#------------------------------------------------------------------------------ #$Date: 2013-12-28 15:58:47 +0200 (Sat, 28 Dec 2013) $ #$Revision: 91933 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/01/32/2013283.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_2013283 loop_ _publ_author_name 'Cetina, Mario' 'Juki\'c, Marijana' 'Rapi\'c, Vladimir' 'Golobi\2\s(I) _[local]_cod_data_source_file gd1249.cif _[local]_cod_data_source_block I _[local]_cod_cif_authors_sg_H-M 'C 2/c' _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic' according to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana ; _cod_database_code 2013283 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_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Fe 0.125946(12) 0.24707(7) 0.84995(3) 0.03629(19) Uani d . 1 . . Fe O1 0.03032(8) 0.3410(5) 0.6250(3) 0.0740(9) Uani d . 1 . . O O2 0.05414(8) 0.6812(5) 0.6784(2) 0.0573(6) Uani d . 1 . . O O3 0.22026(8) 0.1719(5) 1.0947(2) 0.0634(7) Uani d . 1 . . O O4 0.19679(7) 0.5233(4) 1.06339(19) 0.0506(6) Uani d . 1 . . O C1 0.10225(10) 0.3876(6) 0.7083(2) 0.0430(7) Uani d . 1 . . C C2 0.13730(11) 0.5165(6) 0.7657(3) 0.0480(8) Uani d . 1 . . C H2 0.1369 0.6666 0.7844 0.058 Uiso calc R 1 . . H C3 0.17257(11) 0.3715(7) 0.7884(3) 0.0526(9) Uani d . 1 . . C H3 0.1995 0.4108 0.8255 0.063 Uiso calc R 1 . . H C4 0.16048(11) 0.1594(8) 0.7460(3) 0.0544(9) Uani d . 1 . . C H4 0.1781 0.0357 0.7498 0.065 Uiso calc R 1 . . H C5 0.11695(11) 0.1648(7) 0.6966(2) 0.0482(8) Uani d . 1 . . C H5 0.1009 0.0460 0.6627 0.058 Uiso calc R 1 . . H C6 0.07851(11) 0.2361(6) 0.9259(3) 0.0528(9) Uani d . 1 . . C H6 0.0508 0.2833 0.9005 0.063 Uiso calc R 1 . . H C7 0.11218(10) 0.3699(6) 0.9801(2) 0.0463(8) Uani d . 1 . . C H7 0.1106 0.5211 0.9960 0.056 Uiso calc R 1 . . H C8 0.14913(11) 0.2333(5) 1.0066(2) 0.0423(7) Uani d . 1 . . C C9 0.13774(10) 0.0146(6) 0.9664(2) 0.0461(7) Uani d . 1 . . C H9 0.1557 -0.1080 0.9719 0.055 Uiso calc R 1 . . H C10 0.09411(11) 0.0167(6) 0.9166(3) 0.0502(8) Uani d . 1 . . C H10 0.0785 -0.1043 0.8836 0.060 Uiso calc R 1 . . H C11 0.05887(11) 0.4610(6) 0.6672(2) 0.0482(8) Uani d . 1 . . C C12 0.01300(14) 0.7711(7) 0.6289(4) 0.0707(12) Uani d . 