#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:10:14 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178551 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/58/4065852.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_4065852
loop_
_publ_author_name
'Crisp, Jeffrey A.'
'Meier, Ryan M.'
'Overby, Jason S.'
'Hanusa, Timothy P.'
'Rheingold, Arnold L.'
'Brennessel, William W.'
_publ_section_title
;
 Indenyl Complexes of Manganese(II). Conformational Flexibility of the
 Manganese(II)−(RnC9H7−n) Bond
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2322
_journal_paper_doi               10.1021/om100162j
_journal_volume                  29
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C168 H204 K6 Mn4 O18, 2(C33 H33 Mn)'
_chemical_formula_sum            'C234 H270 K6 Mn6 O18'
_chemical_formula_weight         3934.74
_chemical_name_common            hanjc07
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           173
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   19.125(5)
_cell_length_b                   19.125(5)
_cell_length_c                   32.076(8)
_cell_measurement_reflns_used    4170
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      31.15
_cell_measurement_theta_min      2.27
_cell_volume                     10160(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD Platform'
_diffrn_measurement_method       'area detector, ω scans per φ'
_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  0.1435
_diffrn_reflns_av_sigmaI/netI    0.1024
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            132350
_diffrn_reflns_theta_full        31.51
_diffrn_reflns_theta_max         31.51
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.549
_exptl_absorpt_correction_T_max  0.9678
_exptl_absorpt_correction_T_min  0.8616
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_F_000             4164
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.06
_refine_diff_density_max         4.709
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.129
_refine_ls_abs_structure_details
'Flack H D (1983), 11108 Friedel pairs, Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.21(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     822
_refine_ls_number_reflns         22576
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.1425
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1193P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1770
_refine_ls_wR_factor_ref         0.2191
_reflns_number_gt                13455
_reflns_number_total             22576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100162j_si_001.cif
_cod_data_source_block           hanjc07
_cod_original_cell_volume        10160(4)
_cod_database_code               4065852
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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
Mn1 Mn 0.6667 0.3333 0.65768(4) 0.0203(3) Uani 1 3 d S . .
C1 C 0.5713(3) 0.3686(3) 0.63671(16) 0.0211(9) Uani 1 1 d . . .
H1 H 0.5852 0.4177 0.6197 0.025 Uiso 1 1 calc R . .
C2 C 0.5682(3) 0.3676(3) 0.68131(15) 0.0250(10) Uani 1 1 d . . .
H2 H 0.5828 0.4168 0.6983 0.030 Uiso 1 1 calc R . .
C3 C 0.5142(3) 0.2890(3) 0.69535(15) 0.0222(9) Uani 1 1 d . . .
H3 H 0.5017 0.2725 0.7236 0.027 Uiso 1 1 calc R . .
C4 C 0.4292(3) 0.1544(3) 0.65582(14) 0.0185(8) Uani 1 1 d . . .
C5 C 0.4128(3) 0.1228(3) 0.61609(14) 0.0207(9) Uani 1 1 d . . .
H5 H 0.3779 0.0664 0.6126 0.025 Uiso 1 1 calc R . .
C6 C 0.4462(3) 0.1718(3) 0.58007(14) 0.0200(9) Uani 1 1 d . . .
H6 H 0.4331 0.1473 0.5533 0.024 Uiso 1 1 calc R . .
C7 C 0.4971(3) 0.2538(3) 0.58300(14) 0.0183(8) Uani 1 1 d . . .
C8 C 0.5163(3) 0.2885(3) 0.62314(14) 0.0191(9) Uani 1 1 d . . .
C9 C 0.4816(2) 0.2387(3) 0.65956(14) 0.0176(8) Uani 1 1 d . . .
C10 C 0.3957(3) 0.1029(3) 0.69400(15) 0.0275(10) Uani 1 1 d . . .
H10A H 0.3659 0.0459 0.6859 0.041 Uiso 1 1 calc R . .
H10B H 0.3591 0.1170 0.7084 0.041 Uiso 1 1 calc R . .
H10C H 0.4400 0.1122 0.7127 0.041 Uiso 1 1 calc R . .
C11 C 0.5342(3) 0.3078(3) 0.54584(15) 0.0260(10) Uani 1 1 d . . .
H11A H 0.5239 0.2747 0.5208 0.039 Uiso 1 1 calc R . .
H11B H 0.5926 0.3415 0.5501 0.039 Uiso 1 1 calc R . .
H11C H 0.5104 0.3424 0.5424 0.039 Uiso 1 1 calc R . .
Mn2 Mn 0.0000 0.0000 0.60155(4) 0.0206(2) Uani 1 3 d S . .
C12 C 0.1251(3) 0.1044(3) 0.62345(16) 0.0227(10) Uani 1 1 d . . .
H12 H 0.1313 0.1489 0.6422 0.027 Uiso 1 1 calc R . .
C13 C 0.1251(3) 0.1097(3) 0.57879(15) 0.0225(9) Uani 1 1 d . . .
H13 H 0.1297 0.1575 0.5636 0.027 Uiso 1 1 calc R . .
C14 C 0.1518(3) 0.0595(3) 0.56214(15) 0.0232(9) Uani 1 1 d . . .
H14 H 0.1567 0.0513 0.5333 0.028 Uiso 1 1 calc R . .
C15 C 0.1974(3) -0.0337(3) 0.59600(16) 0.0225(10) Uani 1 1 d . . .
C16 C 0.2099(3) -0.0573(3) 0.63386(18) 0.0265(10) Uani 1 1 d . . .
H16 H 0.2277 -0.0956 0.6350 0.032 Uiso 1 1 calc R . .
C17 C 0.1973(3) -0.0269(3) 0.67194(16) 0.0253(10) Uani 1 1 d . . .
H17 H 0.2086 -0.0442 0.6976 0.030 Uiso 1 1 calc R . .
C18 C 0.1695(3) 0.0268(3) 0.67267(15) 0.0209(9) Uani 1 1 d . . .
C19 C 0.1541(3) 0.0522(3) 0.63354(15) 0.0183(8) Uani 1 1 d . . .
C20 C 0.1704(3) 0.0228(3) 0.59544(14) 0.0191(9) Uani 1 1 d . . .
C21 C 0.2121(3) -0.0651(3) 0.55621(19) 0.0341(12) Uani 1 1 d . . .
H21A H 0.2270 -0.1062 0.5625 0.051 Uiso 1 1 calc R . .
H21B H 0.2562 -0.0206 0.5408 0.051 Uiso 1 1 calc R . .
H21C H 0.1630 -0.0892 0.5392 0.051 Uiso 1 1 calc R . .
C22 C 0.1554(3) 0.0594(3) 0.71237(15) 0.0319(11) Uani 1 1 d . . .
H22A H 0.1796 0.0459 0.7357 0.048 Uiso 1 1 calc R . .
H22B H 0.0973 0.0354 0.7171 0.048 Uiso 1 1 calc R . .
H22C H 0.1803 0.1182 0.7102 0.048 Uiso 1 1 calc R . .
Mn3 Mn 0.3333 0.6667 0.34741(4) 0.0213(3) Uani 1 3 d S . .
C23 C 0.2969(3) 0.5357(3) 0.36758(16) 0.0243(10) Uani 1 1 d . . .
H23 H 0.2473 0.5001 0.3841 0.029 Uiso 1 1 calc R . .
C24 C 0.2999(3) 0.5340(3) 0.32269(16) 0.0255(10) Uani 1 1 d . . .
H24 H 0.2516 0.4997 0.3050 0.031 Uiso 1 1 calc R . .
C25 C 0.3786(3) 0.5595(3) 0.31000(15) 0.0224(9) Uani 1 1 d . . .
H25 H 0.3967 0.5651 0.2820 0.027 Uiso 1 1 calc R . .
C26 C 0.5121(3) 0.6086(3) 0.35094(15) 0.0204(9) Uani 1 1 d . . .
C27 C 0.5424(3) 0.6243(3) 0.39081(16) 0.0224(10) Uani 1 1 d . . .
H27 H 0.5988 0.6467 0.3949 0.027 Uiso 1 1 calc R . .
C28 C 0.4916(3) 0.6080(3) 0.42626(15) 0.0207(9) Uani 1 1 d . . .
H28 H 0.5152 0.6199 0.4532 0.025 Uiso 1 1 calc R . .
C29 C 0.4091(3) 0.5752(3) 0.42262(14) 0.0203(9) Uani 1 1 d . . .
C30 C 0.3766(3) 0.5604(3) 0.38178(14) 0.0184(8) Uani 1 1 d . . .
C31 C 0.4269(3) 0.5756(2) 0.34594(14) 0.0183(8) Uani 1 1 d . . .
C32 C 0.5637(3) 0.6262(3) 0.31322(15) 0.0258(10) Uani 1 1 d . . .
H32A H 0.5527 0.6589 0.2937 0.039 Uiso 1 1 calc R . .
H32B H 0.5517 0.5753 0.2998 0.039 Uiso 1 1 calc R . .
H32C H 0.6207 0.6559 0.3214 0.039 Uiso 1 1 calc R . .
C33 C 0.3549(3) 0.5589(3) 0.45965(15) 0.0271(10) Uani 1 1 d . . .
H33A H 0.3872 0.5732 0.4853 0.041 Uiso 1 1 calc R . .
H33B H 0.3139 0.5015 0.4603 0.041 Uiso 1 1 calc R . .
H33C H 0.3284 0.5913 0.4575 0.041 Uiso 1 1 calc R . .
Mn4 Mn 0.6667 0.3333 0.40790(4) 0.0182(3) Uani 1 3 d S . .
C34 C 0.5655(3) 0.3568(3) 0.38666(14) 0.0197(9) Uani 1 1 d . . .
H34 H 0.5209 0.3190 0.3678 0.024 Uiso 1 1 calc R . .
C35 C 0.5579(3) 0.3523(3) 0.43061(16) 0.0230(10) Uani 1 1 d . . .
H35 H 0.5090 0.3090 0.4451 0.028 Uiso 1 1 calc R . .
C36 C 0.6064(3) 0.4295(3) 0.44786(14) 0.0178(9) Uani 1 1 d . . .
H36 H 0.6129 0.4427 0.4767 0.021 Uiso 1 1 calc R . .
C37 C 0.6984(3) 0.5690(3) 0.41406(16) 0.0222(9) Uani 1 1 d . . .
C38 C 0.7244(3) 0.6056(3) 0.37519(17) 0.0271(11) Uani 1 1 d . . .
H38 H 0.7611 0.6621 0.3739 0.033 Uiso 1 1 calc R . .
C39 C 0.6979(3) 0.5617(3) 0.33812(18) 0.0258(11) Uani 1 1 d . . .
H39 H 0.7173 0.5896 0.3125 0.031 Uiso 1 1 calc R . .
C40 C 0.6449(3) 0.4797(3) 0.33710(16) 0.0215(10) Uani 1 1 d . . .
C41 C 0.6185(3) 0.4413(3) 0.37633(15) 0.0179(9) Uani 1 1 d . . .
C42 C 0.6440(3) 0.4844(3) 0.41428(15) 0.0186(9) Uani 1 1 d . . .
C43 C 0.7243(3) 0.6160(3) 0.45442(17) 0.0309(11) Uani 1 1 d . . .
H43A H 0.7645 0.6724 0.4485 0.046 Uiso 1 1 calc R . .
H43B H 0.7480 0.5926 0.4729 0.046 Uiso 1 1 calc R . .
H43C H 0.6773 0.6136 0.4680 0.046 Uiso 1 1 calc R . .
C44 C 0.6141(4) 0.4318(4) 0.29739(17) 0.0321(13) Uani 1 1 d . . .
H44A H 0.5549 0.4041 0.2971 0.048 Uiso 1 1 calc R . .
H44B H 0.6318 0.3919 0.2959 0.048 Uiso 1 1 calc R . .
H44C H 0.6354 0.4683 0.2734 0.048 Uiso 1 1 calc R . .
Mn5 Mn 0.3333 0.6667 0.59977(4) 0.0186(3) Uani 1 3 d S . .
C45 C 0.3065(3) 0.5394(3) 0.61951(15) 0.0217(10) Uani 1 1 d . . .
H45 H 0.3449 0.5307 0.6368 0.026 Uiso 1 1 calc R . .
C46 C 0.3063(3) 0.5361(3) 0.57493(15) 0.0229(10) Uani 1 1 d . . .
H46 H 0.3461 0.5279 0.5585 0.027 Uiso 1 1 calc R . .
C47 C 0.2279(3) 0.5123(3) 0.56067(16) 0.0241(10) Uani 1 1 d . . .
H47 H 0.2116 0.5069 0.5323 0.029 Uiso 1 1 calc R . .
C48 C 0.0958(3) 0.4777(3) 0.59896(17) 0.0243(10) Uani 1 1 d . . .
C49 C 0.0642(3) 0.4696(3) 0.63804(19) 0.0291(12) Uani 1 1 d . . .
H49 H 0.0091 0.4551 0.6409 0.035 Uiso 1 1 calc R . .
C50 C 0.1113(3) 0.4822(3) 0.67471(16) 0.0242(10) Uani 1 1 d . . .
H50 H 0.0862 0.4741 0.7012 0.029 Uiso 1 1 calc R . .
C51 C 0.1915(3) 0.5058(3) 0.67282(16) 0.0203(9) Uani 1 1 d . . .
C52 C 0.2266(3) 0.5141(2) 0.63275(15) 0.0152(8) Uani 1 1 d . . .
C53 C 0.1781(3) 0.4981(3) 0.59548(15) 0.0197(9) Uani 1 1 d . . .
C54 C 0.0459(3) 0.4638(3) 0.56054(19) 0.0361(13) Uani 1 1 d . . .
H54A H -0.0059 0.4590 0.5683 0.054 Uiso 1 1 calc R . .
H54B H 0.0364 0.4140 0.5468 0.054 Uiso 1 1 calc R . .
H54C H 0.0747 0.5094 0.5414 0.054 Uiso 1 1 calc R . .
C55 C 0.2433(3) 0.5228(3) 0.71099(16) 0.0262(11) Uani 1 1 d . . .
H55A H 0.2087 0.5003 0.7356 0.039 Uiso 1 1 calc R . .
H55B H 0.2779 0.5813 0.7144 0.039 Uiso 1 1 calc R . .
H55C H 0.2771 0.4980 0.7078 0.039 Uiso 1 1 calc R . .
