#------------------------------------------------------------------------------
#$Date: 2019-11-22 23:52:48 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231602 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/60/4346059.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_4346059
loop_
_publ_author_name
'Kropp, Henning'
'Scheurer, Andreas'
'Heinemann, Frank W.'
'Bendix, Jesper'
'Meyer, Karsten'
_publ_section_title
;
 Coordination-induced spin-state change in manganese(V) complexes: the
 electronic structure of manganese(V) nitrides.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3562
_journal_page_last               3572
_journal_paper_doi               10.1021/acs.inorgchem.5b00112
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
;
 C80 H90 Ag Mn N20, 3(C24 H20 B), 2(C6 H6), 0.125(C2 H3 N)
;
_chemical_formula_sum            'C164.25 H162.375 Ag B3 Mn2 N18.125'
_chemical_formula_weight         2640.43
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.0940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   56.793(5)
_cell_length_b                   15.1843(14)
_cell_length_c                   40.541(4)
_cell_measurement_reflns_used    9174
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.03
_cell_measurement_theta_min      3.16
_cell_volume                     27514(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_refinement  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_solution    'SHELXTL 6.12 (Bruker AXS, 2002)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_radiation_source         'ImuS micro-focus tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_sigmaI/netI    0.0634
_diffrn_reflns_limit_h_max       72
_diffrn_reflns_limit_h_min       -72
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       51
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            108375
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    0.383
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2008'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             11094
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1761
_refine_ls_number_reflns         29801
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²+27.4319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                21518
_reflns_number_total             29801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00112_si_002.cif
_cod_data_source_block           hkr1407
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4346059
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ag1 Ag 0.887310(4) 0.773060(11) 0.387586(5) 0.02169(5) Uani 1 1 d . .
Mn1 Mn 0.921049(6) 0.72997(2) 0.537231(10) 0.01273(7) Uani 1 1 d . .
Mn2 Mn 0.835997(7) 0.84221(2) 0.230826(10) 0.01315(7) Uani 1 1 d . .
N1 N 0.95754(4) 0.60587(11) 0.56278(6) 0.0166(4) Uani 1 1 d . .
N2 N 0.89562(4) 0.55648(11) 0.54273(6) 0.0159(4) Uani 1 1 d . .
N3 N 0.86053(4) 0.63332(11) 0.49062(6) 0.0154(4) Uani 1 1 d . .
N4 N 0.96798(4) 0.71966(11) 0.63233(6) 0.0163(4) Uani 1 1 d . .
N5 N 0.92541(4) 0.74523(11) 0.61798(6) 0.0159(4) Uani 1 1 d . .
N6 N 0.97544(4) 0.77764(12) 0.54168(6) 0.0174(4) Uani 1 1 d . .
N7 N 0.95701(4) 0.89459(11) 0.54735(6) 0.0167(4) Uani 1 1 d . .
N8 N 0.89941(4) 0.80519(11) 0.52603(6) 0.0159(4) Uani 1 1 d . .
N9 N 0.91048(4) 0.72171(11) 0.48017(6) 0.0159(4) Uani 1 1 d . .
N10 N 0.88680(4) 0.84443(11) 0.24797(6) 0.0164(4) Uani 1 1 d . .
N11 N 0.85646(4) 1.03120(11) 0.23640(6) 0.0184(4) Uani 1 1 d . .
N12 N 0.82828(4) 1.02775(11) 0.25483(6) 0.0179(4) Uani 1 1 d . .
N13 N 0.83487(4) 0.81441(12) 0.15496(6) 0.0166(4) Uani 1 1 d . .
N14 N 0.79932(4) 0.90342(12) 0.13639(6) 0.0170(4) Uani 1 1 d . .
N15 N 0.86844(4) 0.66112(11) 0.25734(6) 0.0176(4) Uani 1 1 d . .
N16 N 0.82116(4) 0.64387(11) 0.22184(6) 0.0167(4) Uani 1 1 d . .
N17 N 0.80401(4) 0.83984(11) 0.21608(6) 0.0170(4) Uani 1 1 d . .
N18 N 0.85701(4) 0.82517(11) 0.29209(6) 0.0169(4) Uani 1 1 d . .
C1 C 0.94259(5) 0.51941(14) 0.55495(7) 0.0195(5) Uani 1 1 d . .
H1A H 0.9579 0.4722 0.5682 0.023 Uiso 1 1 calc R .
H1B H 0.9287 0.5081 0.5244 0.023 Uiso 1 1 calc R .
C2 C 0.92523(5) 0.51613(14) 0.57211(7) 0.0191(5) Uani 1 1 d . .
H2A H 0.9229 0.4541 0.5771 0.023 Uiso 1 1 calc R .
H2B H 0.9365 0.5477 0.5992 0.023 Uiso 1 1 calc R .
C3 C 0.89085(4) 0.63217(13) 0.52147(7) 0.0142(4) Uani 1 1 d . .
C4 C 0.86899(5) 0.51330(14) 0.52656(7) 0.0190(5) Uani 1 1 d . .
H4 H 0.8667 0.4598 0.5365 0.023 Uiso 1 1 calc R .
C5 C 0.84718(5) 0.56151(14) 0.49438(7) 0.0186(5) Uani 1 1 d . .
H5 H 0.8264 0.5490 0.4772 0.022 Uiso 1 1 calc R .
C6 C 0.98464(4) 0.60694(14) 0.60786(7) 0.0187(5) Uani 1 1 d . .
H6A H 1.0021 0.5881 0.6098 0.022 Uiso 1 1 calc R .
H6B H 0.9818 0.5631 0.6233 0.022 Uiso 1 1 calc R .
C7 C 0.99155(4) 0.69513(14) 0.62929(7) 0.0182(5) Uani 1 1 d . .
H7A H 1.0110 0.6921 0.6577 0.022 Uiso 1 1 calc R .
H7B H 0.9931 0.7405 0.6132 0.022 Uiso 1 1 calc R .
C8 C 0.93840(4) 0.72982(13) 0.59898(7) 0.0144(4) Uani 1 1 d . .
C9 C 0.97299(5) 0.72805(16) 0.67014(7) 0.0233(5) Uani 1 1 d . .
H9 H 0.9917 0.7230 0.6973 0.028 Uiso 1 1 calc R .
C10 C 0.94650(5) 0.74465(16) 0.66125(7) 0.0236(5) Uani 1 1 d . .
H10 H 0.9428 0.7542 0.6809 0.028 Uiso 1 1 calc R .
C11 C 0.96670(5) 0.61060(15) 0.53545(7) 0.0200(5) Uani 1 1 d . .
H11A H 0.9484 0.6128 0.5059 0.024 Uiso 1 1 calc R .
H11B H 0.9776 0.5558 0.5391 0.024 Uiso 1 1 calc R .
C12 C 0.98630(5) 0.68848(15) 0.54367(8) 0.0220(5) Uani 1 1 d . .
H12A H 1.0057 0.6807 0.5719 0.026 Uiso 1 1 calc R .
H12B H 0.9904 0.6856 0.5233 0.026 Uiso 1 1 calc R .
C13 C 0.95473(4) 0.80497(14) 0.54638(7) 0.0150(4) Uani 1 1 d . .
C14 C 0.99039(5) 0.84826(15) 0.54063(7) 0.0220(5) Uani 1 1 d . .
H14 H 1.0059 0.8454 0.5380 0.026 Uiso 1 1 calc R .
C15 C 0.97887(5) 0.92123(15) 0.54401(7) 0.0227(5) Uani 1 1 d . .
H15 H 0.9845 0.9801 0.5441 0.027 Uiso 1 1 calc R .
C16 C 0.84485(4) 0.67828(14) 0.45065(7) 0.0156(4) Uani 1 1 d . .
C17 C 0.84423(5) 0.63514(14) 0.41945(7) 0.0186(5) Uani 1 1 d . .
C18 C 0.82817(5) 0.67436(16) 0.38032(8) 0.0259(5) Uani 1 1 d . .
H18 H 0.8273 0.6463 0.3586 0.031 Uiso 1 1 calc R .
C19 C 0.81343(5) 0.75355(16) 0.37214(8) 0.0302(6) Uani 1 1 d . .
H19 H 0.8029 0.7800 0.3453 0.036 Uiso 1 1 calc R .
C20 C 0.81408(5) 0.79392(16) 0.40323(8) 0.0287(6) Uani 1 1 d . .
H20 H 0.8038 0.8481 0.3974 0.034 Uiso 1 1 calc R .
C21 C 0.82958(5) 0.75660(14) 0.44317(7) 0.0206(5) Uani 1 1 d . .
C22 C 0.86054(5) 0.54942(15) 0.42797(8) 0.0244(5) Uani 1 1 d . .
H22A H 0.8557 0.5267 0.4018 0.037 Uiso 1 1 calc R .
H22B H 0.8543 0.5065 0.4393 0.037 Uiso 1 1 calc R .
H22C H 0.8822 0.5593 0.4483 0.037 Uiso 1 1 calc R .
C23 C 0.82870(5) 0.79869(16) 0.47582(8) 0.0273(6) Uani 1 1 d . .
H23A H 0.8358 0.7566 0.4985 0.041 Uiso 1 1 calc R .
H23B H 0.8081 0.8162 0.4632 0.041 Uiso 1 1 calc R .
H23C H 0.8416 0.8508 0.4871 0.041 Uiso 1 1 calc R .
C24 C 0.89384(4) 0.75201(13) 0.59908(7) 0.0149(4) Uani 1 1 d . .
C25 C 0.88003(5) 0.67824(15) 0.60092(7) 0.0214(5) Uani 1 1 d . .
C26 C 0.85023(5) 0.68683(17) 0.58482(8) 0.0285(6) Uani 1 1 d . .
H26 H 0.8397 0.6367 0.5837 0.034 Uiso 1 1 calc R .
C27 C 0.83572(5) 0.76690(19) 0.57043(8) 0.0311(6) Uani 1 1 d . .
H27 H 0.8155 0.7716 0.5599 0.037 Uiso 1 1 calc R .
C28 C 0.85046(5) 0.84013(17) 0.57128(7) 0.0262(5) Uani 1 1 d . .
H28 H 0.8404 0.8952 0.5620 0.031 Uiso 1 1 calc R .
C29 C 0.87994(5) 0.83449(14) 0.58565(7) 0.0180(5) Uani 1 1 d . .
C30 C 0.89635(6) 0.59347(16) 0.62264(8) 0.0313(6) Uani 1 1 d . .
H30A H 0.9139 0.5882 0.6234 0.047 Uiso 1 1 calc R .
H30B H 0.8829 0.5434 0.6073 0.047 Uiso 1 1 calc R .
H30C H 0.9028 0.5938 0.6513 0.047 Uiso 1 1 calc R .
C31 C 0.89632(5) 0.91495(15) 0.58854(8) 0.0250(5) Uani 1 1 d . .
H31A H 0.9147 0.9219 0.6174 0.037 Uiso 1 1 calc R .