1 . . C H12A 0.0071 0.7439 0.5558 0.106 Uiso calc R 1 . . H H12B 0.0127 0.9296 0.6413 0.106 Uiso calc R 1 . . H H12C -0.0080 0.6993 0.6568 0.106 Uiso calc R 1 . . H C13 0.19216(10) 0.3002(6) 1.0585(2) 0.0438(7) Uani d . 1 . . C C14 0.23824(11) 0.6031(7) 1.1163(3) 0.0571(9) Uani d . 1 . . C H14A 0.2449 0.5521 1.1867 0.086 Uiso calc R 1 . . H H14B 0.2386 0.7641 1.1150 0.086 Uiso calc R 1 . . H H14C 0.2587 0.5460 1.0822 0.086 Uiso calc R 1 . . H 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 0.0360(3) 0.0447(3) 0.0284(3) 0.00034(17) 0.00845(18) 0.00120(17) O1 0.0600(16) 0.0634(17) 0.082(2) -0.0046(15) -0.0133(15) -0.0035(16) O2 0.0546(14) 0.0571(14) 0.0554(15) 0.0036(12) 0.0043(12) 0.0007(13) O3 0.0527(15) 0.0531(14) 0.0737(19) 0.0027(13) -0.0050(13) 0.0070(14) O4 0.0508(13) 0.0456(13) 0.0497(14) 0.0013(10) 0.0017(10) -0.0037(10) C1 0.0490(17) 0.0505(18) 0.0292(14) -0.0019(14) 0.0091(13) 0.0041(13) C2 0.0532(18) 0.0527(19) 0.0390(17) -0.0073(15) 0.0130(14) 0.0035(14) C3 0.0433(17) 0.073(3) 0.0444(18) -0.0070(17) 0.0156(14) 0.0074(18) C4 0.0533(19) 0.072(2) 0.0440(19) 0.0131(18) 0.0238(16) 0.0025(18) C5 0.0565(19) 0.0569(19) 0.0312(16) -0.0015(17) 0.0110(14) -0.0045(15) C6 0.0382(16) 0.082(3) 0.0417(18) -0.0018(16) 0.0166(14) 0.0074(17) C7 0.0505(18) 0.057(2) 0.0354(16) 0.0034(15) 0.0186(14) 0.0017(15) C8 0.0466(17) 0.056(2) 0.0246(14) 0.0004(14) 0.0085(13) 0.0062(12) C9 0.0517(18) 0.0449(17) 0.0412(17) 0.0003(14) 0.0106(14) 0.0094(14) C10 0.0500(18) 0.056(2) 0.0445(18) -0.0102(15) 0.0110(15) 0.0056(15) C11 0.0560(19) 0.054(2) 0.0328(16) -0.0023(16) 0.0075(14) 0.0016(14) C12 0.064(2) 0.066(3) 0.075(3) 0.0168(19) 0.003(2) 0.003(2) C13 0.0458(17) 0.0532(18) 0.0318(15) 0.0002(14) 0.0086(13) 0.0037(14) C14 0.0539(19) 0.058(2) 0.055(2) -0.0058(17) 0.0048(16) -0.0073(17) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Fe C7 . 2.035(3) no Fe C1 . 2.038(3) no Fe C8 . 2.041(3) no Fe C3 . 2.044(3) no Fe C9 . 2.047(3) no Fe C2 . 2.046(3) no Fe C5 . 2.054(3) no Fe C10 . 2.055(3) no Fe C6 . 2.055(3) no Fe C4 . 2.061(3) no O1 C11 . 1.202(4) yes O2 C11 . 1.335(5) yes O2 C12 . 1.449(5) yes O3 C13 . 1.203(4) yes O4 C13 . 1.339(4) yes O4 C14 . 1.447(4) yes C1 C5 . 1.434(5) no C1 C2 . 1.436(5) no C1 C11 . 1.458(5) yes C2 C3 . 1.414(5) no C2 H2 . 0.93 no C3 C4 . 1.402(6) no C3 H3 . 0.93 no C4 C5 . 1.416(5) no C4 H4 . 0.93 no C5 H5 . 0.93 no C6 C7 . 