Mn6 Mn 0.0000 0.0000 0.40328(4) 0.0246(3) Uani 1 3 d S . .
C56 C 0.1306(3) 0.0938(3) 0.38788(19) 0.0326(13) Uani 1 1 d . . .
H56 H 0.1452 0.1459 0.3737 0.039 Uiso 1 1 calc R . .
C57 C 0.1324(3) 0.0874(4) 0.43200(19) 0.0406(14) Uani 1 1 d . . .
H57 H 0.1438 0.1334 0.4509 0.049 Uiso 1 1 calc R . .
C58 C 0.1507(3) 0.0275(4) 0.44314(18) 0.0377(13) Uani 1 1 d . . .
H58 H 0.1541 0.0112 0.4707 0.045 Uiso 1 1 calc R . .
C59 C 0.1815(3) -0.0655(3) 0.39825(17) 0.0270(10) Uani 1 1 d . . .
C60 C 0.1911(3) -0.0819(3) 0.35801(16) 0.0261(10) Uani 1 1 d . . .
H60 H 0.2049 -0.1224 0.3527 0.031 Uiso 1 1 calc R . .
C61 C 0.1814(3) -0.0408(3) 0.32417(17) 0.0266(10) Uani 1 1 d . . .
H61 H 0.1881 -0.0547 0.2966 0.032 Uiso 1 1 calc R . .
C62 C 0.1622(3) 0.0191(3) 0.33004(16) 0.0238(10) Uani 1 1 d . . .
C63 C 0.1527(3) 0.0379(3) 0.37125(16) 0.0252(10) Uani 1 1 d . . .
C64 C 0.1634(3) -0.0046(3) 0.40542(16) 0.0270(10) Uani 1 1 d . . .
C65 C 0.1884(3) -0.1145(4) 0.43355(18) 0.0397(13) Uani 1 1 d . . .
H65A H 0.2035 -0.1527 0.4222 0.060 Uiso 1 1 calc R . .
H65B H 0.1363 -0.1444 0.4479 0.060 Uiso 1 1 calc R . .
H65C H 0.2297 -0.0782 0.4533 0.060 Uiso 1 1 calc R . .
C66 C 0.1472(3) 0.0614(3) 0.29458(17) 0.0308(11) Uani 1 1 d . . .
H66A H 0.1795 0.1200 0.2987 0.046 Uiso 1 1 calc R . .
H66B H 0.0898 0.0451 0.2937 0.046 Uiso 1 1 calc R . .
H66C H 0.1626 0.0468 0.2682 0.046 Uiso 1 1 calc R . .
K1 K 0.30786(5) 0.19799(5) 0.60557(3) 0.02016(17) Uani 1 1 d . A .
K2 K 0.46728(5) 0.44434(5) 0.39785(3) 0.02047(18) Uani 1 1 d . . .
O1 O 0.3554(2) 0.3303(2) 0.35357(12) 0.0323(8) Uani 1 1 d . . .
C67 C 0.3489(4) 0.2606(3) 0.3339(2) 0.0436(15) Uani 1 1 d . . .
H67A H 0.3023 0.2114 0.3455 0.052 Uiso 1 1 calc R . .
H67B H 0.3984 0.2576 0.3392 0.052 Uiso 1 1 calc R . .
C68 C 0.3378(4) 0.2647(4) 0.2877(2) 0.0456(16) Uani 1 1 d . . .
H68A H 0.3861 0.3122 0.2760 0.055 Uiso 1 1 calc R . .
H68B H 0.3329 0.2158 0.2743 0.055 Uiso 1 1 calc R . .
O2 O 0.2691(2) 0.2702(2) 0.27831(11) 0.0364(9) Uani 1 1 d . . .
C69 C 0.2753(4) 0.3393(3) 0.29880(17) 0.0318(12) Uani 1 1 d . . .
H69A H 0.2260 0.3424 0.2932 0.038 Uiso 1 1 calc R . .
H69B H 0.3220 0.3887 0.2874 0.038 Uiso 1 1 calc R . .
C70 C 0.2856(3) 0.3362(3) 0.34471(16) 0.0274(10) Uani 1 1 d . . .
H70A H 0.2909 0.3855 0.3578 0.033 Uiso 1 1 calc R . .
H70B H 0.2373 0.2889 0.3566 0.033 Uiso 1 1 calc R . .
O3 O 0.3583(2) 0.3647(2) 0.45963(11) 0.0317(8) Uani 1 1 d . . .
C71 C 0.3964(4) 0.4010(3) 0.49760(18) 0.0387(13) Uani 1 1 d . . .
H71A H 0.4142 0.4593 0.4968 0.046 Uiso 1 1 calc R . .
H71B H 0.4447 0.3954 0.5015 0.046 Uiso 1 1 calc R . .
C72 C 0.3396(5) 0.3620(3) 0.53335(17) 0.0486(17) Uani 1 1 d . . .
H72A H 0.3667 0.3888 0.5597 0.058 Uiso 1 1 calc R . .
H72B H 0.2917 0.3686 0.5298 0.058 Uiso 1 1 calc R . .
O4 O 0.3148(2) 0.2794(2) 0.53554(12) 0.0388(9) Uani 1 1 d . . .
C73 C 0.2744(3) 0.2416(3) 0.49758(16) 0.0376(12) Uani 1 1 d . . .
H73A H 0.2255 0.2466 0.4946 0.045 Uiso 1 1 calc R . .
H73B H 0.2570 0.1834 0.4986 0.045 Uiso 1 1 calc R . .
C74 C 0.3292(3) 0.2800(3) 0.46007(17) 0.0357(12) Uani 1 1 d . . .
H74A H 0.3752 0.2701 0.4614 0.043 Uiso 1 1 calc R . .
H74B H 0.2988 0.2553 0.4341 0.043 Uiso 1 1 calc R . .
O5 O 0.3200(2) 0.3221(2) 0.64482(13) 0.0327(9) Uani 1 1 d D . .
C75 C 0.2548(14) 0.328(3) 0.6645(8) 0.050(5) Uani 0.46(2) 1 d PD A 1
H75A H 0.2024 0.2808 0.6569 0.060 Uiso 0.46(2) 1 calc PR A 1
H75B H 0.2550 0.3773 0.6542 0.060 Uiso 0.46(2) 1 calc PR A 1
C76 C 0.2636(13) 0.3329(17) 0.7105(8) 0.061(6) Uani 0.46(2) 1 d PD A 1
H76A H 0.2187 0.3374 0.7230 0.073 Uiso 0.46(2) 1 calc PR A 1
H76B H 0.2598 0.2824 0.7209 0.073 Uiso 0.46(2) 1 calc PR A 1
O6 O 0.3396(13) 0.4008(18) 0.7238(7) 0.045(3) Uani 0.46(2) 1 d PD A 1
C77 C 0.4051(12) 0.396(2) 0.7038(8) 0.037(3) Uani 0.46(2) 1 d PD A 1
H77A H 0.4066 0.3481 0.7142 0.045 Uiso 0.46(2) 1 calc PR A 1
H77B H 0.4572 0.4446 0.7109 0.045 Uiso 0.46(2) 1 calc PR A 1
C78 C 0.3942(10) 0.390(2) 0.6579(8) 0.029(3) Uani 0.46(2) 1 d PD A 1
H78A H 0.3961 0.4402 0.6476 0.035 Uiso 0.46(2) 1 calc PR A 1
H78B H 0.4397 0.3875 0.6449 0.035 Uiso 0.46(2) 1 calc PR A 1
C75' C 0.2526(12) 0.334(2) 0.6529(7) 0.050(5) Uani 0.54(2) 1 d PD A 5
H75C H 0.2035 0.2916 0.6390 0.060 Uiso 0.54(2) 1 calc PR A 5
H75D H 0.2640 0.3873 0.6421 0.060 Uiso 0.54(2) 1 calc PR A 5
C76' C 0.2402(11) 0.3303(14) 0.6988(8) 0.061(6) Uani 0.54(2) 1 d PD A 5
H76C H 0.1944 0.3387 0.7055 0.073 Uiso 0.54(2) 1 calc PR A 5
H76D H 0.2272 0.2764 0.7093 0.073 Uiso 0.54(2) 1 calc PR A 5
O6' O 0.3132(12) 0.3923(15) 0.7185(6) 0.045(3) Uani 0.54(2) 1 d PD A 5
C77' C 0.3837(12) 0.3865(19) 0.7090(6) 0.037(3) Uani 0.54(2) 1 d PD A 5
H77C H 0.3784 0.3367 0.7214 0.045 Uiso 0.54(2) 1 calc PR A 5
H77D H 0.4323 0.4334 0.7210 0.045 Uiso 0.54(2) 1 calc PR A 5
C78' C 0.3923(9) 0.3850(17) 0.6631(7) 0.029(3) Uani 0.54(2) 1 d PD A 5
H78C H 0.4043 0.4376 0.6512 0.035 Uiso 0.54(2) 1 calc PR A 5
H78D H 0.4379 0.3764 0.6564 0.035 Uiso 0.54(2) 1 calc PR A 5
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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
C1 Mn1 C1 112.08(11) 2_655 3_665
C1 Mn1 C1 112.07(11) 2_655 .
C1 Mn1 C1 112.07(11) 3_665 .
C1 Mn1 C2 123.73(16) 2_655 3_665
C1 Mn1 C2 35.10(17) 3_665 3_665
C1 Mn1 C2 122.34(17) . 3_665
C1 Mn1 C2 35.10(17) 2_655 2_655
C1 Mn1 C2 122.34(16) 3_665 2_655
C1 Mn1 C2 123.73(17) . 2_655
C2 Mn1 C2 110.55(12) 3_665 2_655
C1 Mn1 C2 122.34(17) 2_655 .
C1 Mn1 C2 123.73(17) 3_665 .
C1 Mn1 C2 35.10(17) . .
C2 Mn1 C2 110.55(12) 3_665 .
C2 Mn1 C2 110.55(12) 2_655 .
C8 C1 C2 106.7(4) . .
C8 C1 Mn1 92.4(3) . .
C2 C1 Mn1 75.0(3) . .
C8 C1 H1 123.3 . .
C2 C1 H1 123.3 . .
Mn1 C1 H1 123.3 . .
C3 C2 C1 109.8(4) . .
C3 C2 Mn1 93.9(3) . .
C1 C2 Mn1 69.9(3) . .
C3 C2 H2 122.8 . .
C1 C2 H2 122.8 . .
Mn1 C2 H2 122.8 . .
C2 C3 C9 107.7(4) . .
C2 C3 H3 126.2 . .
C9 C3 H3 126.2 . .
C5 C4 C9 117.1(4) . .
C5 C4 C10 122.5(4) . .
C9 C4 C10 120.4(4) . .
C5 C4 K1 67.6(3) . .
C9 C4 K1 86.5(3) . .
C10 C4 K1 116.5(3) . .
C4 C5 C6 122.2(4) . .
C4 C5 K1 87.4(3) . .
C6 C5 K1 77.4(3) . .
C4 C5 H5 118.9 . .
C6 C5 H5 118.9 . .
K1 C5 H5 105.8 . .
C7 C6 C5 121.6(4) . .
C7 C6 K1 88.4(3) . .
C5 C6 K1 75.4(3) . .
C7 C6 H6 119.2 . .
C5 C6 H6 119.2 . .
K1 C6 H6 106.7 . .
C6 C7 C8 118.0(4) . .
C6 C7 C11 123.5(4) . .
C8 C7 C11 118.5(4) . .
C6 C7 K1 67.1(2) . .
C8 C7 K1 86.4(3) . .
C11 C7 K1 117.5(3) . .
C7 C8 C1 131.6(4) . .
C7 C8 C9 120.2(4) . .
C1 C8 C9 108.1(4) . .
C7 C8 K1 69.9(2) . .
C1 C8 K1 128.8(3) . .
C9 C8 K1 76.7(2) . .
C4 C9 C3 131.2(4) . .
C4 C9 C8 120.9(4) . .
C3 C9 C8 107.7(4) . .
C4 C9 K1 69.5(2) . .
C3 C9 K1 126.9(3) . .
C8 C9 K1 79.5(2) . .
C4 C10 H10A 109.5 . .
C4 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C4 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C7 C11 H11A 109.5 . .
C7 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C7 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C12 Mn2 C12 111.32(12) . 2
C12 Mn2 C12 111.32(12) . 3
C12 Mn2 C12 111.32(12) 2 3
C12 Mn2 C13 125.36(17) . 2
C12 Mn2 C13 35.54(16) 2 2
C12 Mn2 C13 120.88(17) 3 2
C12 Mn2 C13 35.53(16) . .
C12 Mn2 C13 120.88(17) 2 .
C12 Mn2 C13 125.36(17) 3 .
C13 Mn2 C13 110.99(12) 2 .
C12 Mn2 C13 120.88(17) . 3
C12 Mn2 C13 125.36(17) 2 3
C12 Mn2 C13 35.54(16) 3 3
C13 Mn2 C13 110.99(12) 2 3
C13 Mn2 C13 110.99(11) . 3
C19 C12 C13 107.1(4) . .
C19 C12 Mn2 93.5(3) . .
C13 C12 Mn2 73.9(3) . .
C19 C12 K1 73.7(2) . .
C13 C12 K1 79.3(3) . .
Mn2 C12 K1 145.3(2) . .
C19 C12 H12 123.1 . .
C13 C12 H12 123.1 . .
Mn2 C12 H12 123.1 . .
K1 C12 H12 90.0 . .
C14 C13 C12 108.6(4) . .
C14 C13 Mn2 93.7(3) . .
C12 C13 Mn2 70.5(3) . .
C14 C13 K1 77.5(3) . .
C12 C13 K1 74.1(3) . .
Mn2 C13 K1 138.44(19) . .
C14 C13 H13 123.1 . .
C12 C13 H13 123.1 . .
Mn2 C13 H13 123.1 . .
K1 C13 H13 94.4 . .
C13 C14 C20 108.7(4) . .
C13 C14 K1 76.8(3) . .
C20 C14 K1 73.5(3) . .
C13 C14 H14 125.7 . .
C20 C14 H14 125.7 . .
K1 C14 H14 116.0 . .
C16 C15 C20 117.3(4) . .
C16 C15 C21 122.0(4) . .
C20 C15 C21 120.7(5) . .
C15 C16 C17 122.5(4) . .
C15 C16 H16 118.7 . .
C17 C16 H16 118.7 . .