H31B H 0.8836 0.9668 0.5805 0.037 Uiso 1 1 calc R .
H31C H 0.9015 0.9088 0.5696 0.037 Uiso 1 1 calc R .
C32 C 0.94159(5) 0.96100(13) 0.55339(7) 0.0170(5) Uani 1 1 d . .
C33 C 0.95516(5) 0.98917(14) 0.59421(7) 0.0193(5) Uani 1 1 d . .
C34 C 0.94224(5) 1.06028(15) 0.59948(8) 0.0244(5) Uani 1 1 d . .
H34 H 0.9509 1.0809 0.6269 0.029 Uiso 1 1 calc R .
C35 C 0.91701(5) 1.10124(15) 0.56531(8) 0.0268(6) Uani 1 1 d . .
H35 H 0.9084 1.1494 0.5694 0.032 Uiso 1 1 calc R .
C36 C 0.90431(5) 1.07210(15) 0.52518(8) 0.0253(5) Uani 1 1 d . .
H36 H 0.8870 1.1010 0.5019 0.030 Uiso 1 1 calc R .
C37 C 0.91624(5) 1.00155(14) 0.51812(7) 0.0194(5) Uani 1 1 d . .
C38 C 0.98216(5) 0.94406(16) 0.63221(7) 0.0261(5) Uani 1 1 d . .
H38A H 0.9954 0.9882 0.6535 0.039 Uiso 1 1 calc R .
H38B H 0.9929 0.9122 0.6241 0.039 Uiso 1 1 calc R .
H38C H 0.9757 0.9025 0.6437 0.039 Uiso 1 1 calc R .
C39 C 0.90251(5) 0.97115(16) 0.47428(8) 0.0275(6) Uani 1 1 d . .
H39A H 0.8900 0.9193 0.4676 0.041 Uiso 1 1 calc R .
H39B H 0.9184 0.9559 0.4724 0.041 Uiso 1 1 calc R .
H39C H 0.8902 1.0185 0.4544 0.041 Uiso 1 1 calc R .
C40 C 0.90328(5) 0.73953(14) 0.44747(7) 0.0187(5) Uani 1 1 d . .
C41 C 0.89946(5) 0.93475(14) 0.26188(7) 0.0193(5) Uani 1 1 d . .
H41A H 0.9186 0.9375 0.2662 0.023 Uiso 1 1 calc R .
H41B H 0.9038 0.9472 0.2891 0.023 Uiso 1 1 calc R .
C42 C 0.87849(5) 1.00481(15) 0.23052(8) 0.0211(5) Uani 1 1 d . .
H42A H 0.8903 1.0569 0.2338 0.025 Uiso 1 1 calc R .
H42B H 0.8679 0.9818 0.2017 0.025 Uiso 1 1 calc R .
C43 C 0.84118(4) 0.97428(14) 0.24257(7) 0.0155(4) Uani 1 1 d . .
C44 C 0.85262(5) 1.11760(15) 0.24294(8) 0.0248(5) Uani 1 1 d . .
H44 H 0.8609 1.1685 0.2399 0.030 Uiso 1 1 calc R .
C45 C 0.83501(5) 1.11563(15) 0.25426(8) 0.0254(5) Uani 1 1 d . .
H45 H 0.8283 1.1651 0.2607 0.030 Uiso 1 1 calc R .
C46 C 0.88848(5) 0.81877(15) 0.21414(7) 0.0189(5) Uani 1 1 d . .
H46A H 0.9073 0.7858 0.2268 0.023 Uiso 1 1 calc R .
H46B H 0.8895 0.8730 0.2015 0.023 Uiso 1 1 calc R .
C47 C 0.86252(5) 0.76285(15) 0.17949(7) 0.0188(5) Uani 1 1 d . .
H47A H 0.8670 0.7408 0.1609 0.023 Uiso 1 1 calc R .
H47B H 0.8599 0.7113 0.1919 0.023 Uiso 1 1 calc R .
C48 C 0.82272(4) 0.85815(13) 0.17090(7) 0.0148(4) Uani 1 1 d . .
C49 C 0.81968(5) 0.83080(15) 0.11286(7) 0.0206(5) Uani 1 1 d . .
H49 H 0.8242 0.8075 0.0956 0.025 Uiso 1 1 calc R .
C50 C 0.79734(5) 0.88589(15) 0.10108(7) 0.0216(5) Uani 1 1 d . .
H50 H 0.7828 0.9087 0.0737 0.026 Uiso 1 1 calc R .
C51 C 0.90629(4) 0.78527(14) 0.28467(7) 0.0185(5) Uani 1 1 d . .
H51A H 0.9046 0.8019 0.3067 0.022 Uiso 1 1 calc R .
H51B H 0.9273 0.7946 0.2961 0.022 Uiso 1 1 calc R .
C52 C 0.89895(5) 0.68888(14) 0.27484(7) 0.0196(5) Uani 1 1 d . .
H52A H 0.9026 0.6717 0.2548 0.023 Uiso 1 1 calc R .
H52B H 0.9132 0.6552 0.3010 0.023 Uiso 1 1 calc R .
C53 C 0.84223(5) 0.70731(14) 0.23380(7) 0.0154(4) Uani 1 1 d . .
C54 C 0.86359(5) 0.57216(14) 0.25934(7) 0.0222(5) Uani 1 1 d . .
H54 H 0.8784 0.5275 0.2737 0.027 Uiso 1 1 calc R .
C55 C 0.83415(5) 0.56150(14) 0.23732(8) 0.0233(5) Uani 1 1 d . .
H55 H 0.8240 0.5079 0.2330 0.028 Uiso 1 1 calc R .
C56 C 0.81675(5) 1.00269(14) 0.27703(7) 0.0184(5) Uani 1 1 d . .
C57 C 0.78626(5) 0.98749(14) 0.25517(7) 0.0212(5) Uani 1 1 d . .
C58 C 0.77645(6) 0.96782(16) 0.27859(8) 0.0282(6) Uani 1 1 d . .
H58 H 0.7558 0.9563 0.2645 0.034 Uiso 1 1 calc R .
C59 C 0.79611(6) 0.96488(17) 0.32171(8) 0.0335(6) Uani 1 1 d . .
H59 H 0.7891 0.9509 0.3371 0.040 Uiso 1 1 calc R .
C60 C 0.82614(6) 0.98234(17) 0.34263(8) 0.0334(6) Uani 1 1 d . .
H60 H 0.8395 0.9806 0.3724 0.040 Uiso 1 1 calc R .
C61 C 0.83713(5) 1.00232(15) 0.32090(8) 0.0251(5) Uani 1 1 d . .
C62 C 0.76416(5) 0.99480(16) 0.20841(7) 0.0250(5) Uani 1 1 d . .
H62A H 0.7744 1.0153 0.1973 0.037 Uiso 1 1 calc R .
H62B H 0.7485 1.0369 0.2009 0.037 Uiso 1 1 calc R .
H62C H 0.7552 0.9370 0.1965 0.037 Uiso 1 1 calc R .
C63 C 0.86958(5) 1.02478(17) 0.34433(8) 0.0343(6) Uani 1 1 d . .
H63A H 0.8773 0.9941 0.3315 0.051 Uiso 1 1 calc R .
H63B H 0.8809 1.0064 0.3736 0.051 Uiso 1 1 calc R .
H63C H 0.8717 1.0885 0.3431 0.051 Uiso 1 1 calc R .
C64 C 0.77821(5) 0.96617(14) 0.13190(7) 0.0175(5) Uani 1 1 d . .
C65 C 0.78366(5) 1.05575(15) 0.13243(7) 0.0203(5) Uani 1 1 d . .
C66 C 0.76164(5) 1.11459(15) 0.12467(7) 0.0245(5) Uani 1 1 d . .
H66 H 0.7654 1.1762 0.1271 0.029 Uiso 1 1 calc R .
C67 C 0.73460(5) 1.08434(16) 0.11353(7) 0.0258(5) Uani 1 1 d . .
H67 H 0.7198 1.1250 0.1079 0.031 Uiso 1 1 calc R .
C68 C 0.72915(5) 0.99450(16) 0.11064(7) 0.0239(5) Uani 1 1 d . .
H68 H 0.7103 0.9742 0.1020 0.029 Uiso 1 1 calc R .
C69 C 0.75089(5) 0.93354(14) 0.12015(7) 0.0187(5) Uani 1 1 d . .
C70 C 0.81046(5) 1.09200(16) 0.13735(8) 0.0272(6) Uani 1 1 d . .
H70A H 0.8265 1.0481 0.1513 0.041 Uiso 1 1 calc R .
H70B H 0.8174 1.1458 0.1543 0.041 Uiso 1 1 calc R .
H70C H 0.8048 1.1056 0.1097 0.041 Uiso 1 1 calc R .
C71 C 0.74514(5) 0.83653(15) 0.11737(8) 0.0252(5) Uani 1 1 d . .
H71A H 0.7248 0.8264 0.1078 0.038 Uiso 1 1 calc R .
H71B H 0.7595 0.8097 0.1450 0.038 Uiso 1 1 calc R .
H71C H 0.7474 0.8100 0.0975 0.038 Uiso 1 1 calc R .
C72 C 0.78879(5) 0.65007(13) 0.19425(7) 0.0184(5) Uani 1 1 d . .
C73 C 0.77439(5) 0.66364(14) 0.21192(8) 0.0241(5) Uani 1 1 d . .
C74 C 0.74312(5) 0.65671(15) 0.18475(9) 0.0306(6) Uani 1 1 d . .
H74 H 0.7323 0.6664 0.1953 0.037 Uiso 1 1 calc R .
C75 C 0.72767(5) 0.63606(16) 0.14296(9) 0.0350(7) Uani 1 1 d . .
H75 H 0.7065 0.6307 0.1253 0.042 Uiso 1 1 calc R .
C76 C 0.74270(5) 0.62309(15) 0.12660(8) 0.0304(6) Uani 1 1 d . .
H76 H 0.7318 0.6096 0.0977 0.037 Uiso 1 1 calc R .
C77 C 0.77388(5) 0.62972(14) 0.15225(8) 0.0241(5) Uani 1 1 d . .
C78 C 0.79102(6) 0.68345(17) 0.25759(8) 0.0309(6) Uani 1 1 d . .
H78A H 0.8092 0.6474 0.2743 0.046 Uiso 1 1 calc R .
H78B H 0.7782 0.6700 0.2655 0.046 Uiso 1 1 calc R .
H78C H 0.7965 0.7459 0.2628 0.046 Uiso 1 1 calc R .
C79 C 0.79033(6) 0.61520(17) 0.13444(8) 0.0304(6) Uani 1 1 d . .
H79A H 0.8015 0.6685 0.1384 0.046 Uiso 1 1 calc R .
H79B H 0.7759 0.6020 0.1045 0.046 Uiso 1 1 calc R .
H79C H 0.8042 0.5657 0.1489 0.046 Uiso 1 1 calc R .
