#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:43:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178751 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/05/4100566.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_4100566
_journal_name_full               'Journal of the American Chemical Society'
_journal_year                    2005
_chemical_formula_moiety         'C40 H49 Fe N6, C18 H36 K N2 O6'
_chemical_formula_sum            'C58 H85 Fe K N8 O6'
_chemical_formula_weight         1085.29
_chemical_name_common            '[Fe(OEP)(2-MeIm)]K(222)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 94.371(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9232(1)
_cell_length_b                   19.6316(2)
_cell_length_c                   22.5922(3)
_cell_measurement_temperature    100(2)
_cell_volume                     5715.04(11)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.261
_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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100566
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe(1 Fe 0.37586(3) 0.258287(18) 0.278103(15) 0.02186(10) Uani 1 1 d . . .
N(1) N 0.46128(16) 0.33995(11) 0.24593(9) 0.0244(4) Uani 1 1 d . . .
N(2) N 0.24760(15) 0.32566(11) 0.27042(9) 0.0227(4) Uani 1 1 d . . .
N(3) N 0.29918(16) 0.21052(11) 0.34625(10) 0.0257(4) Uani 1 1 d . . .
N(4) N 0.51495(16) 0.22954(12) 0.32709(10) 0.0278(5) Uani 1 1 d . . .
C(a1 C 0.56681(19) 0.34264(14) 0.24397(12) 0.0279(5) Uani 1 1 d . . .
C(a2 C 0.42141(19) 0.38943(13) 0.20771(11) 0.0249(5) Uani 1 1 d . . .
C(a3 C 0.23647(19) 0.37913(13) 0.23155(11) 0.0234(5) Uani 1 1 d . . .
C(a4 C 0.15239(18) 0.31632(13) 0.29206(11) 0.0233(5) Uani 1 1 d . . .
C(a5 C 0.19647(19) 0.21523(13) 0.35702(11) 0.0244(5) Uani 1 1 d . . .
C(a6 C 0.3386(2) 0.15693(14) 0.37991(12) 0.0287(5) Uani 1 1 d . . .
C(a7 C 0.5257(2) 0.17542(15) 0.36536(13) 0.0325(6) Uani 1 1 d . . .
C(a8 C 0.6127(2) 0.25268(15) 0.31979(12) 0.0297(6) Uani 1 1 d . . .
C(b1 C 0.5948(2) 0.39333(15) 0.20131(12) 0.0308(6) Uani 1 1 d . . .
C(b2 C 0.5045(2) 0.42247(14) 0.17856(12) 0.0285(5) Uani 1 1 d . . .
C(b3 C 0.13024(19) 0.40436(13) 0.22789(11) 0.0248(5) Uani 1 1 d . . .
C(b4 C 0.07834(19) 0.36569(13) 0.26613(11) 0.0252(5) Uani 1 1 d . . .
C(b5 C 0.16954(19) 0.16217(14) 0.39798(11) 0.0267(5) Uani 1 1 d . . .
C(b6 C 0.2575(2) 0.12494(14) 0.41122(12) 0.0292(5) Uani 1 1 d . . .
C(b7 C 0.6348(2) 0.16349(17) 0.38278(14) 0.0380(7) Uani 1 1 d . . .
C(b8 C 0.6884(2) 0.21285(17) 0.35595(13) 0.0364(7) Uani 1 1 d . . .
C(m1 C 0.31660(19) 0.40713(13) 0.20118(11) 0.0250(5) Uani 1 1 d . . .
H(m1 H 0.2977 0.4419 0.1731 0.030 Uiso 1 1 calc R . .
C(m2 C 0.12930(18) 0.26518(13) 0.33193(11) 0.0238(5) Uani 1 1 d . . .
H(m2 H 0.0601 0.2641 0.3433 0.029 Uiso 1 1 calc R . .
C(m3 C 0.4437(2) 0.13967(15) 0.38725(13) 0.0323(6) Uani 1 1 d . . .
H(m3 H 0.4610 0.0996 0.4094 0.039 Uiso 1 1 calc R . .
C(m4 C 0.6365(2) 0.30404(15) 0.28005(12) 0.0302(6) Uani 1 1 d . . .
H(m4 H 0.7081 0.3136 0.2774 0.036 Uiso 1 1 calc R . .