C18 C17 C16 121.9(4) . .
C18 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C17 C18 C19 117.5(4) . .
C17 C18 C22 122.8(5) . .
C19 C18 C22 119.7(4) . .
C12 C19 C18 131.8(4) . .
C12 C19 C20 108.8(4) . .
C18 C19 C20 119.4(4) . .
C12 C19 K1 79.7(3) . .
C18 C19 K1 107.8(3) . .
C20 C19 K1 78.8(2) . .
C15 C20 C14 131.8(4) . .
C15 C20 C19 121.4(4) . .
C14 C20 C19 106.8(4) . .
C15 C20 K1 113.2(3) . .
C14 C20 K1 80.2(3) . .
C19 C20 K1 73.7(2) . .
C15 C21 H21A 109.5 . .
C15 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C15 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C18 C22 H22A 109.5 . .
C18 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C18 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23 Mn3 C23 112.62(11) 3_565 2_665
C23 Mn3 C23 112.62(11) 3_565 .
C23 Mn3 C23 112.62(11) 2_665 .
C23 Mn3 C24 124.52(17) 3_565 .
C23 Mn3 C24 121.50(17) 2_665 .
C23 Mn3 C24 35.27(17) . .
C23 Mn3 C24 35.27(17) 3_565 3_565
C23 Mn3 C24 124.52(17) 2_665 3_565
C23 Mn3 C24 121.50(17) . 3_565
C24 Mn3 C24 109.81(12) . 3_565
C23 Mn3 C24 121.50(17) 3_565 2_665
C23 Mn3 C24 35.27(17) 2_665 2_665
C23 Mn3 C24 124.52(17) . 2_665
C24 Mn3 C24 109.81(12) . 2_665
C24 Mn3 C24 109.81(12) 3_565 2_665
C30 C23 C24 106.2(4) . .
C30 C23 Mn3 92.1(3) . .
C24 C23 Mn3 75.7(3) . .
C30 C23 H23 123.4 . .
C24 C23 H23 123.4 . .
Mn3 C23 H23 123.4 . .
C25 C24 C23 109.4(4) . .
C25 C24 Mn3 93.2(3) . .
C23 C24 Mn3 69.0(3) . .
C25 C24 H24 123.1 . .
C23 C24 H24 123.1 . .
Mn3 C24 H24 123.1 . .
C24 C25 C31 108.2(4) . .
C24 C25 H25 125.9 . .
C31 C25 H25 125.9 . .
C27 C26 C31 117.6(4) . .
C27 C26 C32 123.1(4) . .
C31 C26 C32 119.2(4) . .
C27 C26 K2 69.7(3) . .
C31 C26 K2 86.2(3) . .
C32 C26 K2 115.3(3) . .
C26 C27 C28 121.8(4) . .
C26 C27 K2 84.9(3) . .
C28 C27 K2 78.8(3) . .
C26 C27 H27 119.1 . .
C28 C27 H27 119.1 . .
K2 C27 H27 106.9 . .
C29 C28 C27 122.1(4) . .
C29 C28 K2 87.5(3) . .
C27 C28 K2 74.1(3) . .
C29 C28 H28 119.0 . .
C27 C28 H28 119.0 . .
K2 C28 H28 109.2 . .
C28 C29 C30 117.1(4) . .
C28 C29 C33 122.7(4) . .
C30 C29 C33 120.2(4) . .
C28 C29 K2 67.8(3) . .
C30 C29 K2 84.6(3) . .
C33 C29 K2 119.4(3) . .
C29 C30 C23 130.6(4) . .
C29 C30 C31 121.3(4) . .
C23 C30 C31 107.9(4) . .
C29 C30 K2 71.5(2) . .
C23 C30 K2 128.9(3) . .
C31 C30 K2 75.5(2) . .
C25 C31 C30 108.2(4) . .
C25 C31 C26 131.6(4) . .
C30 C31 C26 120.0(4) . .
C25 C31 K2 127.0(3) . .
C30 C31 K2 80.4(2) . .
C26 C31 K2 69.0(2) . .
C26 C32 H32A 109.5 . .
C26 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C26 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C29 C33 H33A 109.5 . .
C29 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C29 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C34 Mn4 C34 111.60(11) 3_665 2_655
C34 Mn4 C34 111.60(11) 3_665 .
C34 Mn4 C34 111.60(11) 2_655 .
C34 Mn4 C35 120.86(18) 3_665 2_655
C34 Mn4 C35 35.01(17) 2_655 2_655
C34 Mn4 C35 125.20(18) . 2_655
C34 Mn4 C35 35.01(17) 3_665 3_665
C34 Mn4 C35 125.20(18) 2_655 3_665
C34 Mn4 C35 120.86(18) . 3_665
C35 Mn4 C35 111.20(12) 2_655 3_665
C34 Mn4 C35 125.20(18) 3_665 .
C34 Mn4 C35 120.86(18) 2_655 .
C34 Mn4 C35 35.01(17) . .
C35 Mn4 C35 111.19(12) 2_655 .
C35 Mn4 C35 111.20(12) 3_665 .
C35 C34 C41 106.8(4) . .
C35 C34 Mn4 76.3(3) . .
C41 C34 Mn4 95.5(3) . .
C35 C34 K2 81.1(3) . .
C41 C34 K2 72.6(3) . .
Mn4 C34 K2 150.3(2) . .
C35 C34 H34 122.3 . .
C41 C34 H34 122.3 . .
Mn4 C34 H34 122.3 . .
K2 C34 H34 86.2 . .
C36 C35 C34 109.5(4) . .
C36 C35 Mn4 96.4(3) . .
C34 C35 Mn4 68.7(3) . .
C36 C35 K2 78.8(3) . .
C34 C35 K2 73.0(3) . .
Mn4 C35 K2 137.1(2) . .
C36 C35 H35 122.6 . .
C34 C35 H35 122.6 . .
Mn4 C35 H35 122.6 . .
K2 C35 H35 94.0 . .
C35 C36 C42 107.6(4) . .
C35 C36 K2 76.0(3) . .
C42 C36 K2 72.2(2) . .
C35 C36 H36 126.2 . .
C42 C36 H36 126.2 . .
K2 C36 H36 117.6 . .
C38 C37 C42 116.8(5) . .
C38 C37 C43 122.6(4) . .
C42 C37 C43 120.6(4) . .
C37 C38 C39 121.9(5) . .
C37 C38 H38 119.1 . .
C39 C38 H38 119.1 . .
C40 C39 C38 123.0(5) . .
C40 C39 H39 118.5 . .
C38 C39 H39 118.5 . .
C39 C40 C41 116.0(5) . .
C39 C40 C44 123.7(5) . .
C41 C40 C44 120.4(5) . .
C42 C41 C40 122.1(4) . .
C42 C41 C34 107.4(4) . .
C40 C41 C34 130.5(4) . .
C42 C41 K2 81.1(3) . .
C40 C41 K2 106.8(3) . .
C34 C41 K2 79.9(3) . .
C41 C42 C37 120.2(4) . .
C41 C42 C36 108.7(4) . .
C37 C42 C36 131.0(4) . .
C41 C42 K2 72.3(3) . .
C37 C42 K2 111.6(3) . .
C36 C42 K2 82.0(3) . .
C37 C43 H43A 109.5 . .
C37 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C37 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C40 C44 H44A 109.5 . .
C40 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C40 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C45 Mn5 C45 112.79(11) 3_565 2_665
C45 Mn5 C45 112.79(11) 3_565 .
C45 Mn5 C45 112.79(11) 2_665 .
C45 Mn5 C46 122.75(19) 3_565 2_665
C45 Mn5 C46 35.14(17) 2_665 2_665
C45 Mn5 C46 123.21(19) . 2_665
C45 Mn5 C46 123.20(19) 3_565 .
C45 Mn5 C46 122.75(19) 2_665 .
C45 Mn5 C46 35.14(17) . .
C46 Mn5 C46 109.71(12) 2_665 .
C45 Mn5 C46 35.14(17) 3_565 3_565
C45 Mn5 C46 123.20(19) 2_665 3_565
C45 Mn5 C46 122.75(19) . 3_565
C46 Mn5 C46 109.70(12) 2_665 3_565
C46 Mn5 C46 109.70(12) . 3_565
C52 C45 C46 107.8(4) . .
C52 C45 Mn5 94.3(3) . .
C46 C45 Mn5 76.5(3) . .
C52 C45 H45 122.2 . .
C46 C45 H45 122.2 . .
Mn5 C45 H45 122.2 . .
C47 C46 C45 108.5(5) . .
C47 C46 Mn5 94.8(3) . .
C45 C46 Mn5 68.3(3) . .
C47 C46 H46 123.3 . .
C45 C46 H46 123.3 . .
Mn5 C46 H46 123.3 . .
C53 C47 C46 108.3(4) . .
C53 C47 H47 125.8 . .
C46 C47 H47 125.8 . .
C49 C48 C53 118.0(4) . .
C49 C48 C54 121.9(5) . .
C53 C48 C54 120.2(5) . .
C48 C49 C50 122.1(4) . .
C48 C49 H49 119.0 . .
C50 C49 H49 119.0 . .
C51 C50 C49 121.9(5) . .
C51 C50 H50 119.1 . .
C49 C50 H50 119.1 . .
C50 C51 C52 117.8(4) . .
C50 C51 C55 123.0(5) . .
C52 C51 C55 119.2(4) . .
C45 C52 C51 132.6(4) . .
C45 C52 C53 107.0(4) . .
C51 C52 C53 120.4(4) . .
C47 C53 C48 131.8(5) . .
C47 C53 C52 108.3(4) . .
C48 C53 C52 119.8(4) . .
C48 C54 H54A 109.5 . .
C48 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C48 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C51 C55 H55A 109.5 . .
C51 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C51 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C56 Mn6 C56 115.46(11) 2 3
C56 Mn6 C56 115.46(11) 2 .
C56 Mn6 C56 115.46(11) 3 .
C56 Mn6 C57 35.1(2) 2 2
C56 Mn6 C57 125.7(2) 3 2
C56 Mn6 C57 118.9(2) . 2
C56 Mn6 C57 125.7(2) 2 .
C56 Mn6 C57 118.9(2) 3 .
C56 Mn6 C57 35.1(2) . .
C57 Mn6 C57 106.35(17) 2 .
C56 Mn6 C57 118.9(2) 2 3
C56 Mn6 C57 35.1(2) 3 3
C56 Mn6 C57 125.7(2) . 3
C57 Mn6 C57 106.35(17) 2 3
C57 Mn6 C57 106.35(17) . 3
C57 C56 C63 106.1(5) . .
C57 C56 Mn6 77.4(3) . .
C63 C56 Mn6 96.2(3) . .
C57 C56 H56 122.2 . .
C63 C56 H56 122.2 . .
Mn6 C56 H56 122.2 . .
C58 C57 C56 110.6(5) . .
C58 C57 Mn6 97.8(4) . .
C56 C57 Mn6 67.5(3) . .
C58 C57 H57 122.2 . .
C56 C57 H57 122.2 . .
Mn6 C57 H57 122.2 . .
C57 C58 C64 107.5(5) . .
C57 C58 H58 126.3 . .
C64 C58 H58 126.3 . .
C60 C59 C64 118.0(5) . .
C60 C59 C65 120.0(5) . .
C64 C59 C65 122.0(5) . .
C59 C60 C61 122.1(5) . .
C59 C60 H60 119.0 . .
C61 C60 H60 119.0 . .
C62 C61 C60 121.5(5) . .
C62 C61 H61 119.2 . .
C60 C61 H61 119.2 . .
C61 C62 C63 117.6(5) . .
C61 C62 C66 123.0(5) . .
C63 C62 C66 119.3(4) . .
C62 C63 C56 131.7(5) . .
C62 C63 C64 119.9(4) . .
C56 C63 C64 108.4(5) . .
C59 C64 C58 131.7(5) . .
C59 C64 C63 120.9(5) . .
C58 C64 C63 107.4(5) . .
C59 C65 H65A 109.5 . .
C59 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C59 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C62 C66 H66A 109.5 . .
C62 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C62 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
O5 K1 O4 85.41(13) . .
O5 K1 C19 107.62(13) . .
O4 K1 C19 121.80(13) . .
O5 K1 C5 127.30(12) . .
O4 K1 C5 121.06(13) . .
C19 K1 C5 95.73(13) . .
O5 K1 C6 126.47(12) . .
O4 K1 C6 94.32(13) . .
C19 K1 C6 117.13(12) . .
C5 K1 C6 27.17(12) . .
O5 K1 C20 133.33(12) . .
O4 K1 C20 108.04(12) . .
C19 K1 C20 27.45(12) . .
C5 K1 C20 84.38(12) . .
C6 K1 C20 97.61(12) . .
O5 K1 C12 89.86(13) . .
O4 K1 C12 101.78(13) . .
C19 K1 C12 26.59(12) . .
C5 K1 C12 122.29(13) . .
C6 K1 C12 141.47(13) . .
C20 K1 C12 44.16(12) . .
O5 K1 C13 101.00(12) . .
O4 K1 C13 78.66(13) . .
C19 K1 C13 43.48(12) . .
C5 K1 C13 126.87(13) . .
C6 K1 C13 131.50(13) . .
C20 K1 C13 43.17(12) . .
C12 K1 C13 26.63(13) . .
O5 K1 C14 126.67(12) . .
O4 K1 C14 82.53(12) . .
C19 K1 C14 43.68(13) . .
C5 K1 C14 102.96(13) . .
C6 K1 C14 106.17(13) . .
C20 K1 C14 26.26(12) . .
C12 K1 C14 43.33(13) . .
C13 K1 C14 25.67(12) . .
O5 K1 C4 104.16(12) . .
O4 K1 C4 136.36(12) . .
C19 K1 C4 96.14(12) . .
C5 K1 C4 25.00(11) . .
C6 K1 C4 45.66(12) . .
C20 K1 C4 95.97(12) . .
C12 K1 C4 120.39(13) . .
C13 K1 C4 137.73(12) . .
C14 K1 C4 119.96(12) . .
O5 K1 C7 103.23(11) . .
O4 K1 C7 84.34(12) . .
C19 K1 C7 140.48(12) . .
C5 K1 C7 45.20(12) . .
C6 K1 C7 24.58(11) . .
C20 K1 C7 122.08(12) . .
C12 K1 C7 166.03(12) . .
C13 K1 C7 149.04(12) . .
