34) . . ?
C36 C31 C32 119.4(3) . . ?
C36 C31 P1 117.1(2) . . ?
C32 C31 P1 123.1(2) . . ?
C33 C32 C31 119.4(3) . . ?
C33 C32 H321 122.4(16) . . ?
C31 C32 H321 118.1(16) . . ?
C34 C33 C32 120.5(3) . . ?
C34 C33 H331 122.3(21) . . ?
C32 C33 H331 117.2(21) . . ?
C33 C34 C35 120.9(3) . . ?
C33 C34 H341 119.0(21) . . ?
C35 C34 H341 119.6(21) . . ?
C34 C35 C36 119.7(4) . . ?
C34 C35 H351 123.1(22) . . ?
C36 C35 H351 117.2(22) . . ?
C35 C36 C31 119.9(3) . . ?
C35 C36 H361 121.7(16) . . ?
C31 C36 H361 118.3(15) . . ?
P1 N P2 137.8(2) . . ?
N P2 C51 109.57(13) . . ?
N P2 C41 110.01(13) . . ?
C51 P2 C41 106.44(13) . . ?
N P2 C61 114.14(12) . . ?
C51 P2 C61 108.39(13) . . ?
C41 P2 C61 107.99(13) . . ?
C42 C41 C46 118.4(3) . . ?
C42 C41 P2 119.7(2) . . ?
C46 C41 P2 121.9(2) . . ?
C41 C42 C43 120.9(3) . . ?
C41 C42 H421 115.6(21) . . ?
C43 C42 H421 123.5(22) . . ?
C44 C43 C42 120.1(3) . . ?
C44 C43 H431 120.7(25) . . ?
C42 C43 H431 119.1(25) . . ?
C43 C44 C45 120.3(3) . . ?
C43 C44 H441 126.5(24) . . ?
C45 C44 H441 113.2(24) . . ?
C44 C45 C46 119.7(4) . . ?
C44 C45 H451 121.9(25) . . ?
C46 C45 H451 118.1(26) . . ?
C41 C46 C45 120.6(4) . . ?
C41 C46 H461 120.0(23) . . ?
C45 C46 H461 118.9(23) . . ?
C56 C51 C52 118.7(3) . . ?
C56 C51 P2 122.2(3) . . ?
C52 C51 P2 118.8(2) . . ?
C53 C52 C51 121.1(4) . . ?
C53 C52 H521 121.9(19) . . ?
C51 C52 H521 117.1(18) . . ?
C54 C53 C52 119.5(4) . . ?
C54 C53 H531 121.8(24) . . ?
C52 C53 H531 118.6(25) . . ?
C55 C54 C53 120.6(4) . . ?
C55 C54 H541 123.4(23) . . ?
C53 C54 H541 116.0(23) . . ?
C54 C55 C56 120.1(4) . . ?
C54 C55 H551 123.6(26) . . ?
C56 C55 H551 116.1(26) . . ?
C51 C56 C55 120.0(4) . . ?
C51 C56 H561 119.4(19) . . ?
C55 C56 H561 120.5(19) . . ?
C66 C61 C62 118.0(3) . . ?
C66 C61 P2 122.9(2) . . ?
C62 C61 P2 119.0(2) . . ?
C63 C62 C61 121.2(3) . . ?
C63 C62 H621 122.1(17) . . ?
C61 C62 H621 116.7(17) . . ?
C62 C63 C64 119.5(4) . . ?
C62 C63 H631 118.4(28) . . ?
C64 C63 H631 122.1(28) . . ?
C65 C64 C63 120.3(4) . . ?
C65 C64 H641 121.4(25) . . ?
C63 C64 H641 118.0(25) . . ?
C64 C65 C66 120.3(3) . . ?
C64 C65 H651 122.2(21) . . ?
C66 C65 H651 117.4(21) . . ?
C65 C66 C61 120.6(3) . . ?
C65 C66 H661 123.2(20) . . ?
C61 C66 H661 116.1(20) . . ?
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
Ga C 2.021(5) . ?
Ga Fe 2.4158(6) . ?
Ga Fe 2.4159(6) 2 ?
C H1 0.96 . ?
C H2 0.96 . ?
C H3 0.96 . ?
Fe C2 1.736(4) . ?
Fe C1 1.742(4) . ?
Fe C4 1.743(4) . ?
Fe C3 1.761(4) . ?
C1 O1 1.170(4) . ?
C2 O2 1.165(4) . ?
C3 O3 1.155(4) . ?
C4 O4 1.167(4) . ?
P1 N 1.576(2) . ?
P1 C21 1.786(3) . ?
P1 C31 1.798(3) . ?
P1 C11 1.801(3) . ?
C11 C12 1.375(4) . ?
C11 C16 1.391(4) . ?
C12 C13 1.381(4) . ?
C12 H121 0.86(3) . ?
C13 C14 1.360(5) . ?
C13 H131 0.91(4) . ?
C14 C15 1.357(5) . ?
C14 H141 0.95(4) . ?
C15 C16 1.391(5) . ?
C15 H151 0.85(4) . ?
C16 H161 0.85(3) . ?
C21 C26 1.368(5) . ?
C21 C22 1.373(4) . ?
C22 C23 1.401(5) . ?
C22 H221 0.93(3) . ?
C23 C24 1.364(6) . ?
C23 H231 0.87(4) . ?
C24 C25 1.336(7) . ?
C24 H241 0.96(5) . ?
C25 C26 1.375(6) . ?
C25 H251 1.00(5) . ?
C26 H261 0.72(3) . ?
C31 C36 1.386(4) . ?
C31 C32 1.390(4) . ?
C32 C33 1.379(4) . ?
C32 H321 0.95(3) . ?
C33 C34 1.359(5) . ?
C33 H331 0.91(3) . ?
C34 C35 1.362(5) . ?
C34 H341 0.94(3) . ?
C35 C36 1.385(4) . ?
C35 H351 0.95(4) . ?
C36 H361 0.95(3) . ?
N P2 1.578(2) . ?
P2 C51 1.789(3) . ?
P2 C41 1.794(3) . ?
P2 C61 1.794(3) . ?
C41 C42 1.364(4) . ?
C41 C46 1.376(4) . ?
C42 C43 1.382(4) . ?
C42 H421 0.86(3) . ?
C43 C44 1.343(5) . ?
C43 H431 0.91(4) . ?
C44 C45 1.367(5) . ?
C44 H441 0.91(4) . ?
C45 C46 1.381(5) . ?
C45 H451 0.94(4) . ?
C46 H461 0.91(3) . ?
C51 C56 1.366(4) . ?
C51 C52 1.387(4) . ?
C52 C53 1.366(5) . ?
C52 H521 0.95(3) . ?
C53 C54 1.362(6) . ?
C53 H531 0.97(4) . ?
C54 C55 1.359(6) . ?
C54 H541 0.95(4) . ?
C55 C56 1.388(5) . ?
C55 H551 0.85(4) . ?
C56 H561 0.83(2) . ?
C61 C66 1.380(4) . ?
C61 C62 1.390(4) . ?
C62 C63 1.371(5) . ?
C62 H621 0.93(3) . ?
C63 C64 1.373(5) . ?
C63 H631 0.81(4) . ?
C64 C65 1.360(5) . ?
C64 H641 0.86(3) . ?
C65 C66 1.379(5) . ?
C65 H651 0.96(3) . ?
C66 H661 0.91(3) . ?