C80 C 0.86718(5) 0.80947(14) 0.32639(7) 0.0188(5) Uani 1 1 d . .
B1 B 0.98856(5) 0.26985(16) 0.92504(8) 0.0170(5) Uani 1 1 d . .
C81 C 0.97216(5) 0.17328(14) 0.90856(7) 0.0190(5) Uani 1 1 d . .
C82 C 0.97235(5) 0.11828(14) 0.88092(7) 0.0208(5) Uani 1 1 d . .
H82 H 0.9818 0.1383 0.8695 0.025 Uiso 1 1 calc R .
C83 C 0.95902(5) 0.03489(15) 0.86963(8) 0.0282(6) Uani 1 1 d . .
H83 H 0.9593 -0.0002 0.8505 0.034 Uiso 1 1 calc R .
C84 C 0.94547(5) 0.00327(15) 0.88598(8) 0.0312(6) Uani 1 1 d . .
H84 H 0.9366 -0.0536 0.8784 0.037 Uiso 1 1 calc R .
C85 C 0.94494(5) 0.05541(16) 0.91361(8) 0.0302(6) Uani 1 1 d . .
H85 H 0.9357 0.0343 0.9252 0.036 Uiso 1 1 calc R .
C86 C 0.95793(5) 0.13850(15) 0.92427(8) 0.0240(5) Uani 1 1 d . .
H86 H 0.9572 0.1734 0.9430 0.029 Uiso 1 1 calc R .
C87 C 1.01961(5) 0.25923(14) 0.97332(7) 0.0167(5) Uani 1 1 d . .
C88 C 1.02914(5) 0.18035(15) 0.99649(7) 0.0203(5) Uani 1 1 d . .
H88 H 1.0164 0.1304 0.9845 0.024 Uiso 1 1 calc R .
C89 C 1.05646(5) 0.17253(16) 1.03619(8) 0.0258(5) Uani 1 1 d . .
H89 H 1.0620 0.1177 1.0504 0.031 Uiso 1 1 calc R .
C90 C 1.07565(5) 0.24345(16) 1.05520(8) 0.0237(5) Uani 1 1 d . .
H90 H 1.0943 0.2379 1.0824 0.028 Uiso 1 1 calc R .
C91 C 1.06720(5) 0.32289(15) 1.03382(7) 0.0222(5) Uani 1 1 d . .
H91 H 1.0800 0.3727 1.0465 0.027 Uiso 1 1 calc R .
C92 C 1.03995(5) 0.32976(14) 0.99378(7) 0.0182(5) Uani 1 1 d . .
H92 H 1.0348 0.3846 0.9796 0.022 Uiso 1 1 calc R .
C93 C 0.96465(5) 0.33891(14) 0.92164(7) 0.0167(5) Uani 1 1 d . .
C94 C 0.97212(5) 0.40668(14) 0.95022(7) 0.0180(5) Uani 1 1 d . .
H94 H 0.9924 0.4126 0.9745 0.022 Uiso 1 1 calc R .
C95 C 0.95104(5) 0.46566(14) 0.94449(7) 0.0187(5) Uani 1 1 d . .
H95 H 0.9572 0.5104 0.9647 0.022 Uiso 1 1 calc R .
C96 C 0.92130(5) 0.45972(14) 0.90972(7) 0.0193(5) Uani 1 1 d . .
H96 H 0.9069 0.4997 0.9059 0.023 Uiso 1 1 calc R .
C97 C 0.91288(5) 0.39414(14) 0.88049(7) 0.0187(5) Uani 1 1 d . .
H97 H 0.8926 0.3894 0.8562 0.022 Uiso 1 1 calc R .
C98 C 0.93407(5) 0.33519(14) 0.88658(7) 0.0180(5) Uani 1 1 d . .
H98 H 0.9276 0.2905 0.8662 0.022 Uiso 1 1 calc R .
C99 C 0.99769(5) 0.30699(14) 0.89607(7) 0.0163(4) Uani 1 1 d . .
C100 C 0.98100(5) 0.36965(14) 0.86404(7) 0.0183(5) Uani 1 1 d . .
H100 H 0.9634 0.3927 0.8586 0.022 Uiso 1 1 calc R .
C101 C 0.98914(5) 0.39971(15) 0.83978(7) 0.0219(5) Uani 1 1 d . .
H101 H 0.9770 0.4416 0.8182 0.026 Uiso 1 1 calc R .
C102 C 1.01493(5) 0.36827(15) 0.84733(8) 0.0241(5) Uani 1 1 d . .
H102 H 1.0209 0.3894 0.8314 0.029 Uiso 1 1 calc R .
C103 C 1.03204(5) 0.30553(16) 0.87845(8) 0.0234(5) Uani 1 1 d . .
H103 H 1.0496 0.2827 0.8835 0.028 Uiso 1 1 calc R .
C104 C 1.02352(5) 0.27610(15) 0.90212(7) 0.0212(5) Uani 1 1 d . .
H104 H 1.0356 0.2333 0.9233 0.025 Uiso 1 1 calc R .
B2 B 0.90229(6) 0.67293(16) 0.74438(8) 0.0191(5) Uani 1 1 d . .
C105 C 0.86553(5) 0.66051(14) 0.71513(7) 0.0208(5) Uani 1 1 d . .
C106 C 0.84978(5) 0.66641(14) 0.73144(8) 0.0234(5) Uani 1 1 d . .
H106 H 0.8608 0.6751 0.7607 0.028 Uiso 1 1 calc R .
C107 C 0.81871(5) 0.66007(15) 0.70645(8) 0.0280(6) Uani 1 1 d . .
H107 H 0.8090 0.6656 0.7188 0.034 Uiso 1 1 calc R .
C108 C 0.80193(6) 0.64568(15) 0.66367(9) 0.0314(6) Uani 1 1 d . .
H108 H 0.7808 0.6413 0.6465 0.038 Uiso 1 1 calc R .
C109 C 0.81665(5) 0.63789(15) 0.64639(8) 0.0302(6) Uani 1 1 d . .
H109 H 0.8055 0.6280 0.6172 0.036 Uiso 1 1 calc R .
C110 C 0.84774(5) 0.64461(15) 0.67190(8) 0.0257(5) Uani 1 1 d . .
H110 H 0.8573 0.6381 0.6594 0.031 Uiso 1 1 calc R .
C111 C 0.91715(5) 0.59456(14) 0.73413(7) 0.0203(5) Uani 1 1 d . .
C112 C 0.90397(5) 0.51221(15) 0.71700(8) 0.0246(5) Uani 1 1 d . .
H112 H 0.8846 0.5012 0.7089 0.029 Uiso 1 1 calc R .
C113 C 0.91815(6) 0.44590(16) 0.71142(8) 0.0288(6) Uani 1 1 d . .
H113 H 0.9082 0.3916 0.6990 0.035 Uiso 1 1 calc R .
C114 C 0.94667(6) 0.45877(17) 0.72389(9) 0.0342(6) Uani 1 1 d . .
H114 H 0.9566 0.4133 0.7207 0.041 Uiso 1 1 calc R .
C115 C 0.96051(6) 0.53893(18) 0.74107(9) 0.0359(6) Uani 1 1 d . .
H115 H 0.9801 0.5489 0.7497 0.043 Uiso 1 1 calc R .
C116 C 0.94589(5) 0.60474(17) 0.74573(8) 0.0285(6) Uani 1 1 d . .
H116 H 0.9558 0.6594 0.7574 0.034 Uiso 1 1 calc R .
C117 C 0.91704(5) 0.66669(14) 0.79399(7) 0.0196(5) Uani 1 1 d . .
C118 C 0.92884(4) 0.58816(14) 0.81706(7) 0.0175(5) Uani 1 1 d . .
H118 H 0.9302 0.5384 0.8041 0.021 Uiso 1 1 calc R .
C119 C 0.93865(4) 0.57969(14) 0.85797(7) 0.0187(5) Uani 1 1 d . .
H119 H 0.9463 0.5249 0.8722 0.022 Uiso 1 1 calc R .
C120 C 0.93730(5) 0.65139(14) 0.87801(7) 0.0197(5) Uani 1 1 d . .
H120 H 0.9435 0.6458 0.9057 0.024 Uiso 1 1 calc R .
C121 C 0.92674(5) 0.73112(15) 0.85710(7) 0.0219(5) Uani 1 1 d . .
H121 H 0.9263 0.7812 0.8707 0.026 Uiso 1 1 calc R .
C122 C 0.91686(5) 0.73784(15) 0.81620(7) 0.0235(5) Uani 1 1 d . .
H122 H 0.9096 0.7932 0.8025 0.028 Uiso 1 1 calc R .
C123 C 0.91086(5) 0.76810(14) 0.73421(7) 0.0200(5) Uani 1 1 d . .
C124 C 0.93753(5) 0.81305(15) 0.76484(8) 0.0263(5) Uani 1 1 d . .
H124 H 0.9495 0.7917 0.7928 0.032 Uiso 1 1 calc R .
C125 C 0.94720(5) 0.88736(16) 0.75606(8) 0.0286(6) Uani 1 1 d . .
H125 H 0.9656 0.9144 0.7778 0.034 Uiso 1 1 calc R .
C126 C 0.93018(5) 0.92207(15) 0.71597(8) 0.0237(5) Uani 1 1 d . .
H126 H 0.9367 0.9727 0.7098 0.028 Uiso 1 1 calc R .
C127 C 0.90336(5) 0.88108(15) 0.68498(8) 0.0223(5) Uani 1 1 d . .
H127 H 0.8911 0.9045 0.6574 0.027 Uiso 1 1 calc R .
C128 C 0.89417(5) 0.80591(14) 0.69399(7) 0.0194(5) Uani 1 1 d . .
H128 H 0.8758 0.7790 0.6720 0.023 Uiso 1 1 calc R .
B3 B 0.84033(5) 0.25754(16) 0.53693(8) 0.0165(5) Uani 1 1 d . .
C129 C 0.86920(4) 0.22779(14) 0.58457(7) 0.0165(4) Uani 1 1 d . .
C130 C 0.89276(5) 0.28659(15) 0.61215(7) 0.0202(5) Uani 1 1 d . .
H130 H 0.8909 0.3461 0.6036 0.024 Uiso 1 1 calc R .
C131 C 0.91854(5) 0.26148(16) 0.65122(7) 0.0225(5) Uani 1 1 d . .
H131 H 0.9340 0.3032 0.6683 0.027 Uiso 1 1 calc R .
C132 C 0.92176(5) 0.17592(16) 0.66525(7) 0.0239(5) Uani 1 1 d . .
H132 H 0.9394 0.1581 0.6917 0.029 Uiso 1 1 calc R .
C133 C 0.89868(5) 0.11709(15) 0.63985(7) 0.0230(5) Uani 1 1 d . .
H133 H 0.9002 0.0586 0.6493 0.028 Uiso 1 1 calc R .
C134 C 0.87322(5) 0.14247(14) 0.60063(7) 0.0190(5) Uani 1 1 d . .