C14 K1 C7 126.73(13) . .
C4 K1 C7 52.05(11) . .
O5 K1 C9 85.11(11) . .
O4 K1 C9 121.36(12) . .
C19 K1 C9 116.23(12) . .
C5 K1 C9 42.35(11) . .
C6 K1 C9 50.00(11) . .
C20 K1 C9 119.89(11) . .
C12 K1 C9 135.88(12) . .
C13 K1 C9 159.70(12) . .
C14 K1 C9 143.66(12) . .
C4 K1 C9 23.99(11) . .
C7 K1 C9 42.74(11) . .
O1 K2 O3 81.33(12) . .
O1 K2 C27 130.20(13) . .
O3 K2 C27 119.33(13) . .
O1 K2 C41 104.82(13) . .
O3 K2 C41 129.16(12) . .
C27 K2 C41 95.26(13) . .
O1 K2 C28 131.62(12) . .
O3 K2 C28 92.17(12) . .
C27 K2 C28 27.15(13) . .
C41 K2 C28 115.64(13) . .
O1 K2 C34 87.12(13) . .
O3 K2 C34 106.44(12) . .
C27 K2 C34 122.59(13) . .
C41 K2 C34 27.48(13) . .
C28 K2 C34 139.72(13) . .
O1 K2 C42 129.72(13) . .
O3 K2 C42 116.57(12) . .
C27 K2 C42 83.80(12) . .
C41 K2 C42 26.65(13) . .
C28 K2 C42 96.10(12) . .
C34 K2 C42 43.64(13) . .
O1 K2 C26 105.84(12) . .
O3 K2 C26 130.38(11) . .
C27 K2 C26 25.41(13) . .
C41 K2 C26 97.11(12) . .
C28 K2 C26 46.01(12) . .
C34 K2 C26 122.71(12) . .
C42 K2 C26 96.51(12) . .
O1 K2 C35 99.40(13) . .
O3 K2 C35 85.79(12) . .
C27 K2 C35 125.06(13) . .
C41 K2 C35 43.40(13) . .
C28 K2 C35 128.06(13) . .
C34 K2 C35 25.89(12) . .
C42 K2 C35 42.35(12) . .
C26 K2 C35 138.03(13) . .
O1 K2 C36 124.60(12) . .
O3 K2 C36 91.32(12) . .
C27 K2 C36 101.20(12) . .
C41 K2 C36 43.15(13) . .
C28 K2 C36 103.31(12) . .
C34 K2 C36 42.59(12) . .
C42 K2 C36 25.79(12) . .
C26 K2 C36 119.47(12) . .
C35 K2 C36 25.23(12) . .
O1 K2 C29 108.73(12) . .
O3 K2 C29 78.20(11) . .
C27 K2 C29 45.52(12) . .
C41 K2 C29 139.70(12) . .
C28 K2 C29 24.69(11) . .
C34 K2 C29 164.08(13) . .
C42 K2 C29 120.52(12) . .
C26 K2 C29 52.69(11) . .
C35 K2 C29 144.81(13) . .
C36 K2 C29 123.35(12) . .
O1 K2 C31 87.49(11) . .
O3 K2 C31 112.08(11) . .
C27 K2 C31 43.41(12) . .
C41 K2 C31 118.53(12) . .
C28 K2 C31 50.75(11) . .
C34 K2 C31 139.75(12) . .
C42 K2 C31 121.28(11) . .
C26 K2 C31 24.79(11) . .
C35 K2 C31 161.73(12) . .
C36 K2 C31 143.64(11) . .
C29 K2 C31 43.37(11) . .
C67 O1 C70 109.8(4) . .
C67 O1 K2 133.0(3) . .
C70 O1 K2 117.1(3) . .
O1 C67 C68 109.7(5) . .
O1 C67 H67A 109.7 . .
C68 C67 H67A 109.7 . .
O1 C67 H67B 109.7 . .
C68 C67 H67B 109.7 . .
H67A C67 H67B 108.2 . .
O2 C68 C67 112.2(5) . .
O2 C68 H68A 109.2 . .
C67 C68 H68A 109.2 . .
O2 C68 H68B 109.2 . .
C67 C68 H68B 109.2 . .
H68A C68 H68B 107.9 . .
C68 O2 C69 108.9(4) . .
O2 C69 C70 111.7(4) . .
O2 C69 H69A 109.3 . .
C70 C69 H69A 109.3 . .
O2 C69 H69B 109.3 . .
C70 C69 H69B 109.3 . .
H69A C69 H69B 107.9 . .
O1 C70 C69 110.3(4) . .
O1 C70 H70A 109.6 . .
C69 C70 H70A 109.6 . .
O1 C70 H70B 109.6 . .
C69 C70 H70B 109.6 . .
H70A C70 H70B 108.1 . .
C71 O3 C74 111.3(4) . .
C71 O3 K2 106.9(3) . .
C74 O3 K2 113.5(3) . .
O3 C71 C72 110.5(5) . .
O3 C71 H71A 109.6 . .
C72 C71 H71A 109.6 . .
O3 C71 H71B 109.6 . .
C72 C71 H71B 109.6 . .
H71A C71 H71B 108.1 . .
O4 C72 C71 110.5(5) . .
O4 C72 H72A 109.5 . .
C71 C72 H72A 109.5 . .
O4 C72 H72B 109.5 . .
C71 C72 H72B 109.5 . .
H72A C72 H72B 108.1 . .
C72 O4 C73 108.6(4) . .
C72 O4 K1 125.6(3) . .
C73 O4 K1 124.0(3) . .
O4 C73 C74 111.2(4) . .
O4 C73 H73A 109.4 . .
C74 C73 H73A 109.4 . .
O4 C73 H73B 109.4 . .
C74 C73 H73B 109.4 . .
H73A C73 H73B 108.0 . .
O3 C74 C73 109.9(4) . .
O3 C74 H74A 109.7 . .
C73 C74 H74A 109.7 . .
O3 C74 H74B 109.7 . .
C73 C74 H74B 109.7 . .
H74A C74 H74B 108.2 . .
C78' O5 C75' 111.0(14) . .
C78 O5 C75 107.3(14) . .
C78' O5 K1 125.2(14) . .
C78 O5 K1 125.0(15) . .
C75' O5 K1 123.8(12) . .
C75 O5 K1 126.8(15) . .
O5 C75 C76 111.1(14) . .
O5 C75 H75A 109.4 . .
C76 C75 H75A 109.4 . .
O5 C75 H75B 109.4 . .
C76 C75 H75B 109.4 . .
H75A C75 H75B 108.0 . .
O6 C76 C75 112.3(17) . .
O6 C76 H76A 109.1 . .
C75 C76 H76A 109.1 . .
O6 C76 H76B 109.1 . .
C75 C76 H76B 109.1 . .
H76A C76 H76B 107.9 . .
C76 O6 C77 108.9(14) . .
O6 C77 C78 110.4(16) . .
O6 C77 H77A 109.6 . .
C78 C77 H77A 109.6 . .
O6 C77 H77B 109.6 . .
C78 C77 H77B 109.6 . .
H77A C77 H77B 108.1 . .
O5 C78 C77 113.3(17) . .
O5 C78 H78A 108.9 . .
C77 C78 H78A 108.9 . .
O5 C78 H78B 108.9 . .
C77 C78 H78B 108.9 . .
H78A C78 H78B 107.7 . .
O5 C75' C76' 107.7(14) . .
O5 C75' H75C 110.2 . .
C76' C75' H75C 110.2 . .
O5 C75' H75D 110.2 . .
C76' C75' H75D 110.2 . .
H75C C75' H75D 108.5 . .
O6' C76' C75' 109.1(13) . .
O6' C76' H76C 109.9 . .
C75' C76' H76C 109.9 . .
O6' C76' H76D 109.9 . .
C75' C76' H76D 109.9 . .
H76C C76' H76D 108.3 . .
C77' O6' C76' 113.6(12) . .
O6' C77' C78' 109.2(14) . .
O6' C77' H77C 109.8 . .
C78' C77' H77C 109.8 . .
O6' C77' H77D 109.8 . .
C78' C77' H77D 109.8 . .
H77C C77' H77D 108.3 . .
O5 C78' C77' 110.7(12) . .
O5 C78' H78C 109.5 . .
C77' C78' H78C 109.5 . .
O5 C78' H78D 109.5 . .
C77' C78' H78D 109.5 . .
H78C C78' H78D 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 C1 2.337(4) 2_655
Mn1 C1 2.337(5) 3_665
Mn1 C1 2.337(4) .
Mn1 C2 2.404(5) 3_665
Mn1 C2 2.404(5) 2_655
Mn1 C2 2.404(5) .
C1 C8 1.425(7) .
C1 C2 1.431(7) .
C1 H1 1.0000 .
C2 C3 1.405(7) .
C2 H2 1.0000 .
C3 C9 1.426(6) .
C3 H3 0.9500 .
C4 C5 1.378(6) .
C4 C9 1.414(6) .
C4 C10 1.500(6) .
C4 K1 3.258(5) .
C5 C6 1.423(6) .
C5 K1 3.015(5) .
C5 H5 0.9500 .
C6 C7 1.373(6) .
C6 K1 3.041(4) .
C6 H6 0.9500 .
C7 C8 1.411(6) .
C7 C11 1.503(6) .
C7 K1 3.301(4) .
C8 C9 1.442(6) .
C8 K1 3.508(4) .
C9 K1 3.472(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
Mn2 C12 2.329(5) .
Mn2 C12 2.330(5) 2
Mn2 C12 2.330(5) 3
Mn2 C13 2.374(5) 2
Mn2 C13 2.374(5) .
Mn2 C13 2.374(5) 3
C12 C19 1.402(6) .
C12 C13 1.436(7) .
C12 K1 3.081(5) .
C12 H12 1.0000 .
C13 C14 1.400(7) .
C13 K1 3.147(5) .
C13 H13 1.0000 .
C14 C20 1.417(6) .
C14 K1 3.156(5) .
C14 H14 0.9500 .
C15 C16 1.358(7) .
C15 C20 1.411(6) .
C15 C21 1.496(7) .
C16 C17 1.424(8) .
C16 H16 0.9500 .
C17 C18 1.373(7) .
C17 H17 0.9500 .
C18 C19 1.428(7) .
C18 C22 1.500(7) .
C19 C20 1.443(6) .
C19 K1 3.005(4) .
C20 K1 3.071(4) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
Mn3 C23 2.332(5) 3_565
Mn3 C23 2.332(5) 2_665
Mn3 C23 2.332(5) .
Mn3 C24 2.419(5) .
Mn3 C24 2.419(5) 3_565
Mn3 C24 2.419(5) 2_665
C23 C30 1.426(6) .
C23 C24 1.442(7) .
C23 H23 1.0000 .
C24 C25 1.391(7) .
C24 H24 1.0000 .
C25 C31 1.411(6) .
C25 H25 0.9500 .
C26 C27 1.374(7) .
C26 C31 1.432(6) .
C26 C32 1.490(6) .
C26 K2 3.189(5) .
C27 C28 1.425(7) .
C27 K2 3.003(5) .
C27 H27 0.9500 .
C28 C29 1.382(6) .
C28 K2 3.063(5) .
C28 H28 0.9500 .
C29 C30 1.416(6) .
C29 C33 1.502(6) .
C29 K2 3.306(5) .
C30 C31 1.432(6) .
C30 K2 3.471(4) .
C31 K2 3.408(4) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
Mn4 C34 2.298(5) 3_665
Mn4 C34 2.298(5) 2_655
Mn4 C34 2.298(5) .
Mn4 C35 2.397(5) 2_655
Mn4 C35 2.397(5) 3_665
Mn4 C35 2.397(5) .
C34 C35 1.415(7) .
C34 C41 1.452(7) .
C34 K2 3.099(5) .
C34 H34 1.0000 .
C35 C36 1.407(7) .
C35 K2 3.202(5) .
C35 H35 1.0000 .
C36 C42 1.423(6) .
C36 K2 3.238(5) .
C36 H36 0.9500 .
C37 C38 1.394(7) .
C37 C42 1.420(6) .
C37 C43 1.512(7) .
C38 C39 1.396(8) .
C38 H38 0.9500 .
C39 C40 1.377(7) .
C39 H39 0.9500 .
C40 C41 1.417(7) .
C40 C44 1.506(8) .
C41 C42 1.414(7) .
C41 K2 3.003(5) .
C42 K2 3.114(5) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
Mn5 C45 2.311(5) 3_565
Mn5 C45 2.311(5) 2_665
Mn5 C45 2.311(5) .
Mn5 C46 2.418(5) 2_665
Mn5 C46 2.418(5) .
Mn5 C46 2.418(5) 3_565
C45 C52 1.418(7) .
C45 C46 1.431(7) .
C45 H45 1.0000 .
C46 C47 1.408(7) .
C46 H46 1.0000 .
C47 C53 1.403(7) .
C47 H47 0.9500 .
C48 C49 1.366(8) .
C48 C53 1.424(6) .
C48 C54 1.499(7) .
C49 C50 1.427(7) .
C49 H49 0.9500 .
C50 C51 1.368(6) .
C50 H50 0.9500 .
C51 C52 1.421(7) .
C51 C55 1.505(7) .
C52 C53 1.449(6) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
Mn6 C56 2.285(5) 2
Mn6 C56 2.285(5) 3
Mn6 C56 2.285(5) .
Mn6 C57 2.413(5) 2
Mn6 C57 2.413(5) .
Mn6 C57 2.413(5) 3
C56 C57 1.423(9) .
C56 C63 1.434(7) .
C56 H56 1.0000 .
C57 C58 1.402(9) .
C57 H57 1.0000 .
C58 C64 1.431(7) .
C58 H58 0.9500 .
C59 C60 1.363(7) .
C59 C64 1.388(7) .
C59 C65 1.518(7) .
C60 C61 1.406(7) .
C60 H60 0.9500 .
C61 C62 1.380(7) .
C61 H61 0.9500 .
C62 C63 1.405(7) .
C62 C66 1.504(7) .
C63 C64 1.440(7) .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
K1 O5 2.593(3) .
K1 O4 2.698(4) .
K2 O1 2.585(4) .
K2 O3 2.723(4) .
O1 C67 1.424(6) .
O1 C70 1.425(6) .
C67 C68 1.505(10) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 O2 1.402(7) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
O2 C69 1.426(6) .
C69 C70 1.491(7) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
O3 C71 1.410(6) .