1.408(5) no C6 C10 . 1.421(5) no C6 H6 . 0.93 no C7 C8 . 1.429(5) no C7 H7 . 0.93 no C8 C9 . 1.424(5) no C8 C13 . 1.464(5) yes C9 C10 . 1.420(5) no C9 H9 . 0.93 no C10 H10 . 0.93 no C12 H12A . 0.96 no C12 H12B . 0.96 no C12 H12C . 0.96 no C14 H14A . 0.96 no C14 H14B . 0.96 no C14 H14C . 0.96 no 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' Fe Fe 0.3463 0.8444 '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' 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 C7 Fe C1 121.99(13) no C7 Fe C8 41.04(13) no C1 Fe C8 157.87(13) no C7 Fe C3 123.87(15) no C1 Fe C3 68.24(13) no C8 Fe C3 107.45(14) no C7 Fe C9 68.64(14) no C1 Fe C9 160.04(14) no C8 Fe C9 40.77(13) no C3 Fe C9 122.09(14) no C7 Fe C2 107.16(14) no C1 Fe C2 41.16(13) no C8 Fe C2 121.45(13) no C3 Fe C2 40.46(15) no C9 Fe C2 157.33(14) no C7 Fe C5 158.24(14) no C1 Fe C5 41.03(15) no C8 Fe C5 159.41(14) no C3 Fe C5 67.90(15) no C9 Fe C5 123.28(15) no C2 Fe C5 68.95(15) no C7 Fe C10 68.17(15) no C1 Fe C10 123.93(13) no C8 Fe C10 68.33(14) no C3 Fe C10 157.83(15) no C9 Fe C10 40.52(13) no C2 Fe C10 160.51(14) no C5 Fe C10 107.96(15) no C7 Fe C6 40.26(14) no C1 Fe C6 108.01(14) no C8 Fe C6 68.26(14) no C3 Fe C6 160.17(16) no C9 Fe C6 68.17(14) no C2 Fe C6 123.91(15) no C5 Fe C6 122.95(15) no C10 Fe C6 40.45(15) no C7 Fe C4 159.89(15) no C1 Fe C4 68.11(14) no C8 Fe C4 123.43(14) no C3 Fe C4 39.93(17) no C9 Fe C4 107.86(15) no C2 Fe C4 68.00(16) no C5 Fe C4 40.26(14) no C10 Fe C4 122.88(16) no C6 Fe C4 158.57(17) no C11 O2 C12 115.7(3) yes C13 O4 C14 115.6(3) yes C5 C1 C2 107.9(3) no C5 C1 C11 124.0(3) yes C2 C1 C11 128.1(3) yes C5 C1 Fe 70.08(17) no C2 C1 Fe 69.74(18) no C11 C1 Fe 125.8(2) no C3 C2 C1 106.9(3) no C3 C2 Fe 69.7(2) no C1 C2 Fe 69.10(18) no C3 C2 H2 126.6 no C1 C2 H2 126.6 no Fe C2 H2 126.2 no C4 C3 C2 109.3(3) no C4 C3 Fe 70.70(19) no C2 C3 Fe 69.86(19) no C4 C3 H3 125.4 no C2 C3 H3 125.4 no Fe C3 H3 125.7 no C3 C4 C5 108.6(3) no C3 C4 Fe 69.37(19) no C5 C4 Fe 69.58(19) no C3 C4 H4 125.7 no C5 C4 H4 125.7 no Fe C4 H4 126.9 no C4 C5 C1 107.3(3) no C4 C5 Fe 70.15(19) no C1 C5 Fe 68.88(17) no C4 C5 H5 126.4 no C1 C5 H5 126.4 no Fe C5 H5 126.2 no C7 C6 C10 108.3(3) no C7 C6 Fe 69.12(18) no C10 C6 Fe 69.76(19) no C7 C6 H6 125.9 no C10 C6 H6 125.9 no Fe C6 H6 126.8 no C6 