H134 H 0.8578 0.1002 0.5839 0.023 Uiso 1 1 calc R .
C135 C 0.81428(5) 0.18077(14) 0.51513(7) 0.0165(5) Uani 1 1 d . .
C136 C 0.78655(5) 0.19032(14) 0.50691(7) 0.0185(5) Uani 1 1 d . .
H136 H 0.7823 0.2443 0.5141 0.022 Uiso 1 1 calc R .
C137 C 0.76498(5) 0.12386(15) 0.48861(7) 0.0223(5) Uani 1 1 d . .
H137 H 0.7464 0.1332 0.4833 0.027 Uiso 1 1 calc R .
C138 C 0.77072(5) 0.04434(15) 0.47817(7) 0.0232(5) Uani 1 1 d . .
H138 H 0.7562 -0.0013 0.4659 0.028 Uiso 1 1 calc R .
C139 C 0.79784(5) 0.03188(15) 0.48574(7) 0.0231(5) Uani 1 1 d . .
H139 H 0.8020 -0.0225 0.4787 0.028 Uiso 1 1 calc R .
C140 C 0.81897(5) 0.09907(14) 0.50372(7) 0.0210(5) Uani 1 1 d . .
H140 H 0.8374 0.0893 0.5085 0.025 Uiso 1 1 calc R .
C141 C 0.85096(4) 0.27128(13) 0.50732(7) 0.0163(4) Uani 1 1 d . .
C142 C 0.83043(5) 0.26182(15) 0.46361(7) 0.0222(5) Uani 1 1 d . .
H142 H 0.8107 0.2426 0.4516 0.027 Uiso 1 1 calc R .
C143 C 0.83751(5) 0.27915(16) 0.43708(8) 0.0252(5) Uani 1 1 d . .
H143 H 0.8226 0.2735 0.4076 0.030 Uiso 1 1 calc R .
C144 C 0.86632(5) 0.30471(15) 0.45342(8) 0.0234(5) Uani 1 1 d . .
H144 H 0.8713 0.3167 0.4354 0.028 Uiso 1 1 calc R .
C145 C 0.88756(5) 0.31230(15) 0.49636(7) 0.0215(5) Uani 1 1 d . .
H145 H 0.9075 0.3283 0.5082 0.026 Uiso 1 1 calc R .
C146 C 0.87980(5) 0.29654(14) 0.52231(7) 0.0184(5) Uani 1 1 d . .
H146 H 0.8948 0.3032 0.5517 0.022 Uiso 1 1 calc R .
C147 C 0.82598(4) 0.35082(14) 0.53830(7) 0.0167(5) Uani 1 1 d . .
C148 C 0.80580(5) 0.40053(14) 0.50180(7) 0.0193(5) Uani 1 1 d . .
H148 H 0.8012 0.3810 0.4762 0.023 Uiso 1 1 calc R .
C149 C 0.79227(5) 0.47677(14) 0.50155(8) 0.0226(5) Uani 1 1 d . .
H149 H 0.7788 0.5083 0.4762 0.027 Uiso 1 1 calc R .
C150 C 0.79835(5) 0.50700(15) 0.53840(8) 0.0241(5) Uani 1 1 d . .
H150 H 0.7892 0.5593 0.5385 0.029 Uiso 1 1 calc R .
C151 C 0.81786(5) 0.46011(15) 0.57501(8) 0.0237(5) Uani 1 1 d . .
H151 H 0.8222 0.4800 0.6005 0.028 Uiso 1 1 calc R .
C152 C 0.83110(5) 0.38359(14) 0.57446(7) 0.0199(5) Uani 1 1 d . .
H152 H 0.8443 0.3520 0.5999 0.024 Uiso 1 1 calc R .
C201 C 0.85718(5) 0.61390(17) 0.82805(8) 0.0298(6) Uani 1 1 d . .
H201 H 0.8744 0.5992 0.8304 0.036 Uiso 1 1 calc R .
C202 C 0.85119(6) 0.70064(18) 0.83048(8) 0.0345(6) Uani 1 1 d . .
H202 H 0.8643 0.7457 0.8343 0.041 Uiso 1 1 calc R .
C203 C 0.82614(6) 0.72244(19) 0.82736(9) 0.0393(7) Uani 1 1 d . .
H203 H 0.8221 0.7822 0.8292 0.047 Uiso 1 1 calc R .
C204 C 0.80714(6) 0.65625(19) 0.82161(9) 0.0398(7) Uani 1 1 d . .
H204 H 0.7900 0.6706 0.8195 0.048 Uiso 1 1 calc R .
C205 C 0.81308(6) 0.56967(18) 0.81897(9) 0.0366(7) Uani 1 1 d . .
H205 H 0.8000 0.5244 0.8149 0.044 Uiso 1 1 calc R .
C206 C 0.83815(5) 0.54874(18) 0.82219(8) 0.0322(6) Uani 1 1 d . .
H206 H 0.8422 0.4890 0.8203 0.039 Uiso 1 1 calc R .
C301 C 0.74169(6) 0.66382(18) 0.48704(9) 0.0380(7) Uani 1 1 d . .
H301 H 0.7360 0.6045 0.4782 0.046 Uiso 1 1 calc R .
C302 C 0.75042(6) 0.71714(18) 0.46869(9) 0.0388(7) Uani 1 1 d . .
H302 H 0.7507 0.6944 0.4471 0.047 Uiso 1 1 calc R .
C303 C 0.75869(6) 0.80244(19) 0.48154(9) 0.0394(7) Uani 1 1 d . .
H303 H 0.7647 0.8388 0.4689 0.047 Uiso 1 1 calc R .
C401 C 0.99806(11) 0.0700(4) 0.76520(15) 0.0293(18) Uani 0.537(9) 1 d PU 1
H401 H 0.9969 0.0160 0.7759 0.035 Uiso 0.537(9) 1 calc PR 1
C402 C 0.99591(12) 0.1500(5) 0.78003(18) 0.0388(17) Uani 0.537(9) 1 d PU 1
H402 H 0.9931 0.1504 0.8009 0.047 Uiso 0.537(9) 1 calc PR 1
C403 C 0.99775(13) 0.2280(4) 0.76480(17) 0.042(2) Uani 0.537(9) 1 d PU 1
H403 H 0.9959 0.2822 0.7747 0.051 Uiso 0.537(9) 1 calc PR 1
C411 C 1.0000 0.2429(6) 0.7500 0.032(3) Uani 0.463(9) 2 d SPU 2
H411 H 1.0000 0.3055 0.7500 0.038 Uiso 0.463(9) 2 calc SPR 2
C412 C 0.99347(14) 0.1969(5) 0.7730(2) 0.0373(19) Uani 0.463(9) 1 d PU 2
H412 H 0.9890 0.2285 0.7887 0.045 Uiso 0.463(9) 1 calc PR 2
C413 C 0.99340(14) 0.1048(5) 0.7735(2) 0.043(2) Uani 0.463(9) 1 d PU 2
H413 H 0.9890 0.0732 0.7894 0.051 Uiso 0.463(9) 1 calc PR 2
C414 C 1.0000 0.0611(6) 0.7500 0.041(3) Uani 0.463(9) 2 d SPU 2
H414 H 1.0000 -0.0015 0.7500 0.049 Uiso 0.463(9) 2 calc SPR 2
N500 N 0.7451(6) 0.894(2) 0.3170(10) 0.096(10) Uani 0.125 1 d P .
C501 C 0.7417(8) 0.826(3) 0.3047(12) 0.089(12) Uani 0.125 1 d P .
C502 C 0.7373(8) 0.738(2) 0.2893(13) 0.084(11) Uani 0.125 1 d P .
H50A H 0.7567 0.7075 0.3048 0.125 Uiso 0.125 1 calc PR .
H50B H 0.7281 0.7394 0.2594 0.125 Uiso 0.125 1 calc PR .
H50C H 0.7241 0.7062 0.2932 0.125 Uiso 0.125 1 calc PR .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 '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
C40 Ag1 C80 174.12(8) . .
N8 Mn1 N9 95.20(8) . .
N8 Mn1 C8 93.23(9) . .
N9 Mn1 C8 170.67(7) . .
N8 Mn1 C3 94.82(9) . .
N9 Mn1 C3 89.87(8) . .
C8 Mn1 C3 93.40(8) . .
N8 Mn1 C13 97.36(9) . .
N9 Mn1 C13 79.95(8) . .
C8 Mn1 C13 95.03(8) . .
C3 Mn1 C13 164.76(8) . .
N8 Mn1 N1 174.04(8) . .
N9 Mn1 N1 90.71(6) . .
C8 Mn1 N1 80.93(7) . .
C3 Mn1 N1 84.47(7) . .
C13 Mn1 N1 84.35(7) . .
N17 Mn2 N18 97.93(9) . .
N17 Mn2 C43 94.60(9) . .
N18 Mn2 C43 87.01(8) . .
N17 Mn2 C48 93.41(9) . .
N18 Mn2 C48 168.62(7) . .
C43 Mn2 C48 93.13(8) . .
N17 Mn2 C53 96.85(9) . .
N18 Mn2 C53 81.38(8) . .
C43 Mn2 C53 164.68(8) . .
C48 Mn2 C53 96.30(8) . .
N17 Mn2 N10 174.52(8) . .
N18 Mn2 N10 87.40(6) . .
C43 Mn2 N10 86.94(7) . .
C48 Mn2 N10 81.25(7) . .
C53 Mn2 N10 82.61(7) . .
C11 N1 C1 107.43(16) . .
C11 N1 C6 109.91(16) . .
C1 N1 C6 106.96(17) . .
C11 N1 Mn1 103.65(12) . .
C1 N1 Mn1 110.97(12) . .
C6 N1 Mn1 117.53(13) . .
C3 N2 C4 111.55(17) . .
C3 N2 C2 123.25(17) . .
C4 N2 C2 123.77(17) . .
C3 N3 C5 110.73(17) . .
C3 N3 C16 125.90(17) . .
C5 N3 C16 119.44(17) . .
C8 N4 C9 111.91(17) . .
C8 N4 C7 125.00(18) . .
C9 N4 C7 122.89(17) . .
C8 N5 C10 111.36(17) . .
C8 N5 C24 129.00(18) . .
C10 N5 C24 119.28(18) . .
C13 N6 C14 111.45(18) . .
C13 N6 C12 129.79(18) . .
C14 N6 C12 118.11(17) . .
C13 N7 C15 111.22(18) . .
C13 N7 C32 129.85(17) . .
C15 N7 C32 118.83(17) . .
C40 N9 Mn1 162.59(17) . .
C46 N10 C51 109.46(16) . .
C46 N10 C41 107.49(17) . .
C51 N10 C41 106.86(16) . .
C46 N10 Mn2 117.22(12) . .
C51 N10 Mn2 106.68(12) . .
C41 N10 Mn2 108.69(12) . .
C43 N11 C44 112.06(18) . .
C43 N11 C42 124.35(18) . .