O3 C74 1.425(6) .
C71 C72 1.497(8) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 O4 1.406(7) .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
O4 C73 1.429(6) .
C73 C74 1.521(7) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
O5 C78' 1.428(8) .
O5 C78 1.430(8) .
O5 C75' 1.442(12) .
O5 C75 1.455(13) .
C75 C76 1.483(18) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 O6 1.447(16) .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
O6 C77 1.451(14) .
C77 C78 1.485(15) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C75' C76' 1.485(17) .
C75' H75C 0.9900 .
C75' H75D 0.9900 .
C76' O6' 1.450(14) .
C76' H76C 0.9900 .
C76' H76D 0.9900 .
O6' C77' 1.440(13) .
C77' C78' 1.485(13) .
C77' H77C 0.9900 .
C77' H77D 0.9900 .
C78' H78C 0.9900 .
C78' H78D 0.9900 .
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
C1 Mn1 C1 C8 8.6(4) 2_655
C1 Mn1 C1 C8 135.64(19) 3_665
C2 Mn1 C1 C8 173.6(3) 3_665
C2 Mn1 C1 C8 -29.1(4) 2_655
C2 Mn1 C1 C8 -106.7(4) .
C1 Mn1 C1 C2 115.3(3) 2_655
C1 Mn1 C1 C2 -117.7(3) 3_665
C2 Mn1 C1 C2 -79.7(3) 3_665
C2 Mn1 C1 C2 77.5(3) 2_655
C8 C1 C2 C3 1.1(5) .
Mn1 C1 C2 C3 -86.8(4) .
C8 C1 C2 Mn1 88.0(3) .
C1 Mn1 C2 C3 27.0(4) 2_655
C1 Mn1 C2 C3 -169.8(3) 3_665
C1 Mn1 C2 C3 109.7(4) .
C2 Mn1 C2 C3 -132.9(2) 3_665
C2 Mn1 C2 C3 -10.2(4) 2_655
C1 Mn1 C2 C1 -82.7(3) 2_655
C1 Mn1 C2 C1 80.6(3) 3_665
C2 Mn1 C2 C1 117.4(3) 3_665
C2 Mn1 C2 C1 -119.9(3) 2_655
C1 C2 C3 C9 -0.3(5) .
Mn1 C2 C3 C9 -70.3(3) .
C9 C4 C5 C6 -0.1(7) .
C10 C4 C5 C6 -178.6(4) .
K1 C4 C5 C6 73.4(4) .
C9 C4 C5 K1 -73.5(4) .
C10 C4 C5 K1 108.0(4) .
C4 C5 C6 C7 0.0(7) .
K1 C5 C6 C7 78.7(4) .
C4 C5 C6 K1 -78.7(4) .
C5 C6 C7 C8 0.7(6) .
K1 C6 C7 C8 72.4(4) .
C5 C6 C7 C11 179.6(4) .
K1 C6 C7 C11 -108.7(4) .
C5 C6 C7 K1 -71.7(4) .
C6 C7 C8 C1 173.9(5) .
C11 C7 C8 C1 -5.1(7) .
K1 C7 C8 C1 -124.5(5) .
C6 C7 C8 C9 -1.3(6) .
C11 C7 C8 C9 179.7(4) .
K1 C7 C8 C9 60.3(4) .
C6 C7 C8 K1 -61.6(3) .
C11 C7 C8 K1 119.5(4) .
C2 C1 C8 C7 -177.1(5) .
Mn1 C1 C8 C7 -102.0(5) .
C2 C1 C8 C9 -1.5(5) .
Mn1 C1 C8 C9 73.6(3) .
C2 C1 C8 K1 85.8(4) .
Mn1 C1 C8 K1 160.8(2) .
C5 C4 C9 C3 -175.8(4) .
C10 C4 C9 C3 2.7(7) .
K1 C4 C9 C3 121.6(5) .
C5 C4 C9 C8 -0.5(6) .
C10 C4 C9 C8 178.0(4) .
K1 C4 C9 C8 -63.1(4) .
C5 C4 C9 K1 62.6(4) .
C10 C4 C9 K1 -118.9(4) .
C2 C3 C9 C4 175.1(4) .
C2 C3 C9 C8 -0.6(5) .
C2 C3 C9 K1 -90.6(4) .
C7 C8 C9 C4 1.2(6) .
C1 C8 C9 C4 -175.0(4) .
K1 C8 C9 C4 58.2(4) .
C7 C8 C9 C3 177.5(4) .
C1 C8 C9 C3 1.3(5) .
K1 C8 C9 C3 -125.5(3) .
C7 C8 C9 K1 -57.0(4) .
C1 C8 C9 K1 126.8(3) .
C12 Mn2 C12 C19 139.5(2) 2
C12 Mn2 C12 C19 14.7(4) 3
C13 Mn2 C12 C19 176.9(3) 2
C13 Mn2 C12 C19 -106.8(4) .
C13 Mn2 C12 C19 -23.7(4) 3
C12 Mn2 C12 C13 -113.7(3) 2
C12 Mn2 C12 C13 121.5(3) 3
C13 Mn2 C12 C13 -76.2(3) 2
C13 Mn2 C12 C13 83.2(3) 3
C12 Mn2 C12 K1 -154.4(3) 2
C12 Mn2 C12 K1 80.7(5) 3
C13 Mn2 C12 K1 -117.0(3) 2
C13 Mn2 C12 K1 -40.8(3) .
C13 Mn2 C12 K1 42.4(4) 3
C19 C12 C13 C14 1.5(5) .
Mn2 C12 C13 C14 -87.3(3) .
K1 C12 C13 C14 70.5(3) .
C19 C12 C13 Mn2 88.7(3) .
K1 C12 C13 Mn2 157.77(14) .
C19 C12 C13 K1 -69.0(3) .
Mn2 C12 C13 K1 -157.77(14) .
C12 Mn2 C13 C14 108.5(4) .
C12 Mn2 C13 C14 -167.7(3) 2
C12 Mn2 C13 C14 31.6(4) 3
C13 Mn2 C13 C14 -129.6(2) 2
C13 Mn2 C13 C14 -5.6(4) 3
C12 Mn2 C13 C12 83.8(3) 2
C12 Mn2 C13 C12 -76.9(3) 3
C13 Mn2 C13 C12 122.0(3) 2
C13 Mn2 C13 C12 -114.1(3) 3
C12 Mn2 C13 K1 33.3(3) .
C12 Mn2 C13 K1 117.0(3) 2
C12 Mn2 C13 K1 -43.7(4) 3
C13 Mn2 C13 K1 155.2(2) 2
C13 Mn2 C13 K1 -80.9(4) 3
C12 C13 C14 C20 -0.9(5) .
Mn2 C13 C14 C20 -71.6(4) .
K1 C13 C14 C20 67.3(3) .
C12 C13 C14 K1 -68.2(3) .
Mn2 C13 C14 K1 -138.92(17) .
C20 C15 C16 C17 -0.4(7) .
C21 C15 C16 C17 178.9(5) .
C15 C16 C17 C18 1.9(7) .
C16 C17 C18 C19 -0.7(7) .
C16 C17 C18 C22 179.7(4) .
C13 C12 C19 C18 177.7(5) .
Mn2 C12 C19 C18 -108.1(5) .
K1 C12 C19 C18 104.7(5) .
C13 C12 C19 C20 -1.4(5) .
Mn2 C12 C19 C20 72.8(3) .
K1 C12 C19 C20 -74.4(3) .
C13 C12 C19 K1 72.9(3) .
Mn2 C12 C19 K1 147.20(18) .
C17 C18 C19 C12 179.2(5) .
C22 C18 C19 C12 -1.2(7) .
C17 C18 C19 C20 -1.8(6) .
C22 C18 C19 C20 177.8(4) .
C17 C18 C19 K1 -88.8(4) .
C22 C18 C19 K1 90.8(4) .
C16 C15 C20 C14 180.0(5) .
C21 C15 C20 C14 0.7(8) .
C16 C15 C20 C19 -2.2(6) .
C21 C15 C20 C19 178.5(4) .
C16 C15 C20 K1 82.3(4) .
C21 C15 C20 K1 -97.0(4) .
C13 C14 C20 C15 178.1(5) .
K1 C14 C20 C15 -112.4(5) .
C13 C14 C20 C19 0.1(5) .
K1 C14 C20 C19 69.5(3) .
C13 C14 C20 K1 -69.5(3) .
C12 C19 C20 C15 -177.4(4) .
C18 C19 C20 C15 3.3(6) .
K1 C19 C20 C15 107.6(4) .
C12 C19 C20 C14 0.9(5) .
C18 C19 C20 C14 -178.4(4) .
K1 C19 C20 C14 -74.1(3) .
C12 C19 C20 K1 75.0(3) .
C18 C19 C20 K1 -104.2(4) .
C23 Mn3 C23 C30 -135.54(19) 3_565
C23 Mn3 C23 C30 -6.9(4) 2_665
C24 Mn3 C23 C30 106.2(4) .
C24 Mn3 C23 C30 -174.1(3) 3_565
C24 Mn3 C23 C30 31.2(4) 2_665
C23 Mn3 C23 C24 118.3(3) 3_565
C23 Mn3 C23 C24 -113.0(4) 2_665
C24 Mn3 C23 C24 79.7(3) 3_565
C24 Mn3 C23 C24 -74.9(3) 2_665
C30 C23 C24 C25 -2.1(6) .
Mn3 C23 C24 C25 85.9(4) .
C30 C23 C24 Mn3 -88.0(3) .
C23 Mn3 C24 C25 169.9(3) 3_565
C23 Mn3 C24 C25 -24.5(4) 2_665
C23 Mn3 C24 C25 -109.6(4) .
C24 Mn3 C24 C25 133.5(2) 3_565
C24 Mn3 C24 C25 12.7(4) 2_665
C23 Mn3 C24 C23 -80.5(3) 3_565
C23 Mn3 C24 C23 85.1(3) 2_665
C24 Mn3 C24 C23 -116.9(3) 3_565
C24 Mn3 C24 C23 122.3(3) 2_665
C23 C24 C25 C31 1.7(6) .
Mn3 C24 C25 C31 70.6(4) .
C31 C26 C27 C28 0.7(7) .
C32 C26 C27 C28 179.0(4) .
K2 C26 C27 C28 -73.4(4) .
C31 C26 C27 K2 74.1(4) .
C32 C26 C27 K2 -107.6(4) .
C26 C27 C28 C29 0.2(7) .
K2 C27 C28 C29 -76.6(4) .
C26 C27 C28 K2 76.7(4) .
C27 C28 C29 C30 -1.7(7) .
K2 C28 C29 C30 -71.1(4) .
C27 C28 C29 C33 -179.0(4) .
K2 C28 C29 C33 111.6(4) .
C27 C28 C29 K2 69.4(4) .
C28 C29 C30 C23 -172.6(5) .
C33 C29 C30 C23 4.8(8) .
K2 C29 C30 C23 125.8(5) .
C28 C29 C30 C31 2.5(6) .
C33 C29 C30 C31 179.9(4) .
K2 C29 C30 C31 -59.2(4) .
C28 C29 C30 K2 61.6(4) .
C33 C29 C30 K2 -121.0(4) .
C24 C23 C30 C29 177.2(5) .
Mn3 C23 C30 C29 101.5(5) .
C24 C23 C30 C31 1.7(5) .
Mn3 C23 C30 C31 -74.0(3) .
C24 C23 C30 K2 -83.9(5) .
Mn3 C23 C30 K2 -159.7(2) .
C24 C25 C31 C30 -0.6(5) .
C24 C25 C31 C26 -174.9(5) .
C24 C25 C31 K2 91.1(4) .
C29 C30 C31 C25 -176.8(4) .
C23 C30 C31 C25 -0.7(5) .
K2 C30 C31 C25 126.0(3) .
C29 C30 C31 C26 -1.7(6) .
C23 C30 C31 C26 174.3(4) .
K2 C30 C31 C26 -58.9(4) .
C29 C30 C31 K2 57.2(4) .
C23 C30 C31 K2 -126.7(3) .
C27 C26 C31 C25 173.8(5) .
C32 C26 C31 C25 -4.6(7) .
K2 C26 C31 C25 -121.5(5) .
C27 C26 C31 C30 0.1(6) .
C32 C26 C31 C30 -178.3(4) .
K2 C26 C31 C30 64.8(4) .
C27 C26 C31 K2 -64.7(4) .
C32 C26 C31 K2 116.9(4) .
C34 Mn4 C34 C35 -121.0(3) 3_665
C34 Mn4 C34 C35 113.4(4) 2_655
C35 Mn4 C34 C35 76.4(3) 2_655
C35 Mn4 C34 C35 -83.2(3) 3_665
C34 Mn4 C34 C41 -15.1(4) 3_665
C34 Mn4 C34 C41 -140.7(2) 2_655
C35 Mn4 C34 C41 -177.7(3) 2_655
C35 Mn4 C34 C41 22.8(4) 3_665
C35 Mn4 C34 C41 105.9(4) .
C34 Mn4 C34 K2 -79.2(5) 3_665
C34 Mn4 C34 K2 155.2(3) 2_655
C35 Mn4 C34 K2 118.2(4) 2_655
C35 Mn4 C34 K2 -41.4(5) 3_665
C35 Mn4 C34 K2 41.8(3) .
C41 C34 C35 C36 -2.4(5) .
Mn4 C34 C35 C36 89.3(3) .
K2 C34 C35 C36 -71.1(3) .
C41 C34 C35 Mn4 -91.7(3) .
K2 C34 C35 Mn4 -160.45(15) .
C41 C34 C35 K2 68.7(3) .
Mn4 C34 C35 K2 160.45(15) .
C34 Mn4 C35 C36 -31.3(4) 3_665
C34 Mn4 C35 C36 167.6(3) 2_655
C34 Mn4 C35 C36 -108.5(4) .
C35 Mn4 C35 C36 129.9(2) 2_655
C35 Mn4 C35 C36 5.4(4) 3_665
C34 Mn4 C35 C34 77.2(3) 3_665
C34 Mn4 C35 C34 -83.9(3) 2_655
C35 Mn4 C35 C34 -121.6(3) 2_655
C35 Mn4 C35 C34 113.9(4) 3_665
C34 Mn4 C35 K2 49.1(4) 3_665
C34 Mn4 C35 K2 -112.0(3) 2_655
C34 Mn4 C35 K2 -28.0(2) .