C11 C 0.7035(2) 0.40709(19) 0.18467(15) 0.0435(8) Uani 1 1 d . . .
H11a H 0.7486 0.4175 0.2209 0.052 Uiso 1 1 calc R . .
H11b H 0.7032 0.4473 0.1582 0.052 Uiso 1 1 calc R . .
C12 C 0.7480(3) 0.3447(3) 0.15270(18) 0.0659(12) Uani 1 1 d . . .
H12a H 0.7587 0.3069 0.1809 0.099 Uiso 1 1 calc R . .
H12b H 0.8145 0.3570 0.1374 0.099 Uiso 1 1 calc R . .
H12c H 0.6990 0.3307 0.1197 0.099 Uiso 1 1 calc R . .
C21 C 0.4889(2) 0.47458(15) 0.13024(13) 0.0339(6) Uani 1 1 d . . .
H21a H 0.5518 0.5033 0.1298 0.041 Uiso 1 1 calc R . .
H21b H 0.4299 0.5044 0.1384 0.041 Uiso 1 1 calc R . .
C22 C 0.4673(3) 0.44125(19) 0.06962(14) 0.0484(8) Uani 1 1 d . . .
H22a H 0.5282 0.4150 0.0598 0.073 Uiso 1 1 calc R . .
H22b H 0.4523 0.4765 0.0395 0.073 Uiso 1 1 calc R . .
H22c H 0.4074 0.4107 0.0706 0.073 Uiso 1 1 calc R . .
C31 C 0.0865(2) 0.45903(14) 0.18680(13) 0.0313(6) Uani 1 1 d . . .
H31a H 0.1403 0.4941 0.1820 0.038 Uiso 1 1 calc R . .
H31b H 0.0274 0.4812 0.2045 0.038 Uiso 1 1 calc R . .
C32 C 0.0499(3) 0.42998(18) 0.12587(15) 0.0460(8) Uani 1 1 d . . .
H32a H 0.1085 0.4083 0.1081 0.069 Uiso 1 1 calc R . .
H32b H 0.0224 0.4669 0.1000 0.069 Uiso 1 1 calc R . .
H32c H -0.0047 0.3961 0.1304 0.069 Uiso 1 1 calc R . .
C41 C -0.03308(19) 0.37315(14) 0.28007(13) 0.0299(6) Uani 1 1 d . . .
H41a H -0.0599 0.3280 0.2910 0.036 Uiso 1 1 calc R . .
H41b H -0.0746 0.3887 0.2440 0.036 Uiso 1 1 calc R . .
C42 C -0.0476(2) 0.42286(17) 0.33003(16) 0.0420(7) Uani 1 1 d . . .
H42a H -0.0077 0.4074 0.3661 0.063 Uiso 1 1 calc R . .
H42b H -0.1213 0.4253 0.3373 0.063 Uiso 1 1 calc R . .
H42c H -0.0232 0.4681 0.3190 0.063 Uiso 1 1 calc R . .
C51 C 0.0657(2) 0.15378(14) 0.42328(12) 0.0295(5) Uani 1 1 d . . .
H51a H 0.0595 0.1064 0.4377 0.035 Uiso 1 1 calc R . .
H51b H 0.0102 0.1612 0.3913 0.035 Uiso 1 1 calc R . .
C52 C 0.0496(2) 0.20257(16) 0.47405(14) 0.0391(7) Uani 1 1 d . . .
H52a H 0.1020 0.1938 0.5068 0.059 Uiso 1 1 calc R . .
H52b H -0.0198 0.1957 0.4878 0.059 Uiso 1 1 calc R . .
H52c H 0.0562 0.2496 0.4603 0.059 Uiso 1 1 calc R . .
C61 C 0.2727(2) 0.06503(16) 0.45217(14) 0.0368(6) Uani 1 1 d . . .
H61a H 0.3228 0.0332 0.4360 0.044 Uiso 1 1 calc R . .
H61b H 0.2058 0.0407 0.4537 0.044 Uiso 1 1 calc R . .
C62 C 0.3118(4) 0.0850(2) 0.51402(17) 0.0621(11) Uani 1 1 d . . .
H62a H 0.3810 0.1052 0.5133 0.093 Uiso 1 1 calc R . .
H62b H 0.3156 0.0445 0.5395 0.093 Uiso 1 1 calc R . .
H62c H 0.2643 0.1182 0.5297 0.093 Uiso 1 1 calc R . .