C44 N11 C42 122.83(18) . .
C43 N12 C45 110.28(18) . .
C43 N12 C56 127.84(17) . .
C45 N12 C56 119.65(18) . .
C48 N13 C49 112.51(18) . .
C48 N13 C47 125.39(18) . .
C49 N13 C47 121.83(18) . .
C48 N14 C50 111.38(17) . .
C48 N14 C64 131.17(18) . .
C50 N14 C64 117.40(17) . .
C53 N15 C54 111.69(18) . .
C53 N15 C52 129.88(18) . .
C54 N15 C52 117.83(17) . .
C53 N16 C55 111.61(17) . .
C53 N16 C72 129.93(17) . .
C55 N16 C72 118.30(17) . .
C80 N18 Mn2 173.65(18) . .
N1 C1 C2 112.20(18) . .
N1 C1 H1A 109.2 . .
C2 C1 H1A 109.2 . .
N1 C1 H1B 109.2 . .
C2 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
N2 C2 C1 110.94(18) . .
N2 C2 H2A 109.5 . .
C1 C2 H2A 109.5 . .
N2 C2 H2B 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 108.0 . .
N2 C3 N3 103.68(17) . .
N2 C3 Mn1 127.85(15) . .
N3 C3 Mn1 127.92(15) . .
C5 C4 N2 106.66(19) . .
C5 C4 H4 126.7 . .
N2 C4 H4 126.7 . .
C4 C5 N3 107.32(18) . .
C4 C5 H5 126.3 . .
N3 C5 H5 126.3 . .
N1 C6 C7 114.75(17) . .
N1 C6 H6A 108.6 . .
C7 C6 H6A 108.6 . .
N1 C6 H6B 108.6 . .
C7 C6 H6B 108.6 . .
H6A C6 H6B 107.6 . .
N4 C7 C6 110.29(17) . .
N4 C7 H7A 109.6 . .
C6 C7 H7A 109.6 . .
N4 C7 H7B 109.6 . .
C6 C7 H7B 109.6 . .
H7A C7 H7B 108.1 . .
N4 C8 N5 102.79(18) . .
N4 C8 Mn1 125.44(15) . .
N5 C8 Mn1 131.62(15) . .
C10 C9 N4 106.90(19) . .
C10 C9 H9 126.5 . .
N4 C9 H9 126.5 . .
C9 C10 N5 107.0(2) . .
C9 C10 H10 126.5 . .
N5 C10 H10 126.5 . .
N1 C11 C12 114.91(18) . .
N1 C11 H11A 108.5 . .
C12 C11 H11A 108.5 . .
N1 C11 H11B 108.5 . .
C12 C11 H11B 108.5 . .
H11A C11 H11B 107.5 . .
N6 C12 C11 118.77(17) . .
N6 C12 H12A 107.6 . .
C11 C12 H12A 107.6 . .
N6 C12 H12B 107.6 . .
C11 C12 H12B 107.6 . .
H12A C12 H12B 107.1 . .
N7 C13 N6 103.42(17) . .
N7 C13 Mn1 128.26(14) . .
N6 C13 Mn1 126.31(15) . .
C15 C14 N6 106.92(19) . .
C15 C14 H14 126.5 . .
N6 C14 H14 126.5 . .
C14 C15 N7 106.98(19) . .
C14 C15 H15 126.5 . .
N7 C15 H15 126.5 . .
C21 C16 C17 122.4(2) . .
C21 C16 N3 121.10(19) . .
C17 C16 N3 116.31(18) . .
C18 C17 C16 117.6(2) . .
C18 C17 C22 120.7(2) . .
C16 C17 C22 121.7(2) . .
C19 C18 C17 121.5(2) . .
C19 C18 H18 119.3 . .
C17 C18 H18 119.3 . .
C20 C19 C18 119.7(2) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C19 C20 C21 121.3(2) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
C16 C21 C20 117.4(2) . .
C16 C21 C23 121.9(2) . .
C20 C21 C23 120.6(2) . .
C17 C22 H22A 109.5 . .
C17 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C17 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C29 122.59(19) . .
C25 C24 N5 117.74(19) . .
C29 C24 N5 118.97(18) . .
C26 C25 C24 117.4(2) . .
C26 C25 C30 118.9(2) . .
C24 C25 C30 123.5(2) . .
C27 C26 C25 121.1(2) . .
C27 C26 H26 119.5 . .
C25 C26 H26 119.5 . .
C28 C27 C26 120.3(2) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 121.0(2) . .
C27 C28 H28 119.5 . .
C29 C28 H28 119.5 . .
C28 C29 C24 117.4(2) . .
C28 C29 C31 120.7(2) . .
C24 C29 C31 121.76(19) . .
C25 C30 H30A 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C25 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C33 C32 C37 123.0(2) . .
C33 C32 N7 117.67(19) . .
C37 C32 N7 118.8(2) . .
C32 C33 C34 117.5(2) . .
C32 C33 C38 122.8(2) . .
C34 C33 C38 119.6(2) . .
C35 C34 C33 120.9(2) . .
C35 C34 H34 119.6 . .
C33 C34 H34 119.6 . .
C34 C35 C36 120.1(2) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C35 C36 C37 121.5(2) . .
C35 C36 H36 119.3 . .
C37 C36 H36 119.3 . .
C36 C37 C32 117.0(2) . .
C36 C37 C39 121.1(2) . .
C32 C37 C39 121.9(2) . .
C33 C38 H38A 109.5 . .
C33 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C33 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N9 C40 Ag1 175.81(18) . .
N10 C41 C42 112.52(18) . .
N10 C41 H41A 109.1 . .
C42 C41 H41A 109.1 . .
N10 C41 H41B 109.1 . .
C42 C41 H41B 109.1 . .
H41A C41 H41B 107.8 . .
N11 C42 C41 111.30(18) . .
N11 C42 H42A 109.4 . .
C41 C42 H42A 109.4 . .
N11 C42 H42B 109.4 . .
C41 C42 H42B 109.4 . .
H42A C42 H42B 108.0 . .
N11 C43 N12 103.61(17) . .
N11 C43 Mn2 126.97(15) . .
N12 C43 Mn2 129.20(15) . .
C45 C44 N11 106.6(2) . .
C45 C44 H44 126.7 . .
N11 C44 H44 126.7 . .
C44 C45 N12 107.4(2) . .
C44 C45 H45 126.3 . .
N12 C45 H45 126.3 . .
N10 C46 C47 114.96(17) . .
N10 C46 H46A 108.5 . .
C47 C46 H46A 108.5 . .
N10 C46 H46B 108.5 . .
C47 C46 H46B 108.5 . .
H46A C46 H46B 107.5 . .
N13 C47 C46 110.57(17) . .
N13 C47 H47A 109.5 . .
C46 C47 H47A 109.5 . .
N13 C47 H47B 109.5 . .
C46 C47 H47B 109.5 . .
H47A C47 H47B 108.1 . .
N13 C48 N14 102.29(18) . .
N13 C48 Mn2 124.88(15) . .
N14 C48 Mn2 132.52(15) . .
C50 C49 N13 106.6(2) . .
C50 C49 H49 126.7 . .
N13 C49 H49 126.7 . .
C49 C50 N14 107.2(2) . .
C49 C50 H50 126.4 . .
N14 C50 H50 126.4 . .
N10 C51 C52 114.10(18) . .
N10 C51 H51A 108.7 . .
C52 C51 H51A 108.7 . .
N10 C51 H51B 108.7 . .
C52 C51 H51B 108.7 . .
H51A C51 H51B 107.6 . .
N15 C52 C51 117.22(17) . .
N15 C52 H52A 108.0 . .
C51 C52 H52A 108.0 . .
N15 C52 H52B 108.0 . .
C51 C52 H52B 108.0 . .
H52A C52 H52B 107.2 . .
N15 C53 N16 102.92(17) . .
N15 C53 Mn2 128.50(15) . .
N16 C53 Mn2 126.46(14) . .
C55 C54 N15 106.90(19) . .
C55 C54 H54 126.5 . .
N15 C54 H54 126.5 . .
C54 C55 N16 106.87(19) . .
C54 C55 H55 126.6 . .
N16 C55 H55 126.6 . .
C57 C56 C61 122.4(2) . .
C57 C56 N12 120.5(2) . .
C61 C56 N12 116.9(2) . .
C56 C57 C58 117.6(2) . .
C56 C57 C62 122.3(2) . .
C58 C57 C62 120.1(2) . .
C59 C58 C57 121.2(2) . .
C59 C58 H58 119.4 . .
C57 C58 H58 119.4 . .
C58 C59 C60 120.0(2) . .
C58 C59 H59 120.0 . .
C60 C59 H59 120.0 . .
C59 C60 C61 121.2(2) . .
C59 C60 H60 119.4 . .
C61 C60 H60 119.4 . .
C60 C61 C56 117.6(2) . .
C60 C61 C63 120.3(2) . .
C56 C61 C63 122.1(2) . .
C57 C62 H62A 109.5 . .
C57 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C57 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 C69 122.62(19) . .
C65 C64 N14 118.73(19) . .
C69 C64 N14 117.75(19) . .
C64 C65 C66 117.3(2) . .
C64 C65 C70 123.6(2) . .
C66 C65 C70 118.8(2) . .
C67 C66 C65 121.1(2) . .
C67 C66 H66 119.4 . .
C65 C66 H66 119.4 . .
C66 C67 C68 119.9(2) . .
C66 C67 H67 120.0 . .
C68 C67 H67 120.0 . .
C67 C68 C69 121.1(2) . .
C67 C68 H68 119.5 . .
C69 C68 H68 119.5 . .
C68 C69 C64 117.7(2) . .
C68 C69 C71 121.2(2) . .
C64 C69 C71 121.11(19) . .
C65 C70 H70A 109.5 . .
C65 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C65 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C69 C71 H71A 109.5 . .
C69 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C69 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C77 C72 C73 123.7(2) . .
C77 C72 N16 117.07(19) . .
C73 C72 N16 118.6(2) . .
C72 C73 C74 116.4(2) . .
C72 C73 C78 122.7(2) . .
C74 C73 C78 120.8(2) . .
C75 C74 C73 121.3(2) . .
C75 C74 H74 119.4 . .
C73 C74 H74 119.4 . .
C74 C75 C76 120.6(2) . .
C74 C75 H75 119.7 . .
C76 C75 H75 119.7 . .
C75 C76 C77 120.5(3) . .
C75 C76 H76 119.8 . .
C77 C76 H76 119.8 . .
C72 C77 C76 117.5(2) . .
C72 C77 C79 122.0(2) . .
C76 C77 C79 120.5(2) . .
C73 C78 H78A 109.5 . .
C73 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C73 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C77 C79 H79A 109.5 . .
C77 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C77 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
N18 C80 Ag1 175.26(19) . .
C81 B1 C87 108.61(18) . .
C81 B1 C99 111.36(18) . .
C87 B1 C99 107.66(17) . .