C35 Mn4 C35 K2 -149.6(3) 2_655
C35 Mn4 C35 K2 85.9(4) 3_665
C34 C35 C36 C42 1.4(5) .
Mn4 C35 C36 C42 71.0(4) .
K2 C35 C36 C42 -65.8(3) .
C34 C35 C36 K2 67.2(3) .
Mn4 C35 C36 K2 136.83(19) .
C42 C37 C38 C39 0.4(7) .
C43 C37 C38 C39 -177.9(5) .
C37 C38 C39 C40 -0.2(8) .
C38 C39 C40 C41 -0.5(7) .
C38 C39 C40 C44 178.4(5) .
C39 C40 C41 C42 1.0(7) .
C44 C40 C41 C42 -178.0(5) .
C39 C40 C41 C34 -178.1(5) .
C44 C40 C41 C34 3.0(8) .
C39 C40 C41 K2 90.9(4) .
C44 C40 C41 K2 -88.1(4) .
C35 C34 C41 C42 2.5(5) .
Mn4 C34 C41 C42 -74.9(4) .
K2 C34 C41 C42 77.2(3) .
C35 C34 C41 C40 -178.4(5) .
Mn4 C34 C41 C40 104.3(5) .
K2 C34 C41 C40 -103.6(5) .
C35 C34 C41 K2 -74.8(3) .
Mn4 C34 C41 K2 -152.11(17) .
C40 C41 C42 C37 -0.8(7) .
C34 C41 C42 C37 178.5(4) .
K2 C41 C42 C37 -105.1(4) .
C40 C41 C42 C36 179.1(4) .
C34 C41 C42 C36 -1.7(5) .
K2 C41 C42 C36 74.8(3) .
C40 C41 C42 K2 104.3(4) .
C34 C41 C42 K2 -76.4(3) .
C38 C37 C42 C41 0.1(7) .
C43 C37 C42 C41 178.4(4) .
C38 C37 C42 C36 -179.8(5) .
C43 C37 C42 C36 -1.5(8) .
C38 C37 C42 K2 -81.4(5) .
C43 C37 C42 K2 96.9(4) .
C35 C36 C42 C41 0.2(5) .
K2 C36 C42 C41 -68.2(3) .
C35 C36 C42 C37 -179.9(5) .
K2 C36 C42 C37 111.7(5) .
C35 C36 C42 K2 68.3(3) .
C45 Mn5 C45 C52 8.5(4) 3_565
C45 Mn5 C45 C52 137.71(19) 2_665
C46 Mn5 C45 C52 176.0(3) 2_665
C46 Mn5 C45 C52 -107.3(4) .
C46 Mn5 C45 C52 -29.9(4) 3_565
C45 Mn5 C45 C46 115.8(4) 3_565
C45 Mn5 C45 C46 -115.0(4) 2_665
C46 Mn5 C45 C46 -76.7(3) 2_665
C46 Mn5 C45 C46 77.5(3) 3_565
C52 C45 C46 C47 2.5(6) .
Mn5 C45 C46 C47 -87.8(4) .
C52 C45 C46 Mn5 90.3(4) .
C45 Mn5 C46 C47 25.2(4) 3_565
C45 Mn5 C46 C47 -168.5(3) 2_665
C45 Mn5 C46 C47 108.0(5) .
C46 Mn5 C46 C47 -131.9(2) 2_665
C46 Mn5 C46 C47 -11.3(4) 3_565
C45 Mn5 C46 C45 -82.8(3) 3_565
C45 Mn5 C46 C45 83.5(3) 2_665
C46 Mn5 C46 C45 120.1(4) 2_665
C46 Mn5 C46 C45 -119.3(4) 3_565
C45 C46 C47 C53 -1.8(6) .
Mn5 C46 C47 C53 -70.6(4) .
C53 C48 C49 C50 1.0(7) .
C54 C48 C49 C50 179.6(5) .
C48 C49 C50 C51 2.2(8) .
C49 C50 C51 C52 -2.7(7) .
C49 C50 C51 C55 177.4(5) .
C46 C45 C52 C51 -179.6(5) .
Mn5 C45 C52 C51 -102.4(5) .
C46 C45 C52 C53 -2.1(5) .
Mn5 C45 C52 C53 75.1(3) .
C50 C51 C52 C45 177.5(5) .
C55 C51 C52 C45 -2.7(8) .
C50 C51 C52 C53 0.2(7) .
C55 C51 C52 C53 -179.9(4) .
C46 C47 C53 C48 175.8(5) .
C46 C47 C53 C52 0.5(5) .
C49 C48 C53 C47 -178.3(5) .
C54 C48 C53 C47 3.1(8) .
C49 C48 C53 C52 -3.5(7) .
C54 C48 C53 C52 177.9(4) .
C45 C52 C53 C47 1.0(5) .
C51 C52 C53 C47 178.9(4) .
C45 C52 C53 C48 -175.0(4) .
C51 C52 C53 C48 2.9(6) .
C56 Mn6 C56 C57 116.5(4) 2
C56 Mn6 C56 C57 -104.6(4) 3
C57 Mn6 C56 C57 77.0(4) 2
C57 Mn6 C56 C57 -65.3(4) 3
C56 Mn6 C56 C63 -138.4(2) 2
C56 Mn6 C56 C63 0.5(5) 3
C57 Mn6 C56 C63 -177.9(3) 2
C57 Mn6 C56 C63 105.1(5) .
C57 Mn6 C56 C63 39.8(5) 3
C63 C56 C57 C58 -2.9(6) .
Mn6 C56 C57 C58 90.1(4) .
C63 C56 C57 Mn6 -93.0(4) .
C56 Mn6 C57 C58 166.7(3) 2
C56 Mn6 C57 C58 -15.1(5) 3
C56 Mn6 C57 C58 -109.1(5) .
C57 Mn6 C57 C58 133.7(3) 2
C57 Mn6 C57 C58 20.6(5) 3
C56 Mn6 C57 C56 -84.2(3) 2
C56 Mn6 C57 C56 94.0(4) 3
C57 Mn6 C57 C56 -117.2(4) 2
C57 Mn6 C57 C56 129.7(4) 3
C56 C57 C58 C64 1.6(6) .
Mn6 C57 C58 C64 70.4(4) .
C64 C59 C60 C61 -1.6(7) .
C65 C59 C60 C61 176.8(5) .
C59 C60 C61 C62 0.6(7) .
C60 C61 C62 C63 0.0(7) .
C60 C61 C62 C66 -176.8(4) .
C61 C62 C63 C56 -177.6(5) .
C66 C62 C63 C56 -0.6(8) .
C61 C62 C63 C64 0.3(7) .
C66 C62 C63 C64 177.3(4) .
C57 C56 C63 C62 -178.9(5) .
Mn6 C56 C63 C62 102.5(6) .
C57 C56 C63 C64 3.0(6) .
Mn6 C56 C63 C64 -75.6(4) .
C60 C59 C64 C58 -179.2(5) .
C65 C59 C64 C58 2.4(8) .
C60 C59 C64 C63 2.0(7) .
C65 C59 C64 C63 -176.4(5) .
C57 C58 C64 C59 -178.7(5) .
C57 C58 C64 C63 0.3(6) .
C62 C63 C64 C59 -1.4(7) .
C56 C63 C64 C59 177.0(4) .
C62 C63 C64 C58 179.5(5) .
C56 C63 C64 C58 -2.1(5) .
C12 C19 K1 O5 50.2(3) .
C18 C19 K1 O5 -80.6(3) .
C20 C19 K1 O5 161.9(2) .
C12 C19 K1 O4 -45.4(3) .
C18 C19 K1 O4 -176.3(3) .
C20 C19 K1 O4 66.2(3) .
C12 C19 K1 C5 -177.7(3) .
C18 C19 K1 C5 51.5(3) .
C20 C19 K1 C5 -66.0(3) .
C12 C19 K1 C6 -160.1(3) .
C18 C19 K1 C6 69.1(3) .
C20 C19 K1 C6 -48.4(3) .
C12 C19 K1 C20 -111.7(4) .
C18 C19 K1 C20 117.5(4) .
C18 C19 K1 C12 -130.8(5) .
C20 C19 K1 C12 111.7(4) .
C12 C19 K1 C13 -37.3(3) .
C18 C19 K1 C13 -168.1(4) .
C20 C19 K1 C13 74.4(3) .
C12 C19 K1 C14 -74.9(3) .
C18 C19 K1 C14 154.3(4) .
C20 C19 K1 C14 36.8(2) .
C12 C19 K1 C4 157.2(3) .
C18 C19 K1 C4 26.4(3) .
C20 C19 K1 C4 -91.1(3) .
C12 C19 K1 C7 -170.1(3) .
C18 C19 K1 C7 59.0(4) .
C20 C19 K1 C7 -58.5(3) .
C12 C19 K1 C9 143.5(3) .
C18 C19 K1 C9 12.6(3) .
C20 C19 K1 C9 -104.9(3) .
C4 C5 K1 O5 25.1(3) .
C6 C5 K1 O5 -98.8(3) .
C4 C5 K1 O4 135.0(3) .
C6 C5 K1 O4 11.2(3) .
C4 C5 K1 C19 -92.2(3) .
C6 C5 K1 C19 143.9(3) .
C4 C5 K1 C6 123.8(4) .
C4 C5 K1 C20 -117.3(3) .
C6 C5 K1 C20 118.9(3) .
C4 C5 K1 C12 -93.5(3) .
C6 C5 K1 C12 142.7(3) .
C4 C5 K1 C13 -125.5(3) .
C6 C5 K1 C13 110.7(3) .
C4 C5 K1 C14 -136.0(3) .
C6 C5 K1 C14 100.2(3) .
C6 C5 K1 C4 -123.8(4) .
C4 C5 K1 C7 94.5(3) .
C6 C5 K1 C7 -29.3(2) .
C4 C5 K1 C9 31.1(2) .
C6 C5 K1 C9 -92.8(3) .
C7 C6 K1 O5 -21.2(3) .
C5 C6 K1 O5 102.1(3) .
C7 C6 K1 O4 66.2(3) .
C5 C6 K1 O4 -170.4(3) .
C7 C6 K1 C19 -164.5(3) .
C5 C6 K1 C19 -41.2(3) .
C7 C6 K1 C5 -123.4(4) .
C7 C6 K1 C20 175.1(3) .
C5 C6 K1 C20 -61.5(3) .
C7 C6 K1 C12 -178.7(3) .
C5 C6 K1 C12 -55.3(4) .
C7 C6 K1 C13 144.9(3) .
C5 C6 K1 C13 -91.7(3) .
C7 C6 K1 C14 149.7(3) .
C5 C6 K1 C14 -86.9(3) .
C7 C6 K1 C4 -94.0(3) .
C5 C6 K1 C4 29.4(2) .
C5 C6 K1 C7 123.4(4) .
C7 C6 K1 C9 -61.9(3) .
C5 C6 K1 C9 61.4(3) .
C15 C20 K1 O5 -141.8(3) .
C14 C20 K1 O5 86.8(3) .
C19 C20 K1 O5 -24.1(3) .
C15 C20 K1 O4 117.2(3) .
C14 C20 K1 O4 -14.3(3) .
C19 C20 K1 O4 -125.1(3) .
C15 C20 K1 C19 -117.7(4) .
C14 C20 K1 C19 110.9(4) .
C15 C20 K1 C5 -3.7(3) .
C14 C20 K1 C5 -135.1(3) .
C19 C20 K1 C5 114.0(3) .
C15 C20 K1 C6 20.1(4) .
C14 C20 K1 C6 -111.4(3) .
C19 C20 K1 C6 137.8(3) .
C15 C20 K1 C12 -154.4(4) .
C14 C20 K1 C12 74.2(3) .
C19 C20 K1 C12 -36.7(3) .
C15 C20 K1 C13 166.7(4) .
C14 C20 K1 C13 35.2(3) .
C19 C20 K1 C13 -75.6(3) .
C15 C20 K1 C14 131.5(5) .
C19 C20 K1 C14 -110.9(4) .
C15 C20 K1 C4 -25.9(3) .
C14 C20 K1 C4 -157.3(3) .
C19 C20 K1 C4 91.8(3) .
C15 C20 K1 C7 22.5(4) .
C14 C20 K1 C7 -109.0(3) .
C19 C20 K1 C7 140.2(2) .
C15 C20 K1 C9 -27.7(4) .
C14 C20 K1 C9 -159.2(3) .
C19 C20 K1 C9 90.0(3) .
C19 C12 K1 O5 -132.9(3) .
C13 C12 K1 O5 115.5(3) .
Mn2 C12 K1 O5 155.2(4) .
C19 C12 K1 O4 141.8(3) .
C13 C12 K1 O4 30.2(3) .
Mn2 C12 K1 O4 69.9(4) .
C13 C12 K1 C19 -111.6(4) .
Mn2 C12 K1 C19 -71.9(4) .
C19 C12 K1 C5 2.7(3) .
C13 C12 K1 C5 -108.8(3) .
Mn2 C12 K1 C5 -69.1(4) .
C19 C12 K1 C6 29.1(4) .
C13 C12 K1 C6 -82.5(3) .
Mn2 C12 K1 C6 -42.8(5) .
C19 C12 K1 C20 37.9(3) .
C13 C12 K1 C20 -73.6(3) .
Mn2 C12 K1 C20 -33.9(3) .
C19 C12 K1 C13 111.6(4) .
Mn2 C12 K1 C13 39.7(3) .
C19 C12 K1 C14 76.3(3) .
C13 C12 K1 C14 -35.3(3) .
Mn2 C12 K1 C14 4.4(3) .
C19 C12 K1 C4 -26.5(3) .
C13 C12 K1 C4 -138.1(3) .
Mn2 C12 K1 C4 -98.4(4) .
C19 C12 K1 C7 26.9(7) .
C13 C12 K1 C7 -84.7(6) .
Mn2 C12 K1 C7 -45.0(8) .
C19 C12 K1 C9 -50.1(3) .
C13 C12 K1 C9 -161.7(2) .
Mn2 C12 K1 C9 -122.0(3) .
C14 C13 K1 O5 179.4(3) .
C12 C13 K1 O5 -66.9(3) .
Mn2 C13 K1 O5 -99.4(3) .
C14 C13 K1 O4 96.4(3) .
C12 C13 K1 O4 -149.8(3) .
Mn2 C13 K1 O4 177.6(3) .