C7 C8 108.2(3) no C6 C7 Fe 70.6(2) no C8 C7 Fe 69.70(18) no C6 C7 H7 125.9 no C8 C7 H7 125.9 no Fe C7 H7 125.4 no C9 C8 C7 107.5(3) no C9 C8 C13 124.0(3) yes C7 C8 C13 128.3(3) yes C9 C8 Fe 69.81(18) no C7 C8 Fe 69.26(18) no C13 C8 Fe 123.1(2) no C10 C9 C8 107.9(3) no C10 C9 Fe 70.05(19) no C8 C9 Fe 69.41(18) no C10 C9 H9 126.0 no C8 C9 H9 126.0 no Fe C9 H9 126.1 no C9 C10 C6 108.0(3) no C9 C10 Fe 69.44(18) no C6 C10 Fe 69.79(19) no C9 C10 H10 126.0 no C6 C10 H10 126.0 no Fe C10 H10 126.4 no O1 C11 O2 122.7(3) yes O1 C11 C1 124.8(3) yes O2 C11 C1 112.5(3) yes O2 C12 H12A 109.5 no O2 C12 H12B 109.5 no H12A C12 H12B 109.5 no O2 C12 H12C 109.5 no H12A C12 H12C 109.5 no H12B C12 H12C 109.5 no O3 C13 O4 123.1(3) yes O3 C13 C8 124.7(3) yes O4 C13 C8 112.2(3) yes O4 C14 H14A 109.5 no O4 C14 H14B 109.5 no H14A C14 H14B 109.5 no O4 C14 H14C 109.5 no H14A C14 H14C 109.5 no H14B C14 H14C 109.5 no loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag C12 H12A O1 5_566 0.96 2.47 3.401(6) 162 yes C12 H12B O1 1_565 0.96 2.54 3.447(5) 157 yes C14 H14B O3 1_565 0.96 2.50 3.442(5) 166 yes 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 C7 Fe C1 C5 -161.8(2) no C8 Fe C1 C5 163.7(3) no C3 Fe C1 C5 80.9(2) no C9 Fe C1 C5 -44.3(5) no C2 Fe C1 C5 118.9(3) no C10 Fe C1 C5 -78.1(2) no C6 Fe C1 C5 -119.8(2) no C4 Fe C1 C5 37.7(2) no C7 Fe C1 C2 79.3(2) no C8 Fe C1 C2 44.9(4) no C3 Fe C1 C2 -38.0(2) no C9 Fe C1 C2 -163.2(4) no C5 Fe C1 C2 -118.9(3) no C10 Fe C1 C2 163.1(2) no C6 Fe C1 C2 121.3(2) no C4 Fe C1 C2 -81.2(2) no C7 Fe C1 C11 -43.7(3) no C8 Fe C1 C11 -78.1(5) no C3 Fe C1 C11 -160.9(3) no C9 Fe C1 C11 73.8(5) no C2 Fe C1 C11 -123.0(4) no C5 Fe C1 C11 118.2(4) no C10 Fe C1 C11 40.1(4) no C6 Fe C1 C11 -1.7(3) no C4 Fe C1 C11 155.9(3) no C5 C1 C2 C3 -0.2(3) no C11 C1 C2 C3 179.9(3) no Fe C1 C2 C3 59.7(2) no C5 C1 C2 Fe -59.9(2) no C11 C1 C2 Fe 120.2(3) no C7 Fe C2 C3 122.5(2) no C1 Fe C2 C3 -118.2(3) no C8 Fe C2 C3 79.9(2) no C9 Fe C2 C3 46.9(5) no C5 Fe C2 C3 -80.2(2) no C10 Fe C2 C3 -164.6(4) no C6 Fe C2 C3 163.5(2) no C4 Fe C2 C3 -36.8(2) no C7 Fe C2 C1 -119.3(2) no C8 Fe C2 C1 -161.85(19) no C3 Fe C2 C1 118.2(3) no C9 Fe C2 C1 165.2(3) no C5 Fe C2 C1 38.03(19) no C10 Fe C2 C1 -46.4(5) no C6 Fe C2 C1 -78.3(2) no C4 Fe C2 C1 81.4(2) no C1 C2 C3 C4 0.6(4) no Fe