C71 C 0.6770(2) 0.10680(19) 0.42312(16) 0.0472(8) Uani 1 1 d . . .
H71a H 0.6324 0.0661 0.4165 0.057 Uiso 1 1 calc R . .
H71b H 0.7475 0.0947 0.4123 0.057 Uiso 1 1 calc R . .
C72 C 0.6821(4) 0.1250(2) 0.48672(19) 0.0662(11) Uani 1 1 d . . .
H72a H 0.7266 0.1650 0.4938 0.099 Uiso 1 1 calc R . .
H72b H 0.7108 0.0866 0.5104 0.099 Uiso 1 1 calc R . .
H72c H 0.6121 0.1353 0.4982 0.099 Uiso 1 1 calc R . .
C81 C 0.8010(2) 0.22872(19) 0.36436(16) 0.0450(8) Uani 1 1 d . . .
H81a H 0.8274 0.2391 0.3253 0.054 Uiso 1 1 calc R . .
H81b H 0.8387 0.1883 0.3809 0.054 Uiso 1 1 calc R . .
C82 C 0.8224(2) 0.2880(2) 0.40519(18) 0.0557(10) Uani 1 1 d . . .
H82a H 0.7856 0.3283 0.3888 0.084 Uiso 1 1 calc R . .
H82b H 0.8972 0.2972 0.4092 0.084 Uiso 1 1 calc R . .
H82c H 0.7985 0.2774 0.4443 0.084 Uiso 1 1 calc R . .
N(5) N 0.36179(17) 0.18617(13) 0.21172(11) 0.0327(5) Uani 1 1 d . . .
C(1) C 0.3442(2) 0.18608(16) 0.15243(13) 0.0358(6) Uani 1 1 d . . .
N(6) N 0.33514(18) 0.12486(13) 0.12715(11) 0.0350(5) Uani 1 1 d . . .
C(2) C 0.3503(2) 0.08088(17) 0.17530(16) 0.0437(7) Uani 1 1 d . . .
H(2 H 0.3498 0.0326 0.1726 0.052 Uiso 1 1 calc R . .
C(3) C 0.3659(2) 0.11608(17) 0.22629(15) 0.0390(7) Uani 1 1 d . . .
H(3 H 0.3775 0.0973 0.2650 0.047 Uiso 1 1 calc R . .
C(4) C 0.3376(3) 0.24972(18) 0.11788(16) 0.0479(8) Uani 1 1 d . . .
H(4a H 0.4059 0.2716 0.1199 0.072 Uiso 1 1 calc R . .
H(4b H 0.2874 0.2804 0.1344 0.072 Uiso 1 1 calc R . .
H(4c H 0.3152 0.2395 0.0764 0.072 Uiso 1 1 calc R . .
K1 K 0.64350(4) 0.59507(3) 0.40075(3) 0.03163(14) Uani 1 1 d . . .
O1c O 0.47779(17) 0.49972(12) 0.38352(10) 0.0410(5) Uani 1 1 d . . .
O2c O 0.67350(17) 0.45916(12) 0.43852(10) 0.0415(5) Uani 1 1 d . . .
O3c O 0.71339(17) 0.62925(13) 0.28883(11) 0.0469(6) Uani 1 1 d . . .
O4c O 0.84829(17) 0.63373(17) 0.39341(12) 0.0617(8) Uani 1 1 d . . .
O5c O 0.5306(2) 0.71748(14) 0.39501(15) 0.0634(7) Uani 1 1 d . . .
O6c O 0.6100(2) 0.65739(13) 0.50426(12) 0.0602(7) Uani 1 1 d . . .
N1c N 0.4870(2) 0.61507(15) 0.29865(12) 0.0426(6) Uani 1 1 d . . .
N2c N 0.7923(2) 0.56574(18) 0.50205(11) 0.0482(7) Uani 1 1 d . . .
C1c C 0.4282(3) 0.5502(2) 0.28836(16) 0.0521(9) Uani 1 1 d . . .
H1ca H 0.3666 0.5593 0.2607 0.063 Uiso 1 1 calc R . .
H1cb H 0.4726 0.5174 0.2687 0.063 Uiso 1 1 calc R . .
C2c C 0.3939(3) 0.5187(2) 0.34169(17) 0.0524(9) Uani 1 1 d . . .