C14 C13 K1 C19 -76.6(3) .
C12 C13 K1 C19 37.2(3) .
Mn2 C13 K1 C19 4.7(2) .
C14 C13 K1 C5 -24.1(3) .
C12 C13 K1 C5 89.7(3) .
Mn2 C13 K1 C5 57.2(3) .
C14 C13 K1 C6 10.7(4) .
C12 C13 K1 C6 124.5(3) .
Mn2 C13 K1 C6 91.9(3) .
C14 C13 K1 C20 -36.1(3) .
C12 C13 K1 C20 77.7(3) .
Mn2 C13 K1 C20 45.2(3) .
C14 C13 K1 C12 -113.8(4) .
Mn2 C13 K1 C12 -32.5(3) .
C12 C13 K1 C14 113.8(4) .
Mn2 C13 K1 C14 81.3(4) .
C14 C13 K1 C4 -54.9(4) .
C12 C13 K1 C4 58.9(3) .
Mn2 C13 K1 C4 26.4(4) .
C14 C13 K1 C7 38.4(4) .
C12 C13 K1 C7 152.1(3) .
Mn2 C13 K1 C7 119.6(3) .
C14 C13 K1 C9 -74.7(5) .
C12 C13 K1 C9 39.1(5) .
Mn2 C13 K1 C9 6.6(6) .
C13 C14 K1 O5 -0.8(3) .
C20 C14 K1 O5 -115.1(3) .
C13 C14 K1 O4 -79.3(3) .
C20 C14 K1 O4 166.3(3) .
C13 C14 K1 C19 75.7(3) .
C20 C14 K1 C19 -38.6(3) .
C13 C14 K1 C5 160.4(3) .
C20 C14 K1 C5 46.1(3) .
C13 C14 K1 C6 -171.7(3) .
C20 C14 K1 C6 74.0(3) .
C13 C14 K1 C20 114.3(4) .
C13 C14 K1 C12 36.7(3) .
C20 C14 K1 C12 -77.6(3) .
C20 C14 K1 C13 -114.3(4) .
C13 C14 K1 C4 140.6(3) .
C20 C14 K1 C4 26.3(3) .
C13 C14 K1 C7 -156.5(3) .
C20 C14 K1 C7 89.2(3) .
C13 C14 K1 C9 145.6(3) .
C20 C14 K1 C9 31.3(4) .
C5 C4 K1 O5 -159.7(3) .
C9 C4 K1 O5 -38.5(3) .
C10 C4 K1 O5 84.0(4) .
C5 C4 K1 O4 -61.3(3) .
C9 C4 K1 O4 59.9(3) .
C10 C4 K1 O4 -177.7(3) .
C5 C4 K1 C19 90.4(3) .
C9 C4 K1 C19 -148.4(3) .
C10 C4 K1 C19 -26.0(3) .
C9 C4 K1 C5 121.2(4) .
C10 C4 K1 C5 -116.4(5) .
C5 C4 K1 C6 -32.0(3) .
C9 C4 K1 C6 89.2(3) .
C10 C4 K1 C6 -148.4(4) .
C5 C4 K1 C20 62.8(3) .
C9 C4 K1 C20 -176.0(3) .
C10 C4 K1 C20 -53.6(3) .
C5 C4 K1 C12 102.0(3) .
C9 C4 K1 C12 -136.8(3) .
C10 C4 K1 C12 -14.4(4) .
C5 C4 K1 C13 75.6(3) .
C9 C4 K1 C13 -163.2(2) .
C10 C4 K1 C13 -40.8(4) .
C5 C4 K1 C14 51.4(3) .
C9 C4 K1 C14 172.6(2) .
C10 C4 K1 C14 -64.9(4) .
C5 C4 K1 C7 -63.8(3) .
C9 C4 K1 C7 57.4(3) .
C10 C4 K1 C7 179.9(4) .
C5 C4 K1 C9 -121.2(4) .
C10 C4 K1 C9 122.4(5) .
C6 C7 K1 O5 162.6(3) .
C8 C7 K1 O5 40.1(3) .
C11 C7 K1 O5 -80.4(3) .
C6 C7 K1 O4 -113.5(3) .
C8 C7 K1 O4 124.0(3) .
C11 C7 K1 O4 3.6(3) .
C6 C7 K1 C19 21.9(4) .
C8 C7 K1 C19 -100.6(3) .
C11 C7 K1 C19 139.0(3) .
C6 C7 K1 C5 32.5(3) .
C8 C7 K1 C5 -90.0(3) .
C11 C7 K1 C5 149.6(4) .
C8 C7 K1 C6 -122.5(4) .
C11 C7 K1 C6 117.1(5) .
C6 C7 K1 C20 -5.7(3) .
C8 C7 K1 C20 -128.2(3) .
C11 C7 K1 C20 111.3(3) .
C6 C7 K1 C12 3.4(7) .
C8 C7 K1 C12 -119.1(5) .
C11 C7 K1 C12 120.4(6) .
C6 C7 K1 C13 -56.8(4) .
C8 C7 K1 C13 -179.3(3) .
C11 C7 K1 C13 60.3(4) .
C6 C7 K1 C14 -37.2(3) .
C8 C7 K1 C14 -159.7(2) .
C11 C7 K1 C14 79.9(4) .
C6 C7 K1 C4 64.8(3) .
C8 C7 K1 C4 -57.7(3) .
C11 C7 K1 C4 -178.1(4) .
C6 C7 K1 C9 95.1(3) .
C8 C7 K1 C9 -27.4(2) .
C11 C7 K1 C9 -147.8(4) .
C4 C9 K1 O5 142.8(3) .
C3 C9 K1 O5 16.0(4) .
C8 C9 K1 O5 -88.4(3) .
C4 C9 K1 O4 -135.7(3) .
C3 C9 K1 O4 97.6(4) .
C8 C9 K1 O4 -6.8(3) .
C4 C9 K1 C19 35.5(3) .
C3 C9 K1 C19 -91.3(4) .
C8 C9 K1 C19 164.4(3) .
C4 C9 K1 C5 -32.4(2) .
C3 C9 K1 C5 -159.2(4) .
C8 C9 K1 C5 96.4(3) .
C4 C9 K1 C6 -69.0(3) .
C3 C9 K1 C6 164.2(4) .
C8 C9 K1 C6 59.9(3) .
C4 C9 K1 C20 4.6(3) .
C3 C9 K1 C20 -122.2(4) .
C8 C9 K1 C20 133.5(3) .
C4 C9 K1 C12 58.0(3) .
C3 C9 K1 C12 -68.8(4) .
C8 C9 K1 C12 -173.1(3) .
C4 C9 K1 C13 34.0(5) .
C3 C9 K1 C13 -92.7(5) .
C8 C9 K1 C13 162.9(3) .
C4 C9 K1 C14 -10.8(4) .
C3 C9 K1 C14 -137.6(4) .
C8 C9 K1 C14 118.1(3) .
C3 C9 K1 C4 -126.8(5) .
C8 C9 K1 C4 128.9(4) .
C4 C9 K1 C7 -101.7(3) .
C3 C9 K1 C7 131.5(4) .
C8 C9 K1 C7 27.2(2) .
C26 C27 K2 O1 -18.9(3) .
C28 C27 K2 O1 104.9(3) .
C26 C27 K2 O3 -123.3(3) .
C28 C27 K2 O3 0.6(3) .
C26 C27 K2 C41 95.5(3) .
C28 C27 K2 C41 -140.6(3) .
C26 C27 K2 C28 -123.9(4) .
C26 C27 K2 C34 98.6(3) .
C28 C27 K2 C34 -137.5(3) .
C26 C27 K2 C42 119.6(3) .
C28 C27 K2 C42 -116.5(3) .
C28 C27 K2 C26 123.9(4) .
C26 C27 K2 C35 129.7(3) .
C28 C27 K2 C35 -106.4(3) .
C26 C27 K2 C36 138.7(3) .
C28 C27 K2 C36 -97.4(3) .
C26 C27 K2 C29 -95.0(3) .
C28 C27 K2 C29 28.9(2) .
C26 C27 K2 C31 -31.4(2) .
C28 C27 K2 C31 92.5(3) .
C42 C41 K2 O1 -161.1(3) .
C40 C41 K2 O1 77.9(3) .
C34 C41 K2 O1 -51.6(3) .
C42 C41 K2 O3 -70.3(3) .
C40 C41 K2 O3 168.7(3) .
C34 C41 K2 O3 39.2(3) .
C42 C41 K2 C27 64.8(3) .
C40 C41 K2 C27 -56.2(3) .
C34 C41 K2 C27 174.4(3) .
C42 C41 K2 C28 46.1(3) .
C40 C41 K2 C28 -74.9(3) .
C34 C41 K2 C28 155.7(3) .
C42 C41 K2 C34 -109.6(4) .
C40 C41 K2 C34 129.5(5) .
C40 C41 K2 C42 -121.0(4) .
C34 C41 K2 C42 109.6(4) .
C42 C41 K2 C26 90.3(3) .
C40 C41 K2 C26 -30.7(3) .
C34 C41 K2 C26 -160.1(3) .
C42 C41 K2 C35 -73.1(3) .
C40 C41 K2 C35 165.9(4) .
C34 C41 K2 C35 36.5(3) .
C42 C41 K2 C36 -35.9(2) .
C40 C41 K2 C36 -156.9(4) .
C34 C41 K2 C36 73.6(3) .
C42 C41 K2 C29 53.2(3) .
C40 C41 K2 C29 -67.8(4) .
C34 C41 K2 C29 162.8(2) .
C42 C41 K2 C31 103.6(3) .
C40 C41 K2 C31 -17.4(4) .
C34 C41 K2 C31 -146.9(3) .
C29 C28 K2 O1 25.2(3) .
C27 C28 K2 O1 -99.2(3) .
C29 C28 K2 O3 -55.1(3) .
C27 C28 K2 O3 -179.5(3) .
C29 C28 K2 C27 124.4(4) .
C29 C28 K2 C41 168.9(3) .
C27 C28 K2 C41 44.5(3) .
C29 C28 K2 C34 -173.9(2) .
C27 C28 K2 C34 61.6(3) .
C29 C28 K2 C42 -172.1(3) .
C27 C28 K2 C42 63.5(3) .
C29 C28 K2 C26 94.7(3) .
C27 C28 K2 C26 -29.7(2) .
C29 C28 K2 C35 -141.4(3) .
C27 C28 K2 C35 94.1(3) .
C29 C28 K2 C36 -146.9(3) .
C27 C28 K2 C36 88.6(3) .
C27 C28 K2 C29 -124.4(4) .
C29 C28 K2 C31 62.0(3) .
C27 C28 K2 C31 -62.5(3) .
C35 C34 K2 O1 -118.5(3) .
C41 C34 K2 O1 130.7(3) .
Mn4 C34 K2 O1 -159.5(4) .
C35 C34 K2 O3 -38.5(3) .
C41 C34 K2 O3 -149.3(3) .
Mn4 C34 K2 O3 -79.4(4) .
C35 C34 K2 C27 104.2(3) .
C41 C34 K2 C27 -6.6(3) .
Mn4 C34 K2 C27 63.2(4) .
C35 C34 K2 C41 110.8(4) .
Mn4 C34 K2 C41 69.8(4) .
C35 C34 K2 C28 75.7(4) .
C41 C34 K2 C28 -35.1(4) .
Mn4 C34 K2 C28 34.7(5) .
C35 C34 K2 C42 73.0(3) .
C41 C34 K2 C42 -37.8(3) .
Mn4 C34 K2 C42 32.1(3) .
C35 C34 K2 C26 134.4(3) .
C41 C34 K2 C26 23.7(3) .
Mn4 C34 K2 C26 93.5(4) .
C41 C34 K2 C35 -110.8(4) .
Mn4 C34 K2 C35 -41.0(3) .
C35 C34 K2 C36 34.9(3) .
C41 C34 K2 C36 -75.8(3) .
Mn4 C34 K2 C36 -6.0(3) .
C35 C34 K2 C29 66.5(6) .
C41 C34 K2 C29 -44.3(6) .
Mn4 C34 K2 C29 25.5(7) .
C35 C34 K2 C31 158.8(3) .
C41 C34 K2 C31 48.0(3) .
Mn4 C34 K2 C31 117.8(4) .
C41 C42 K2 O1 24.0(3) .
C37 C42 K2 O1 140.2(3) .
C36 C42 K2 O1 -88.7(3) .
C41 C42 K2 O3 125.3(3) .
C37 C42 K2 O3 -118.5(3) .
C36 C42 K2 O3 12.6(3) .
C41 C42 K2 C27 -115.0(3) .
C37 C42 K2 C27 1.3(3) .
C36 C42 K2 C27 132.4(3) .
C37 C42 K2 C41 116.2(5) .
C36 C42 K2 C41 -112.7(4) .
C41 C42 K2 C28 -139.2(3) .
C37 C42 K2 C28 -23.0(3) .
C36 C42 K2 C28 108.1(3) .
C41 C42 K2 C34 39.1(3) .
C37 C42 K2 C34 155.3(4) .
C36 C42 K2 C34 -73.6(3) .
C41 C42 K2 C26 -92.9(3) .
C37 C42 K2 C26 23.3(3) .
C36 C42 K2 C26 154.4(3) .
C41 C42 K2 C35 77.4(3) .
C37 C42 K2 C35 -166.4(4) .
C36 C42 K2 C35 -35.3(3) .
C41 C42 K2 C36 112.7(4) .
C37 C42 K2 C36 -131.1(5) .
C41 C42 K2 C29 -143.0(3) .
C37 C42 K2 C29 -26.8(4) .
C36 C42 K2 C29 104.3(3) .
C41 C42 K2 C31 -92.0(3) .
C37 C42 K2 C31 24.2(4) .
C36 C42 K2 C31 155.3(2) .
C27 C26 K2 O1 165.1(3) .
C31 C26 K2 O1 43.7(3) .
C32 C26 K2 O1 -76.9(3) .
C27 C26 K2 O3 73.0(3) .
C31 C26 K2 O3 -48.3(3) .
C32 C26 K2 O3 -169.0(3) .
C31 C26 K2 C27 -121.4(4) .
C32 C26 K2 C27 118.0(5) .
C27 C26 K2 C41 -87.3(3) .
C31 C26 K2 C41 151.4(3) .
C32 C26 K2 C41 30.7(3) .
C27 C26 K2 C28 31.8(3) .