C2 C3 C4 59.9(2) no C1 C2 C3 Fe -59.3(2) no C7 Fe C3 C4 163.8(2) no C1 Fe C3 C4 -81.5(2) no C8 Fe C3 C4 121.6(2) no C9 Fe C3 C4 79.3(2) no C2 Fe C3 C4 -120.1(3) no C5 Fe C3 C4 -37.1(2) no C10 Fe C3 C4 46.4(5) no C6 Fe C3 C4 -164.2(4) no C7 Fe C3 C2 -76.1(2) no C1 Fe C3 C2 38.6(2) no C8 Fe C3 C2 -118.3(2) no C9 Fe C3 C2 -160.6(2) no C5 Fe C3 C2 83.0(2) no C10 Fe C3 C2 166.4(3) no C6 Fe C3 C2 -44.2(5) no C4 Fe C3 C2 120.1(3) no C2 C3 C4 C5 -0.7(4) no Fe C3 C4 C5 58.7(2) no C2 C3 C4 Fe -59.4(2) no C7 Fe C4 C3 -42.5(6) no C1 Fe C4 C3 81.8(2) no C8 Fe C4 C3 -76.8(3) no C9 Fe C4 C3 -119.0(2) no C2 Fe C4 C3 37.3(2) no C5 Fe C4 C3 120.2(3) no C10 Fe C4 C3 -161.0(2) no C6 Fe C4 C3 165.4(3) no C7 Fe C4 C5 -162.7(4) no C1 Fe C4 C5 -38.4(2) no C8 Fe C4 C5 163.0(2) no C3 Fe C4 C5 -120.2(3) no C9 Fe C4 C5 120.8(2) no C2 Fe C4 C5 -83.0(2) no C10 Fe C4 C5 78.7(3) no C6 Fe C4 C5 45.2(5) no C3 C4 C5 C1 0.6(4) no Fe C4 C5 C1 59.1(2) no C3 C4 C5 Fe -58.5(2) no C2 C1 C5 C4 -0.2(4) no C11 C1 C5 C4 179.7(3) no Fe C1 C5 C4 -59.9(2) no C2 C1 C5 Fe 59.7(2) no C11 C1 C5 Fe -120.4(3) no C7 Fe C5 C4 164.0(4) no C1 Fe C5 C4 118.6(3) no C8 Fe C5 C4 -44.0(5) no C3 Fe C5 C4 36.8(3) no C9 Fe C5 C4 -78.0(3) no C2 Fe C5 C4 80.4(3) no C10 Fe C5 C4 -120.0(3) no C6 Fe C5 C4 -162.0(2) no C7 Fe C5 C1 45.5(5) no C8 Fe C5 C1 -162.5(3) no C3 Fe C5 C1 -81.8(2) no C9 Fe C5 C1 163.42(19) no C2 Fe C5 C1 -38.14(19) no C10 Fe C5 C1 121.4(2) no C6 Fe C5 C1 79.4(2) no C4 Fe C5 C1 -118.6(3) no C1 Fe C6 C7 -118.6(2) no C8 Fe C6 C7 38.2(2) no C3 Fe C6 C7 -42.9(5) no C9 Fe C6 C7 82.3(2) no C2 Fe C6 C7 -75.9(2) no C5 Fe C6 C7 -161.3(2) no C10 Fe C6 C7 119.9(3) no C4 Fe C6 C7 165.6(4) no C7 Fe C6 C10 -119.9(3) no C1 Fe C6 C10 121.6(2) no C8 Fe C6 C10 -81.7(2) no C3 Fe C6 C10 -162.8(4) no C9 Fe C6 C10 -37.6(2) no C2 Fe C6 C10 164.2(2) no C5 Fe C6 C10 78.8(3) no C4 Fe C6 C10 45.7(5) no C10 C6 C7 C8 -0.9(4) no Fe C6 C7 C8 -59.8(2) no C10 C6 C7 Fe 58.9(2) no C1 Fe C7 C6 80.0(2) no C8 Fe C7 C6 -118.9(3) no C3 Fe C7 C6 163.9(2) no C9 Fe C7 C6 -81.0(2) no C2 Fe C7 C6 122.6(2) no C5 Fe C7 C6 46.5(5) no C10 Fe C7 C6 -37.3(2) no C4 Fe C7 C6 -164.7(4) no C1 Fe C7 C8 -161.08(18) no C3 Fe C7 C8 -77.2(2) no C9 Fe C7 C8 37.89(19) no C2 Fe C7 C8 -118.5(2) no C5 Fe C7 C8 165.4(4) no C10 Fe C7 C8 81.6(2) no C6 Fe C7 C8 118.9(3) no