H2ca H 0.3481 0.5509 0.3610 0.063 Uiso 1 1 calc R . .
H2cb H 0.3526 0.4777 0.3304 0.063 Uiso 1 1 calc R . .
C3c C 0.5258(3) 0.43800(19) 0.37204(15) 0.0451(8) Uani 1 1 d . . .
H3ca H 0.5714 0.4437 0.3391 0.054 Uiso 1 1 calc R . .
H3cb H 0.4726 0.4033 0.3600 0.054 Uiso 1 1 calc R . .
C4c C 0.5881(3) 0.41517(18) 0.42657(18) 0.0499(8) Uani 1 1 d . . .
H4ca H 0.5442 0.4152 0.4606 0.060 Uiso 1 1 calc R . .
H4cb H 0.6131 0.3681 0.4210 0.060 Uiso 1 1 calc R . .
C5c C 0.7227(3) 0.4479(2) 0.49652(16) 0.0536(9) Uani 1 1 d . . .
H5ca H 0.7442 0.3997 0.5008 0.064 Uiso 1 1 calc R . .
H5cb H 0.6733 0.4579 0.5268 0.064 Uiso 1 1 calc R . .
C6c C 0.8149(3) 0.4929(2) 0.50575(16) 0.0562(10) Uani 1 1 d . . .
H6ca H 0.8500 0.4831 0.5453 0.067 Uiso 1 1 calc R . .
H6cb H 0.8640 0.4815 0.4757 0.067 Uiso 1 1 calc R . .
C7c C 0.5413(3) 0.6291(2) 0.24544(15) 0.0469(8) Uani 1 1 d . . .
H7ca H 0.5495 0.6790 0.2416 0.056 Uiso 1 1 calc R . .
H7cb H 0.4975 0.6131 0.2103 0.056 Uiso 1 1 calc R . .
C8c C 0.6467(3) 0.5965(2) 0.24460(16) 0.0542(9) Uani 1 1 d . . .
H8ca H 0.6422 0.5472 0.2532 0.065 Uiso 1 1 calc R . .
H8cb H 0.6738 0.6021 0.2051 0.065 Uiso 1 1 calc R . .
C9c C 0.8199(3) 0.6096(3) 0.2889(2) 0.0681(12) Uani 1 1 d . . .
H9ca H 0.8458 0.6201 0.2498 0.082 Uiso 1 1 calc R . .
H9cb H 0.8261 0.5599 0.2956 0.082 Uiso 1 1 calc R . .
C10c C 0.8817(3) 0.6451(3) 0.33469(18) 0.0719(14) Uani 1 1 d . . .
H10a H 0.8789 0.6945 0.3261 0.086 Uiso 1 1 calc R . .
H10b H 0.9548 0.6303 0.3339 0.086 Uiso 1 1 calc R . .
C11c C 0.9226(3) 0.6028(2) 0.43249(15) 0.0545(10) Uani 1 1 d . . .
H11c H 0.9896 0.6271 0.4316 0.065 Uiso 1 1 calc R . .
H11d H 0.9331 0.5550 0.4203 0.065 Uiso 1 1 calc R . .
C12c C 0.8873(3) 0.6045(3) 0.49383(17) 0.0711(14) Uani 1 1 d . . .
H12d H 0.9437 0.5865 0.5216 0.085 Uiso 1 1 calc R . .
H12e H 0.8756 0.6526 0.5048 0.085 Uiso 1 1 calc R . .
C13c C 0.4179(3) 0.6704(2) 0.31093(17) 0.0524(9) Uani 1 1 d . . .
H13a H 0.3674 0.6541 0.3386 0.063 Uiso 1 1 calc R . .
H13b H 0.3785 0.6841 0.2735 0.063 Uiso 1 1 calc R . .
C14c C 0.4718(3) 0.7296(2) 0.3366(2) 0.0605(10) Uani 1 1 d . . .
H14a H 0.4202 0.7661 0.3416 0.073 Uiso 1 1 calc R . .
H14b H 0.5207 0.7464 0.3083 0.073 Uiso 1 1 calc R . .
C15c C 0.4763(4) 0.7174(2) 0.4422(2) 0.0755(13) Uani 1 1 d . . .
H15a H 0.4336 0.6756 0.4424 0.091 Uiso 1 1 calc R . .