C81 B1 C93 107.59(16) . .
C87 B1 C93 112.58(18) . .
C99 B1 C93 109.08(18) . .
C82 C81 C86 115.4(2) . .
C82 C81 B1 125.1(2) . .
C86 C81 B1 119.5(2) . .
C83 C82 C81 122.1(2) . .
C83 C82 H82 119.0 . .
C81 C82 H82 119.0 . .
C84 C83 C82 120.6(2) . .
C84 C83 H83 119.7 . .
C82 C83 H83 119.7 . .
C83 C84 C85 119.2(2) . .
C83 C84 H84 120.4 . .
C85 C84 H84 120.4 . .
C84 C85 C86 119.8(2) . .
C84 C85 H85 120.1 . .
C86 C85 H85 120.1 . .
C85 C86 C81 123.0(2) . .
C85 C86 H86 118.5 . .
C81 C86 H86 118.5 . .
C88 C87 C92 114.6(2) . .
C88 C87 B1 124.44(19) . .
C92 C87 B1 120.88(19) . .
C89 C88 C87 122.7(2) . .
C89 C88 H88 118.6 . .
C87 C88 H88 118.6 . .
C90 C89 C88 120.9(2) . .
C90 C89 H89 119.6 . .
C88 C89 H89 119.6 . .
C89 C90 C91 118.7(2) . .
C89 C90 H90 120.7 . .
C91 C90 H90 120.7 . .
C90 C91 C92 120.0(2) . .
C90 C91 H91 120.0 . .
C92 C91 H91 120.0 . .
C91 C92 C87 123.1(2) . .
C91 C92 H92 118.4 . .
C87 C92 H92 118.4 . .
C94 C93 C98 114.65(19) . .
C94 C93 B1 125.55(19) . .
C98 C93 B1 119.72(19) . .
C95 C94 C93 122.8(2) . .
C95 C94 H94 118.6 . .
C93 C94 H94 118.6 . .
C96 C95 C94 120.7(2) . .
C96 C95 H95 119.6 . .
C94 C95 H95 119.6 . .
C95 C96 C97 118.6(2) . .
C95 C96 H96 120.7 . .
C97 C96 H96 120.7 . .
C96 C97 C98 120.3(2) . .
C96 C97 H97 119.8 . .
C98 C97 H97 119.8 . .
C97 C98 C93 123.0(2) . .
C97 C98 H98 118.5 . .
C93 C98 H98 118.5 . .
C100 C99 C104 115.0(2) . .
C100 C99 B1 124.12(18) . .
C104 C99 B1 120.86(19) . .
C101 C100 C99 123.0(2) . .
C101 C100 H100 118.5 . .
C99 C100 H100 118.5 . .
C102 C101 C100 119.8(2) . .
C102 C101 H101 120.1 . .
C100 C101 H101 120.1 . .
C101 C102 C103 119.3(2) . .
C101 C102 H102 120.4 . .
C103 C102 H102 120.4 . .
C104 C103 C102 120.1(2) . .
C104 C103 H103 120.0 . .
C102 C103 H103 120.0 . .
C103 C104 C99 122.8(2) . .
C103 C104 H104 118.6 . .
C99 C104 H104 118.6 . .
C117 B2 C111 108.29(18) . .
C117 B2 C123 110.52(18) . .
C111 B2 C123 106.94(18) . .
C117 B2 C105 109.66(19) . .
C111 B2 C105 110.56(18) . .
C123 B2 C105 110.81(18) . .
C110 C105 C106 115.0(2) . .
C110 C105 B2 122.2(2) . .
C106 C105 B2 122.9(2) . .
C107 C106 C105 122.8(2) . .
C107 C106 H106 118.6 . .
C105 C106 H106 118.6 . .
C108 C107 C106 120.3(2) . .
C108 C107 H107 119.8 . .
C106 C107 H107 119.8 . .
C107 C108 C109 118.8(2) . .
C107 C108 H108 120.6 . .
C109 C108 H108 120.6 . .
C108 C109 C110 120.0(3) . .
C108 C109 H109 120.0 . .
C110 C109 H109 120.0 . .
C109 C110 C105 123.1(2) . .
C109 C110 H110 118.4 . .
C105 C110 H110 118.4 . .
C116 C111 C112 114.9(2) . .
C116 C111 B2 120.4(2) . .
C112 C111 B2 124.6(2) . .
C113 C112 C111 122.7(2) . .
C113 C112 H112 118.7 . .
C111 C112 H112 118.7 . .
C114 C113 C112 120.2(2) . .
C114 C113 H113 119.9 . .
C112 C113 H113 119.9 . .
C113 C114 C115 118.9(2) . .
C113 C114 H114 120.5 . .
C115 C114 H114 120.5 . .
C114 C115 C116 120.1(2) . .
C114 C115 H115 119.9 . .
C116 C115 H115 119.9 . .
C115 C116 C111 123.2(2) . .
C115 C116 H116 118.4 . .
C111 C116 H116 118.4 . .
C118 C117 C122 114.4(2) . .
C118 C117 B2 122.7(2) . .
C122 C117 B2 122.7(2) . .
C119 C118 C117 123.2(2) . .
C119 C118 H118 118.4 . .
C117 C118 H118 118.4 . .
C120 C119 C118 119.9(2) . .
C120 C119 H119 120.0 . .
C118 C119 H119 120.0 . .
C121 C120 C119 119.1(2) . .
C121 C120 H120 120.4 . .
C119 C120 H120 120.4 . .
C120 C121 C122 119.9(2) . .
C120 C121 H121 120.0 . .
C122 C121 H121 120.0 . .
C121 C122 C117 123.3(2) . .
C121 C122 H122 118.3 . .
C117 C122 H122 118.3 . .
C128 C123 C124 114.4(2) . .
C128 C123 B2 123.6(2) . .
C124 C123 B2 121.7(2) . .
C125 C124 C123 123.1(2) . .
C125 C124 H124 118.4 . .
C123 C124 H124 118.4 . .
C126 C125 C124 120.6(2) . .
C126 C125 H125 119.7 . .
C124 C125 H125 119.7 . .
C125 C126 C127 118.3(2) . .
C125 C126 H126 120.9 . .
C127 C126 H126 120.9 . .
C126 C127 C128 120.6(2) . .
C126 C127 H127 119.7 . .
C128 C127 H127 119.7 . .
C127 C128 C123 123.0(2) . .
C127 C128 H128 118.5 . .
C123 C128 H128 118.5 . .
C129 B3 C135 110.47(17) . .
C129 B3 C147 110.53(18) . .
C135 B3 C147 109.03(16) . .
C129 B3 C141 109.87(17) . .
C135 B3 C141 107.96(18) . .
C147 B3 C141 108.92(17) . .
C134 C129 C130 114.4(2) . .
C134 C129 B3 123.78(19) . .
C130 C129 B3 121.78(19) . .
C131 C130 C129 123.1(2) . .
C131 C130 H130 118.5 . .
C129 C130 H130 118.5 . .
C132 C131 C130 120.3(2) . .
C132 C131 H131 119.9 . .
C130 C131 H131 119.9 . .
C133 C132 C131 118.4(2) . .
C133 C132 H132 120.8 . .
C131 C132 H132 120.8 . .
C132 C133 C134 120.8(2) . .
C132 C133 H133 119.6 . .
C134 C133 H133 119.6 . .
C133 C134 C129 122.9(2) . .
C133 C134 H134 118.5 . .
C129 C134 H134 118.5 . .
C136 C135 C140 115.24(19) . .
C136 C135 B3 124.02(19) . .
C140 C135 B3 120.73(18) . .
C137 C136 C135 122.7(2) . .
C137 C136 H136 118.6 . .
C135 C136 H136 118.6 . .
C138 C137 C136 119.9(2) . .
C138 C137 H137 120.0 . .
C136 C137 H137 120.0 . .
C137 C138 C139 119.4(2) . .
C137 C138 H138 120.3 . .
C139 C138 H138 120.3 . .
C138 C139 C140 119.9(2) . .
C138 C139 H139 120.1 . .
C140 C139 H139 120.1 . .
C139 C140 C135 122.9(2) . .
C139 C140 H140 118.6 . .
C135 C140 H140 118.6 . .
C142 C141 C146 114.4(2) . .
C142 C141 B3 120.79(18) . .
C146 C141 B3 124.75(19) . .
C143 C142 C141 123.2(2) . .
C143 C142 H142 118.4 . .
C141 C142 H142 118.4 . .
C142 C143 C144 120.2(2) . .
C142 C143 H143 119.9 . .
C144 C143 H143 119.9 . .
C145 C144 C143 118.7(2) . .
C145 C144 H144 120.6 . .
C143 C144 H144 120.6 . .
C144 C145 C146 120.1(2) . .
C144 C145 H145 120.0 . .
C146 C145 H145 120.0 . .
C145 C146 C141 123.3(2) . .
C145 C146 H146 118.3 . .
C141 C146 H146 118.3 . .
C152 C147 C148 114.8(2) . .
C152 C147 B3 123.53(19) . .
C148 C147 B3 121.5(2) . .
C149 C148 C147 122.9(2) . .
C149 C148 H148 118.5 . .
C147 C148 H148 118.5 . .
C148 C149 C150 120.0(2) . .
C148 C149 H149 120.0 . .
C150 C149 H149 120.0 . .
C151 C150 C149 119.2(2) . .
C151 C150 H150 120.4 . .
C149 C150 H150 120.4 . .
C150 C151 C152 119.8(2) . .
C150 C151 H151 120.1 . .
C152 C151 H151 120.1 . .
C151 C152 C147 123.3(2) . .
C151 C152 H152 118.4 . .
C147 C152 H152 118.4 . .
C206 C201 C202 119.9(2) . .
C206 C201 H201 120.1 . .
C202 C201 H201 120.1 . .
C201 C202 C203 120.4(2) . .
C201 C202 H202 119.8 . .
C203 C202 H202 119.8 . .
C204 C203 C202 119.4(3) . .
C204 C203 H203 120.3 . .
C202 C203 H203 120.3 . .
C205 C204 C203 120.2(2) . .
C205 C204 H204 119.9 . .
C203 C204 H204 119.9 . .
C204 C205 C206 119.9(2) . .
C204 C205 H205 120.0 . .
C206 C205 H205 120.0 . .
C201 C206 C205 120.3(2) . .
C201 C206 H206 119.8 . .
C205 C206 H206 119.8 . .
C302 C301 C303 119.5(3) . 7_666
C302 C301 H301 120.2 . .
C303 C301 H301 120.2 7_666 .
C303 C302 C301 120.2(3) . .
C303 C302 H302 119.9 . .
C301 C302 H302 119.9 . .
C302 C303 C301 120.3(3) . 7_666
C302 C303 H303 119.8 . .
C301 C303 H303 119.8 7_666 .
C401 C401 C402 119.4(4) 2_756 .
C401 C401 H401 120.3 2_756 .
C402 C401 H401 120.3 . .