C31 C26 K2 C28 -89.6(3) .
C32 C26 K2 C28 149.8(4) .
C27 C26 K2 C34 -98.0(3) .
C31 C26 K2 C34 140.6(3) .
C32 C26 K2 C34 20.0(4) .
C27 C26 K2 C42 -60.4(3) .
C31 C26 K2 C42 178.2(3) .
C32 C26 K2 C42 57.6(3) .
C27 C26 K2 C35 -70.2(3) .
C31 C26 K2 C35 168.4(2) .
C32 C26 K2 C35 47.8(4) .
C27 C26 K2 C36 -48.0(3) .
C31 C26 K2 C36 -169.3(2) .
C32 C26 K2 C36 70.0(4) .
C27 C26 K2 C29 63.3(3) .
C31 C26 K2 C29 -58.0(3) .
C32 C26 K2 C29 -178.7(4) .
C27 C26 K2 C31 121.4(4) .
C32 C26 K2 C31 -120.7(5) .
C36 C35 K2 O1 177.4(3) .
C34 C35 K2 O1 62.8(3) .
Mn4 C35 K2 O1 90.0(3) .
C36 C35 K2 O3 -102.1(3) .
C34 C35 K2 O3 143.3(3) .
Mn4 C35 K2 O3 170.5(3) .
C36 C35 K2 C27 21.1(3) .
C34 C35 K2 C27 -93.5(3) .
Mn4 C35 K2 C27 -66.2(3) .
C36 C35 K2 C41 75.7(3) .
C34 C35 K2 C41 -38.9(3) .
Mn4 C35 K2 C41 -11.6(2) .
C36 C35 K2 C28 -12.7(3) .
C34 C35 K2 C28 -127.3(3) .
Mn4 C35 K2 C28 -100.0(3) .
C36 C35 K2 C34 114.6(4) .
Mn4 C35 K2 C34 27.3(2) .
C36 C35 K2 C42 36.1(3) .
C34 C35 K2 C42 -78.5(3) .
Mn4 C35 K2 C42 -51.2(3) .
C36 C35 K2 C26 50.7(3) .
C34 C35 K2 C26 -63.9(4) .
Mn4 C35 K2 C26 -36.7(4) .
C34 C35 K2 C36 -114.6(4) .
Mn4 C35 K2 C36 -87.4(4) .
C36 C35 K2 C29 -39.5(4) .
C34 C35 K2 C29 -154.1(3) .
Mn4 C35 K2 C29 -126.9(3) .
C36 C35 K2 C31 66.3(5) .
C34 C35 K2 C31 -48.3(6) .
Mn4 C35 K2 C31 -21.1(6) .
C35 C36 K2 O1 -3.1(3) .
C42 C36 K2 O1 110.9(3) .
C35 C36 K2 O3 77.2(3) .
C42 C36 K2 O3 -168.7(3) .
C35 C36 K2 C27 -162.5(3) .
C42 C36 K2 C27 -48.5(3) .
C35 C36 K2 C41 -76.8(3) .
C42 C36 K2 C41 37.2(3) .
C35 C36 K2 C28 169.8(3) .
C42 C36 K2 C28 -76.2(3) .
C35 C36 K2 C34 -35.9(3) .
C42 C36 K2 C34 78.1(3) .
C35 C36 K2 C42 -114.0(4) .
C35 C36 K2 C26 -143.5(3) .
C42 C36 K2 C26 -29.5(3) .
C42 C36 K2 C35 114.0(4) .
C35 C36 K2 C29 154.0(3) .
C42 C36 K2 C29 -92.0(3) .
C35 C36 K2 C31 -151.1(3) .
C42 C36 K2 C31 -37.0(3) .
C28 C29 K2 O1 -160.3(3) .
C30 C29 K2 O1 -38.1(3) .
C33 C29 K2 O1 83.6(4) .
C28 C29 K2 O3 123.2(3) .
C30 C29 K2 O3 -114.6(3) .
C33 C29 K2 O3 7.1(3) .
C28 C29 K2 C27 -31.8(3) .
C30 C29 K2 C27 90.4(3) .
C33 C29 K2 C27 -147.9(4) .
C28 C29 K2 C41 -15.5(4) .
C30 C29 K2 C41 106.7(3) .
C33 C29 K2 C41 -131.6(3) .
C30 C29 K2 C28 122.2(4) .
C33 C29 K2 C28 -116.1(5) .
C28 C29 K2 C34 14.4(6) .
C30 C29 K2 C34 136.6(4) .
C33 C29 K2 C34 -101.7(5) .
C28 C29 K2 C42 9.1(3) .
C30 C29 K2 C42 131.4(3) .
C33 C29 K2 C42 -106.9(3) .
C28 C29 K2 C26 -64.4(3) .
C30 C29 K2 C26 57.8(3) .
C33 C29 K2 C26 179.6(4) .
C28 C29 K2 C35 58.4(4) .
C30 C29 K2 C35 -179.4(3) .
C33 C29 K2 C35 -57.7(4) .
C28 C29 K2 C36 39.5(3) .
C30 C29 K2 C36 161.7(2) .
C33 C29 K2 C36 -76.6(4) .
C28 C29 K2 C31 -95.5(3) .
C30 C29 K2 C31 26.7(2) .
C33 C29 K2 C31 148.4(4) .
C25 C31 K2 O1 -11.3(4) .
C30 C31 K2 O1 94.3(3) .
C26 C31 K2 O1 -138.3(3) .
C25 C31 K2 O3 -90.9(4) .
C30 C31 K2 O3 14.7(3) .
C26 C31 K2 O3 142.1(3) .
C25 C31 K2 C27 159.2(4) .
C30 C31 K2 C27 -95.2(3) .
C26 C31 K2 C27 32.2(3) .
C25 C31 K2 C41 94.2(4) .
C30 C31 K2 C41 -160.1(2) .
C26 C31 K2 C41 -32.8(3) .
C25 C31 K2 C28 -164.8(4) .
C30 C31 K2 C28 -59.1(3) .
C26 C31 K2 C28 68.3(3) .
C25 C31 K2 C34 71.2(4) .
C30 C31 K2 C34 176.9(3) .
C26 C31 K2 C34 -55.7(3) .
C25 C31 K2 C42 124.9(4) .
C30 C31 K2 C42 -129.5(3) .
C26 C31 K2 C42 -2.1(3) .
C25 C31 K2 C26 126.9(5) .
C30 C31 K2 C26 -127.4(4) .
C25 C31 K2 C35 101.5(5) .
C30 C31 K2 C35 -152.8(4) .
C26 C31 K2 C35 -25.4(5) .
C25 C31 K2 C36 142.7(4) .
C30 C31 K2 C36 -111.6(3) .
C26 C31 K2 C36 15.8(3) .
C25 C31 K2 C29 -132.3(4) .
C30 C31 K2 C29 -26.6(2) .
C26 C31 K2 C29 100.8(3) .
O3 K2 O1 C67 -107.5(5) .
C27 K2 O1 C67 131.2(5) .
C41 K2 O1 C67 20.8(5) .
C28 K2 O1 C67 167.3(5) .
C34 K2 O1 C67 -0.4(5) .
C42 K2 O1 C67 10.0(6) .
C26 K2 O1 C67 122.8(5) .
C35 K2 O1 C67 -23.3(5) .
C36 K2 O1 C67 -21.9(6) .
C29 K2 O1 C67 178.2(5) .
C31 K2 O1 C67 139.7(5) .
O3 K2 O1 C70 75.0(3) .
C27 K2 O1 C70 -46.3(4) .
C41 K2 O1 C70 -156.7(3) .
C28 K2 O1 C70 -10.2(4) .
C34 K2 O1 C70 -177.9(3) .
C42 K2 O1 C70 -167.5(3) .
C26 K2 O1 C70 -54.6(3) .
C35 K2 O1 C70 159.2(3) .
C36 K2 O1 C70 160.6(3) .
C29 K2 O1 C70 0.7(4) .
C31 K2 O1 C70 -37.8(3) .
C70 O1 C67 C68 57.4(6) .
K2 O1 C67 C68 -120.2(5) .
O1 C67 C68 O2 -58.5(7) .
C67 C68 O2 C69 57.1(6) .
C68 O2 C69 C70 -56.8(6) .
C67 O1 C70 C69 -57.8(6) .
K2 O1 C70 C69 120.3(4) .
O2 C69 C70 O1 57.9(6) .
O1 K2 O3 C71 173.2(3) .
C27 K2 O3 C71 -55.3(3) .
C41 K2 O3 C71 71.1(4) .
C28 K2 O3 C71 -55.0(3) .
C34 K2 O3 C71 88.8(3) .
C42 K2 O3 C71 42.9(3) .
C26 K2 O3 C71 -83.4(3) .
C35 K2 O3 C71 73.0(3) .
C36 K2 O3 C71 48.3(3) .
C29 K2 O3 C71 -75.5(3) .
C31 K2 O3 C71 -103.1(3) .
O1 K2 O3 C74 50.1(3) .
C27 K2 O3 C74 -178.4(3) .
C41 K2 O3 C74 -52.0(4) .
C28 K2 O3 C74 -178.1(3) .
C34 K2 O3 C74 -34.3(4) .
C42 K2 O3 C74 -80.2(3) .
C26 K2 O3 C74 153.5(3) .
C35 K2 O3 C74 -50.1(3) .
C36 K2 O3 C74 -74.7(3) .
C29 K2 O3 C74 161.4(4) .
C31 K2 O3 C74 133.8(3) .
C74 O3 C71 C72 -57.1(6) .
K2 O3 C71 C72 178.5(4) .
O3 C71 C72 O4 60.4(7) .
C71 C72 O4 C73 -60.4(6) .
C71 C72 O4 K1 134.6(4) .
O5 K1 O4 C72 14.9(5) .
C19 K1 O4 C72 122.8(5) .
C5 K1 O4 C72 -116.5(5) .
C6 K1 O4 C72 -111.4(5) .
C20 K1 O4 C72 149.2(5) .
C12 K1 O4 C72 103.8(5) .
C13 K1 O4 C72 117.1(5) .
C14 K1 O4 C72 142.9(5) .
C4 K1 O4 C72 -90.8(5) .
C7 K1 O4 C72 -88.9(5) .
C9 K1 O4 C72 -66.5(5) .
O5 K1 O4 C73 -147.8(4) .
C19 K1 O4 C73 -39.9(4) .
C5 K1 O4 C73 80.8(4) .
C6 K1 O4 C73 85.9(4) .
C20 K1 O4 C73 -13.6(4) .
C12 K1 O4 C73 -58.9(4) .
C13 K1 O4 C73 -45.6(4) .
C14 K1 O4 C73 -19.9(4) .
C4 K1 O4 C73 106.4(4) .
C7 K1 O4 C73 108.3(4) .
C9 K1 O4 C73 130.7(4) .
C72 O4 C73 C74 58.6(6) .
K1 O4 C73 C74 -136.2(4) .
C71 O3 C74 C73 54.6(6) .
K2 O3 C74 C73 175.2(3) .
O4 C73 C74 O3 -55.6(6) .
O4 K1 O5 C78' -100.9(16) .
C19 K1 O5 C78' 137.2(16) .
C5 K1 O5 C78' 25.3(16) .
C6 K1 O5 C78' -8.9(16) .
C20 K1 O5 C78' 148.6(16) .
C12 K1 O5 C78' 157.3(16) .
C13 K1 O5 C78' -178.4(16) .
C14 K1 O5 C78' -178.0(16) .
C4 K1 O5 C78' 35.9(16) .
C7 K1 O5 C78' -17.8(16) .
C9 K1 O5 C78' 21.2(16) .
O4 K1 O5 C78 -91.5(19) .
C19 K1 O5 C78 146.5(19) .
C5 K1 O5 C78 34.6(19) .
C6 K1 O5 C78 0.5(19) .
C20 K1 O5 C78 157.9(19) .
C12 K1 O5 C78 166.7(19) .
C13 K1 O5 C78 -169.0(19) .
C14 K1 O5 C78 -168.7(19) .
C4 K1 O5 C78 45.3(19) .
C7 K1 O5 C78 -8.4(19) .
C9 K1 O5 C78 30.6(19) .
O4 K1 O5 C75' 82.5(16) .
C19 K1 O5 C75' -39.4(16) .
C5 K1 O5 C75' -151.3(16) .
C6 K1 O5 C75' 174.5(16) .
C20 K1 O5 C75' -28.0(16) .
C12 K1 O5 C75' -19.3(16) .
C13 K1 O5 C75' 5.0(16) .
C14 K1 O5 C75' 5.4(16) .
C4 K1 O5 C75' -140.7(16) .
C7 K1 O5 C75' 165.6(16) .
C9 K1 O5 C75' -155.4(16) .
O4 K1 O5 C75 101.4(17) .
C19 K1 O5 C75 -20.5(17) .
C5 K1 O5 C75 -132.4(17) .
C6 K1 O5 C75 -166.6(17) .
C20 K1 O5 C75 -9.1(17) .
C12 K1 O5 C75 -0.4(17) .
C13 K1 O5 C75 23.9(17) .
C14 K1 O5 C75 24.3(17) .
C4 K1 O5 C75 -121.8(17) .
C7 K1 O5 C75 -175.5(17) .
C9 K1 O5 C75 -136.5(17) .
C78' O5 C75 C76 -50(4) .
C78 O5 C75 C76 -57(3) .
C75' O5 C75 C76 -164(13) .
K1 O5 C75 C76 111.7(19) .
O5 C75 C76 O6 59(3) .
C75 C76 O6 C77 -56(3) .
C76 O6 C77 C78 55(3) .
C78' O5 C78 C77 -16(20) .
C75' O5 C78 C77 75(3) .
C75 O5 C78 C77 58(3) .
K1 O5 C78 C77 -111(2) .
O6 C77 C78 O5 -59(3) .
C78' O5 C75' C76' -63(2) .
C78 O5 C75' C76' -71(3) .
C75 O5 C75' C76' 8(9) .
K1 O5 C75' C76' 114.4(15) .
O5 C75' C76' O6' 59(2) .
C75' C76' O6' C77' -57(2) .
C76' O6' C77' C78' 54(3) .
C78 O5 C78' C77' 153(24) .
C75' O5 C78' C77' 61(3) .
C75 O5 C78' C77' 46(3) .
K1 O5 C78' C77' -116.1(18) .
O6' C77' C78' O5 -54(3) .