C4 Fe C7 C8 -45.8(5) no C6 C7 C8 C9 0.8(4) no Fe C7 C8 C9 -59.6(2) no C6 C7 C8 C13 176.7(3) no Fe C7 C8 C13 116.4(3) no C6 C7 C8 Fe 60.4(2) no C7 Fe C8 C9 118.9(3) no C1 Fe C8 C9 165.8(3) no C3 Fe C8 C9 -119.2(2) no C2 Fe C8 C9 -161.3(2) no C5 Fe C8 C9 -45.8(5) no C10 Fe C8 C9 37.6(2) no C6 Fe C8 C9 81.3(2) no C4 Fe C8 C9 -78.3(3) no C1 Fe C8 C7 46.9(4) no C3 Fe C8 C7 121.9(2) no C9 Fe C8 C7 -118.9(3) no C2 Fe C8 C7 79.9(2) no C5 Fe C8 C7 -164.6(4) no C10 Fe C8 C7 -81.2(2) no C6 Fe C8 C7 -37.5(2) no C4 Fe C8 C7 162.8(2) no C7 Fe C8 C13 -123.0(4) no C1 Fe C8 C13 -76.1(5) no C3 Fe C8 C13 -1.1(3) no C9 Fe C8 C13 118.2(4) no C2 Fe C8 C13 -43.1(3) no C5 Fe C8 C13 72.4(5) no C10 Fe C8 C13 155.8(3) no C6 Fe C8 C13 -160.5(3) no C4 Fe C8 C13 39.9(3) no C7 C8 C9 C10 -0.5(4) no C13 C8 C9 C10 -176.6(3) no Fe C8 C9 C10 -59.7(2) no C7 C8 C9 Fe 59.2(2) no C13 C8 C9 Fe -116.9(3) no C7 Fe C9 C10 81.0(2) no C1 Fe C9 C10 -45.1(5) no C8 Fe C9 C10 119.1(3) no C3 Fe C9 C10 -161.6(2) no C2 Fe C9 C10 164.4(3) no C5 Fe C9 C10 -78.4(2) no C6 Fe C9 C10 37.5(2) no C4 Fe C9 C10 -120.1(2) no C7 Fe C9 C8 -38.1(2) no C1 Fe C9 C8 -164.2(3) no C3 Fe C9 C8 79.3(2) no C2 Fe C9 C8 45.3(4) no C5 Fe C9 C8 162.5(2) no C10 Fe C9 C8 -119.1(3) no C6 Fe C9 C8 -81.6(2) no C4 Fe C9 C8 120.8(2) no C8 C9 C10 C6 0.0(4) no Fe C9 C10 C6 -59.3(2) no C8 C9 C10 Fe 59.3(2) no C7 C6 C10 C9 0.6(4) no Fe C6 C10 C9 59.1(2) no C7 C6 C10 Fe -58.6(2) no C7 Fe C10 C9 -82.2(2) no C1 Fe C10 C9 163.0(2) no C8 Fe C10 C9 -37.9(2) no C3 Fe C10 C9 45.2(5) no C2 Fe C10 C9 -161.9(4) no C5 Fe C10 C9 120.6(2) no C6 Fe C10 C9 -119.4(3) no C4 Fe C10 C9 78.8(2) no C7 Fe C10 C6 37.1(2) no C1 Fe C10 C6 -77.6(3) no C8 Fe C10 C6 81.5(2) no C3 Fe C10 C6 164.6(3) no C9 Fe C10 C6 119.4(3) no C2 Fe C10 C6 -42.6(5) no C5 Fe C10 C6 -120.1(2) no C4 Fe C10 C6 -161.9(2) no C12 O2 C11 O1 -4.8(6) no C12 O2 C11 C1 173.1(3) y C5 C1 C11 O1 4.8(5) no C2 C1 C11 O1 -175.3(4) no Fe C1 C11 O1 -84.1(4) no C5 C1 C11 O2 -173.1(3) no C2 C1 C11 O2 6.8(5) y Fe C1 C11 O2 98.1(3) no C14 O4 C13 O3 -0.4(5) no C14 O4 C13 C8 178.4(3) y C9 C8 C13 O3 -18.5(5) no C7 C8 C13 O3 166.2(4) y Fe C8 C13 O3 -105.2(4) no C9 C8 C13 O4 162.8(3) no C7 C8 C13 O4 -12.6(5) no Fe C8 C13 O4 76.0(4) no _cod_database_fobs_code 2013283 _journal_paper_doi 10.1107/S0108270103008503