C403 C402 C401 120.5(5) . .
C403 C402 H402 119.7 . .
C401 C402 H402 119.7 . .
C402 C403 C403 120.1(4) . 2_756
C402 C403 H403 119.9 . .
C403 C403 H403 119.9 2_756 .
C412 C411 C412 119.5(9) . 2_756
C412 C411 H411 120.3 . .
C412 C411 H411 120.3 2_756 .
C411 C412 C413 121.2(7) . .
C411 C412 H412 119.4 . .
C413 C412 H412 119.4 . .
C414 C413 C412 117.5(7) . .
C414 C413 H413 121.2 . .
C412 C413 H413 121.2 . .
C413 C414 C413 123.0(9) . 2_756
C413 C414 H414 118.5 . .
C413 C414 H414 118.5 2_756 .
N500 C501 C502 179(3) . .
C501 C502 H50A 109.5 . .
C501 C502 H50B 109.5 . .
H50A C502 H50B 109.5 . .
C501 C502 H50C 109.5 . .
H50A C502 H50C 109.5 . .
H50B C502 H50C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 C40 2.064(2) .
Ag1 C80 2.066(2) .
Mn1 N8 1.5275(18) .
Mn1 N9 2.0034(19) .
Mn1 C8 2.048(2) .
Mn1 C3 2.050(2) .
Mn1 C13 2.054(2) .
Mn1 N1 2.5041(17) .
Mn2 N17 1.5225(17) .
Mn2 N18 2.0005(19) .
Mn2 C43 2.040(2) .
Mn2 C48 2.066(2) .
Mn2 C53 2.069(2) .
Mn2 N10 2.5169(17) .
N1 C11 1.488(3) .
N1 C1 1.488(3) .
N1 C6 1.496(3) .
N2 C3 1.360(3) .
N2 C4 1.387(3) .
N2 C2 1.466(3) .
N3 C3 1.368(3) .
N3 C5 1.389(3) .
N3 C16 1.450(3) .
N4 C8 1.368(3) .
N4 C9 1.382(3) .
N4 C7 1.466(3) .
N5 C8 1.376(3) .
N5 C10 1.385(3) .
N5 C24 1.455(3) .
N6 C13 1.367(3) .
N6 C14 1.384(3) .
N6 C12 1.469(3) .
N7 C13 1.365(3) .
N7 C15 1.390(3) .
N7 C32 1.452(3) .
N9 C40 1.153(3) .
N10 C46 1.484(3) .
N10 C51 1.488(3) .
N10 C41 1.488(3) .
N11 C43 1.353(3) .
N11 C44 1.382(3) .
N11 C42 1.466(3) .
N12 C43 1.376(3) .
N12 C45 1.392(3) .
N12 C56 1.453(3) .
N13 C48 1.373(3) .
N13 C49 1.379(3) .
N13 C47 1.463(3) .
N14 C48 1.379(3) .
N14 C50 1.391(3) .
N14 C64 1.452(3) .
N15 C53 1.366(3) .
N15 C54 1.391(3) .
N15 C52 1.472(3) .
N16 C53 1.371(3) .
N16 C55 1.390(3) .
N16 C72 1.450(3) .
N18 C80 1.155(3) .
C1 C2 1.518(3) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C4 C5 1.334(3) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.510(3) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C9 C10 1.337(3) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 C12 1.514(3) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C14 C15 1.336(3) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C21 1.391(3) .
C16 C17 1.406(3) .
C17 C18 1.385(3) .
C17 C22 1.509(3) .
C18 C19 1.384(3) .
C18 H18 0.9500 .
C19 C20 1.381(4) .
C19 H19 0.9500 .
C20 C21 1.400(3) .
C20 H20 0.9500 .
C21 C23 1.498(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.396(3) .
C24 C29 1.399(3) .
C25 C26 1.395(3) .
C25 C30 1.511(3) .
C26 C27 1.380(4) .
C26 H26 0.9500 .
C27 C28 1.379(4) .
C27 H27 0.9500 .
C28 C29 1.395(3) .
C28 H28 0.9500 .
C29 C31 1.496(3) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 C33 1.394(3) .
C32 C37 1.399(3) .
C33 C34 1.394(3) .
C33 C38 1.510(3) .
C34 C35 1.382(3) .
C34 H34 0.9500 .
C35 C36 1.384(3) .
C35 H35 0.9500 .
C36 C37 1.389(3) .
C36 H36 0.9500 .
C37 C39 1.506(3) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C41 C42 1.516(3) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C44 C45 1.334(3) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 C47 1.520(3) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C49 C50 1.338(3) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C52 1.507(3) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C54 C55 1.333(3) .
C54 H54 0.9500 .
C55 H55 0.9500 .
C56 C57 1.395(3) .
C56 C61 1.401(3) .
C57 C58 1.397(3) .
C57 C62 1.499(3) .
C58 C59 1.377(4) .
C58 H58 0.9500 .
C59 C60 1.383(4) .
C59 H59 0.9500 .
C60 C61 1.391(4) .
C60 H60 0.9500 .
C61 C63 1.502(3) .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.392(3) .
C64 C69 1.403(3) .
C65 C66 1.406(3) .
C65 C70 1.511(3) .
C66 C67 1.385(3) .
C66 H66 0.9500 .
C67 C68 1.388(3) .
C67 H67 0.9500 .
C68 C69 1.394(3) .
C68 H68 0.9500 .
C69 C71 1.498(3) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 C77 1.390(3) .
C72 C73 1.396(3) .
C73 C74 1.402(3) .
C73 C78 1.501(4) .
C74 C75 1.380(4) .
C74 H74 0.9500 .
C75 C76 1.380(4) .
C75 H75 0.9500 .
C76 C77 1.399(3) .
C76 H76 0.9500 .
C77 C79 1.508(3) .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
B1 C81 1.642(3) .
B1 C87 1.646(3) .
B1 C99 1.649(3) .
B1 C93 1.652(3) .
C81 C82 1.403(3) .
C81 C86 1.405(3) .
C82 C83 1.399(3) .
C82 H82 0.9500 .
C83 C84 1.376(4) .
C83 H83 0.9500 .
C84 C85 1.387(4) .
C84 H84 0.9500 .
C85 C86 1.389(3) .
C85 H85 0.9500 .
C86 H86 0.9500 .
C87 C88 1.408(3) .
C87 C92 1.409(3) .
C88 C89 1.389(3) .
C88 H88 0.9500 .
C89 C90 1.380(3) .
C89 H89 0.9500 .
C90 C91 1.387(3) .
C90 H90 0.9500 .
C91 C92 1.393(3) .
C91 H91 0.9500 .
C92 H92 0.9500 .
C93 C94 1.405(3) .
C93 C98 1.412(3) .
C94 C95 1.395(3) .
C94 H94 0.9500 .
C95 C96 1.382(3) .
C95 H95 0.9500 .
C96 C97 1.388(3) .
C96 H96 0.9500 .
C97 C98 1.394(3) .
C97 H97 0.9500 .
C98 H98 0.9500 .
C99 C100 1.404(3) .
C99 C104 1.410(3) .
C100 C101 1.396(3) .
C100 H100 0.9500 .
C101 C102 1.384(3) .
C101 H101 0.9500 .
C102 C103 1.390(3) .
C102 H102 0.9500 .
C103 C104 1.389(3) .
C103 H103 0.9500 .
C104 H104 0.9500 .
B2 C117 1.636(4) .
B2 C111 1.653(3) .
B2 C123 1.656(3) .
B2 C105 1.657(3) .
C105 C110 1.402(3) .
C105 C106 1.405(3) .
C106 C107 1.394(3) .
C106 H106 0.9500 .
C107 C108 1.387(4) .
C107 H107 0.9500 .
C108 C109 1.388(4) .
C108 H108 0.9500 .
C109 C110 1.394(3) .
C109 H109 0.9500 .
C110 H110 0.9500 .
C111 C116 1.401(3) .
C111 C112 1.402(3) .
C112 C113 1.392(3) .
C112 H112 0.9500 .
C113 C114 1.381(4) .
C113 H113 0.9500 .
C114 C115 1.382(4) .
C114 H114 0.9500 .
C115 C116 1.385(3) .
C115 H115 0.9500 .
C116 H116 0.9500 .
C117 C118 1.404(3) .
C117 C122 1.410(3) .
C118 C119 1.392(3) .
C118 H118 0.9500 .
C119 C120 1.389(3) .
C119 H119 0.9500 .
C120 C121 1.384(3) .
C120 H120 0.9500 .
C121 C122 1.388(3) .
C121 H121 0.9500 .
C122 H122 0.9500 .
C123 C128 1.407(3) .
C123 C124 1.407(3) .
C124 C125 1.394(3) .
C124 H124 0.9500 .
C125 C126 1.384(3) .
C125 H125 0.9500 .
C126 C127 1.387(3) .
C126 H126 0.9500 .
C127 C128 1.394(3) .
C127 H127 0.9500 .
C128 H128 0.9500 .
B3 C129 1.648(3) .
B3 C135 1.648(3) .
B3 C147 1.652(3) .
B3 C141 1.656(3) .
C129 C134 1.404(3) .
C129 C130 1.411(3) .
C130 C131 1.392(3) .
C130 H130 0.9500 .
C131 C132 1.384(3) .
C131 H131 0.9500 .
C132 C133 1.382(3) .
C132 H132 0.9500 .
C133 C134 1.390(3) .
C133 H133 0.9500 .
C134 H134 0.9500 .
C135 C136 1.401(3) .
C135 C140 1.406(3) .
C136 C137 1.396(3) .
C136 H136 0.9500 .
C137 C138 1.383(3) .
C137 H137 0.9500 .
C138 C139 1.385(3) .
C138 H138 0.9500 .
C139 C140 1.390(3) .
C139 H139 0.9500 .
C140 H140 0.9500 .
C141 C142 1.404(3) .
C141 C146 1.404(3) .
C142 C143 1.386(3) .
C142 H142 0.9500 .
C143 C144 1.389(3) .
C143 H143 0.9500 .
C144 C145 1.381(3) .
C144 H144 0.9500 .
C145 C146 1.390(3) .
C145 H145 0.9500 .
C146 H146 0.9500 .
C147 C152 1.398(3) .
C147 C148 1.407(3) .
C148 C149 1.386(3) .
C148 H148 0.9500 .
C149 C150 1.388(3) .
C149 H149 0.9500 .
C150 C151 1.381(3) .
C150 H150 0.9500 .
C151 C152 1.391(3) .
C151 H151 0.9500 .
C152 H152 0.9500 .
C201 C206 1.373(3) .
C201 C202 1.379(4) .
C201 H201 0.9500 .
C202 C203 1.388(4) .
C202 H202 0.9500 .
C203 C204 1.385(4) .
C203 H203 0.9500 .
C204 C205 1.378(4) .
C204 H204 0.9500 .
C205 C206 1.385(3) .
C205 H205 0.9500 .
C206 H206 0.9500 .