H15b H 0.4290 0.7571 0.4406 0.091 Uiso 1 1 calc R . .
C16c C 0.5467(5) 0.7205(2) 0.4978(2) 0.093(2) Uani 1 1 d . . .
H16a H 0.5930 0.7605 0.4964 0.112 Uiso 1 1 calc R . .
H16b H 0.5050 0.7256 0.5325 0.112 Uiso 1 1 calc R . .
C17c C 0.6916(4) 0.6576(2) 0.54984(19) 0.0768(15) Uani 1 1 d . . .
H17a H 0.6635 0.6698 0.5880 0.092 Uiso 1 1 calc R . .
H17b H 0.7435 0.6925 0.5409 0.092 Uiso 1 1 calc R . .
C18c C 0.7432(3) 0.5891(3) 0.55545(15) 0.0647(13) Uani 1 1 d . . .
H18a H 0.7969 0.5907 0.5891 0.078 Uiso 1 1 calc R . .
H18b H 0.6907 0.5550 0.5653 0.078 Uiso 1 1 calc R . .
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
Fe(1 N(5) 2.060(2) . ?
Fe(1 N(1) 2.107(2) . ?
Fe(1 N(3) 2.113(2) . ?
Fe(1 N(4) 2.115(2) . ?
Fe(1 N(2) 2.117(2) . ?
N(1) C(a1 1.369(3) . ?
N(1) C(a2 1.374(3) . ?
N(2) C(a3 1.369(3) . ?
N(2) C(a4 1.370(3) . ?
N(3) C(a5 1.371(3) . ?
N(3) C(a6 1.373(3) . ?
N(4) C(a8 1.364(3) . ?
N(4) C(a7 1.370(4) . ?
C(a1 C(m4 1.392(4) . ?
C(a1 C(b1 1.450(4) . ?
C(a2 C(m1 1.395(3) . ?
C(a2 C(b2 1.455(4) . ?
C(a3 C(m1 1.398(4) . ?
C(a3 C(b3 1.456(3) . ?
C(a4 C(m2 1.396(4) . ?
C(a4 C(b4 1.454(3) . ?
C(a5 C(m2 1.401(3) . ?
C(a5 C(b5 1.453(4) . ?
C(a6 C(m3 1.397(4) . ?
C(a6 C(b6 1.452(4) . ?
C(a7 C(m3 1.393(4) . ?
C(a7 C(b7 1.454(4) . ?
C(a8 C(m4 1.400(4) . ?
C(a8 C(b8 1.454(4) . ?
C(b1 C(b2 1.364(4) . ?
C(b1 C11 1.507(4) . ?
C(b2 C21 1.498(4) . ?
C(b3 C(b4 1.364(4) . ?
C(b3 C31 1.501(4) . ?
C(b4 C41 1.504(3) . ?
C(b5 C(b6 1.365(4) . ?
C(b5 C51 1.507(3) . ?
C(b6 C61 1.500(4) . ?
C(b7 C(b8 1.360(4) . ?
C(b7 C71 1.513(4) . ?
C(b8 C81 1.487(4) . ?
C(m1 H(m1 0.9500 . ?
C(m2 H(m2 0.9500 . ?
C(m3 H(m3 0.9500 . ?
C(m4 H(m4 0.9500 . ?
C11 C12 1.555(6) . ?
C11 H11a 0.9900 . ?
C11 H11b 0.9900 . ?
C12 H12a 0.9800 . ?
C12 H12b 0.9800 . ?
C12 H12c 0.9800 . ?
C21 C22 1.524(5) . ?
C21 H21a 0.9900 . ?
C21 H21b 0.9900 . ?
C22 H22a 0.9800 . ?
C22 H22b 0.9800 . ?
C22 H22c 0.9800 . ?
C31 C32 1.531(4) . ?
C31 H31a 0.9900 . ?
C31 H31b 0.9900 . ?
C32 H32a 0.9800 . ?
C32 H32b 0.9800 . ?
C32 H32c 0.9800 . ?
C41 C42 1.515(4) . ?
C41 H41a 0.9900 . ?
C41 H41b 0.9900 . ?
C42 H42a 0.9800 . ?
C42 H42b 0.9800 . ?
C42 H42c 0.9800 . ?
C51 C52 1.521(4) . ?
C51 H51a 0.9900 . ?
C51 H51b 0.9900 . ?
C52 H52a 0.9800 . ?
C52 H52b 0.9800 . ?
C52 H52c 0.9800 . ?
C61 C62 1.501(5) . ?
C61 H61a 0.9900 . ?
C61 H61b 0.9900 . ?
C62 H62a 0.9800 . ?
C62 H62b 0.9800 . ?
C62 H62c 0.9800 . ?
C71 C72 1.477(6) . ?
C71 H71a 0.9900 . ?
C71 H71b 0.9900 . ?
C72 H72a 0.9800 . ?
C72 H72b 0.9800 . ?
C72 H72c 0.9800 . ?
C81 C82 1.498(6) . ?
C81 H81a 0.9900 . ?
C81 H81b 0.9900 . ?
C82 H82a 0.9800 . ?
C82 H82b 0.9800 . ?
C82 H82c 0.9800 . ?
N(5) C(1) 1.342(4) . ?
N(5) C(3) 1.415(4) . ?
C(1) N(6) 1.332(4) . ?
C(1) C(4) 1.472(5) . ?
N(6) C(2) 1.391(4) . ?
C(2) C(3) 1.345(5) . ?
C(2) H(2 0.9500 . ?
C(3) H(3 0.9500 . ?
C(4) H(4a 0.9800 . ?
C(4) H(4b 0.9800 . ?
C(4) H(4c 0.9800 . ?
K1 O6c 2.703(3) . ?
K1 O4c 2.770(2) . ?
K1 O5c 2.809(3) . ?
K1 O2c 2.819(2) . ?
K1 O3c 2.830(2) . ?
K1 O1c 2.848(2) . ?
K1 N2c 2.932(3) . ?
K1 N1c 2.976(3) . ?
O1c C3c 1.394(4) . ?
O1c C2c 1.432(4) . ?
O2c C4c 1.412(4) . ?
O2c C5c 1.429(4) . ?
O3c C8c 1.422(5) . ?
O3c C9c 1.429(4) . ?
O4c C11c 1.394(4) . ?
O4c C10c 1.443(4) . ?
O5c C15c 1.321(5) . ?
O5c C14c 1.490(5) . ?
O6c C17c 1.416(6) . ?
O6c C16c 1.486(6) . ?
N1c C13c 1.446(5) . ?
N1c C7c 1.464(4) . ?
N1c C1c 1.493(5) . ?
N2c C6c 1.461(6) . ?
N2c C12c 1.468(4) . ?
N2c C18c 1.478(5) . ?
C1c C2c 1.452(5) . ?
C1c H1ca 0.9900 . ?
C1c H1cb 0.9900 . ?
C2c H2ca 0.9900 . ?
C2c H2cb 0.9900 . ?
C3c C4c 1.489(5) . ?
C3c H3ca 0.9900 . ?
C3c H3cb 0.9900 . ?
C4c H4ca 0.9900 . ?
C4c H4cb 0.9900 . ?
C5c C6c 1.485(5) . ?
C5c H5ca 0.9900 . ?
C5c H5cb 0.9900 . ?
C6c H6ca 0.9900 . ?
C6c H6cb 0.9900 . ?
C7c C8c 1.507(5) . ?
C7c H7ca 0.9900 . ?
C7c H7cb 0.9900 . ?
C8c H8ca 0.9900 . ?
C8c H8cb 0.9900 . ?
C9c C10c 1.438(7) . ?
C9c H9ca 0.9900 . ?
C9c H9cb 0.9900 . ?
C10c H10a 0.9900 . ?
C10c H10b 0.9900 . ?
C11c C12c 1.492(5) . ?
C11c H11c 0.9900 . ?
C11c H11d 0.9900 . ?
C12c H12d 0.9900 . ?
C12c H12e 0.9900 . ?
C13c C14c 1.453(6) . ?
C13c H13a 0.9900 . ?
C13c H13b 0.9900 . ?
C14c H14a 0.9900 . ?
C14c H14b 0.9900 . ?
C15c C16c 1.494(8) . ?
C15c H15a 0.9900 . ?
C15c H15b 0.9900 . ?
C16c H16a 0.9900 . ?
C16c H16b 0.9900 . ?
C17c C18c 1.503(7) . ?
C17c H17a 0.9900 . ?
C17c H17b 0.9900 . ?
C18c H18a 0.9900 . ?
C18c H18b 0.9900 . ?