C301 C302 1.382(4) .
C301 C303 1.385(4) 7_666
C301 H301 0.9500 .
C302 C303 1.367(4) .
C302 H302 0.9500 .
C303 C301 1.385(4) 7_666
C303 H303 0.9500 .
C401 C401 1.379(10) 2_756
C401 C402 1.394(8) .
C401 H401 0.9500 .
C402 C403 1.369(8) .
C402 H402 0.9500 .
C403 C403 1.373(13) 2_756
C403 H403 0.9500 .
C411 C412 1.387(9) .
C411 C412 1.387(9) 2_756
C411 H411 0.9500 .
C412 C413 1.399(9) .
C412 H412 0.9500 .
C413 C414 1.390(10) .
C413 H413 0.9500 .
C414 C413 1.390(10) 2_756
C414 H414 0.9500 .
N500 C501 1.12(4) .
C501 C502 1.43(4) .
C502 H50A 0.9800 .
C502 H50B 0.9800 .
C502 H50C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N9 Mn1 N1 C11 26.94(13) . .
C8 Mn1 N1 C11 -148.92(13) . .
C3 Mn1 N1 C11 116.73(13) . .
C13 Mn1 N1 C11 -52.89(13) . .
N9 Mn1 N1 C1 -88.10(14) . .
C8 Mn1 N1 C1 96.04(15) . .
C3 Mn1 N1 C1 1.70(14) . .
C13 Mn1 N1 C1 -167.93(15) . .
N9 Mn1 N1 C6 148.39(15) . .
C8 Mn1 N1 C6 -27.47(15) . .
C3 Mn1 N1 C6 -121.81(15) . .
C13 Mn1 N1 C6 68.56(15) . .
N8 Mn1 N9 C40 31.9(6) . .
C3 Mn1 N9 C40 126.7(6) . .
C13 Mn1 N9 C40 -64.7(5) . .
N1 Mn1 N9 C40 -148.8(5) . .
N18 Mn2 N10 C46 154.94(15) . .
C43 Mn2 N10 C46 -117.92(15) . .
C48 Mn2 N10 C46 -24.28(15) . .
C53 Mn2 N10 C46 73.31(15) . .
N18 Mn2 N10 C51 31.90(13) . .
C43 Mn2 N10 C51 119.04(14) . .
C48 Mn2 N10 C51 -147.32(14) . .
C53 Mn2 N10 C51 -49.74(13) . .
N18 Mn2 N10 C41 -83.00(14) . .
C43 Mn2 N10 C41 4.14(14) . .
C48 Mn2 N10 C41 97.78(14) . .
C53 Mn2 N10 C41 -164.63(15) . .
C11 N1 C1 C2 -165.11(18) . .
C6 N1 C1 C2 76.9(2) . .
Mn1 N1 C1 C2 -52.5(2) . .
C3 N2 C2 C1 -41.8(3) . .
C4 N2 C2 C1 123.4(2) . .
N1 C1 C2 N2 82.5(2) . .
C4 N2 C3 N3 -2.1(2) . .
C2 N2 C3 N3 164.73(19) . .
C4 N2 C3 Mn1 169.86(15) . .
C2 N2 C3 Mn1 -23.3(3) . .
C5 N3 C3 N2 2.5(2) . .
C16 N3 C3 N2 -154.78(19) . .
C5 N3 C3 Mn1 -169.40(15) . .
C16 N3 C3 Mn1 33.3(3) . .
N8 Mn1 C3 N2 -137.27(19) . .
N9 Mn1 C3 N2 127.52(19) . .
C8 Mn1 C3 N2 -43.74(19) . .
C13 Mn1 C3 N2 79.8(4) . .
N1 Mn1 C3 N2 36.79(18) . .
N8 Mn1 C3 N3 32.8(2) . .
N9 Mn1 C3 N3 -62.44(19) . .
C8 Mn1 C3 N3 126.30(19) . .
C13 Mn1 C3 N3 -110.2(3) . .
N1 Mn1 C3 N3 -153.17(19) . .
C3 N2 C4 C5 0.9(3) . .
C2 N2 C4 C5 -165.9(2) . .
N2 C4 C5 N3 0.7(2) . .
C3 N3 C5 C4 -2.1(3) . .
C16 N3 C5 C4 156.86(19) . .
C11 N1 C6 C7 100.6(2) . .
C1 N1 C6 C7 -143.09(18) . .
Mn1 N1 C6 C7 -17.6(2) . .
C8 N4 C7 C6 -59.3(3) . .
C9 N4 C7 C6 115.1(2) . .
N1 C6 C7 N4 66.2(2) . .
C9 N4 C8 N5 0.2(2) . .
C7 N4 C8 N5 175.16(18) . .
C9 N4 C8 Mn1 176.17(15) . .
C7 N4 C8 Mn1 -8.9(3) . .
C10 N5 C8 N4 0.2(2) . .
C24 N5 C8 N4 -172.81(19) . .
C10 N5 C8 Mn1 -175.36(16) . .
C24 N5 C8 Mn1 11.6(3) . .
N8 Mn1 C8 N4 -139.41(18) . .
C3 Mn1 C8 N4 125.56(18) . .
C13 Mn1 C8 N4 -41.73(18) . .
N1 Mn1 C8 N4 41.72(17) . .
N8 Mn1 C8 N5 35.3(2) . .
C3 Mn1 C8 N5 -59.7(2) . .
C13 Mn1 C8 N5 132.97(19) . .
N1 Mn1 C8 N5 -143.6(2) . .
C8 N4 C9 C10 -0.6(3) . .
C7 N4 C9 C10 -175.7(2) . .
N4 C9 C10 N5 0.7(3) . .
C8 N5 C10 C9 -0.6(3) . .
C24 N5 C10 C9 173.19(19) . .
C1 N1 C11 C12 -171.51(18) . .
C6 N1 C11 C12 -55.5(2) . .
Mn1 N1 C11 C12 70.95(18) . .
C13 N6 C12 C11 23.1(3) . .
C14 N6 C12 C11 -167.0(2) . .
N1 C11 C12 N6 -56.0(3) . .
C15 N7 C13 N6 -0.9(2) . .
C32 N7 C13 N6 -177.3(2) . .
C15 N7 C13 Mn1 -165.38(16) . .
C32 N7 C13 Mn1 18.2(3) . .
C14 N6 C13 N7 1.2(2) . .
C12 N6 C13 N7 171.6(2) . .
C14 N6 C13 Mn1 166.01(16) . .
C12 N6 C13 Mn1 -23.5(3) . .
N8 Mn1 C13 N7 7.9(2) . .
N9 Mn1 C13 N7 101.9(2) . .
C8 Mn1 C13 N7 -86.0(2) . .
C3 Mn1 C13 N7 150.6(3) . .
N1 Mn1 C13 N7 -166.4(2) . .
N8 Mn1 C13 N6 -153.24(19) . .
N9 Mn1 C13 N6 -59.23(18) . .
C8 Mn1 C13 N6 112.84(19) . .
C3 Mn1 C13 N6 -10.5(4) . .
N1 Mn1 C13 N6 32.50(18) . .
C13 N6 C14 C15 -1.0(3) . .
C12 N6 C14 C15 -172.7(2) . .
N6 C14 C15 N7 0.3(3) . .
C13 N7 C15 C14 0.4(3) . .
C32 N7 C15 C14 177.2(2) . .
C3 N3 C16 C21 -104.3(2) . .
C5 N3 C16 C21 100.2(2) . .
C3 N3 C16 C17 80.1(3) . .
C5 N3 C16 C17 -75.4(2) . .
C21 C16 C17 C18 1.4(3) . .
N3 C16 C17 C18 176.87(18) . .
C21 C16 C17 C22 -179.0(2) . .
N3 C16 C17 C22 -3.5(3) . .
C16 C17 C18 C19 0.5(3) . .
C22 C17 C18 C19 -179.1(2) . .
C17 C18 C19 C20 -1.4(4) . .
C18 C19 C20 C21 0.4(4) . .
C17 C16 C21 C20 -2.3(3) . .
N3 C16 C21 C20 -177.60(19) . .
C17 C16 C21 C23 175.7(2) . .
N3 C16 C21 C23 0.5(3) . .
C19 C20 C21 C16 1.4(3) . .
C19 C20 C21 C23 -176.7(2) . .
C8 N5 C24 C25 99.5(3) . .
C10 N5 C24 C25 -73.0(3) . .
C8 N5 C24 C29 -89.8(3) . .
C10 N5 C24 C29 97.6(2) . .
C29 C24 C25 C26 6.2(3) . .
N5 C24 C25 C26 176.5(2) . .
C29 C24 C25 C30 -168.2(2) . .
N5 C24 C25 C30 2.1(3) . .
C24 C25 C26 C27 -4.5(3) . .
C30 C25 C26 C27 170.2(2) . .
C25 C26 C27 C28 0.8(4) . .
C26 C27 C28 C29 1.6(4) . .
C27 C28 C29 C24 0.0(3) . .
C27 C28 C29 C31 -176.9(2) . .
C25 C24 C29 C28 -4.0(3) . .
N5 C24 C29 C28 -174.17(19) . .
C25 C24 C29 C31 172.8(2) . .
N5 C24 C29 C31 2.6(3) . .
C13 N7 C32 C33 91.3(3) . .
C15 N7 C32 C33 -84.8(2) . .
C13 N7 C32 C37 -97.0(3) . .
C15 N7 C32 C37 86.9(2) . .
C37 C32 C33 C34 1.0(3) . .
N7 C32 C33 C34 172.35(18) . .
C37 C32 C33 C38 178.8(2) . .
N7 C32 C33 C38 -9.9(3) . .
C32 C33 C34 C35 -0.3(3) . .
C38 C33 C34 C35 -178.2(2) . .
C33 C34 C35 C36 -0.3(3) . .
C34 C35 C36 C37 0.3(3) . .
C35 C36 C37 C32 0.3(3) . .
C35 C36 C37 C39 -179.1(2) . .
C33 C32 C37 C36 -1.0(3) . .
N7 C32 C37 C36 -172.23(18) . .
C33 C32 C37 C39 178.4(2) . .
N7 C32 C37 C39 7.1(3) . .
C46 N10 C41 C42 74.1(2) . .
C51 N10 C41 C42 -168.44(18) . .
Mn2 N10 C41 C42 -53.7(2) . .
C43 N11 C42 C41 -44.7(3) . .
C44 N11 C42 C41 124.5(2) . .
N10 C41 C42 N11 84.2(2) . .
C44 N11 C43 N12 -2.1(2) . .
C42 N11 C43 N12 168.12(19) . .
C44 N11 C43 Mn2 172.90(16) . .
C42 N11 C43 Mn2 -16.8(3) . .
C45 N12 C43 N11 2.3(2) . .
C56 N12 C43 N11 -160.4(2) . .
C45 N12 C43 Mn2 -172.57(16) . .
C56 N12 C43 Mn2 24.7(3) . .
N17 Mn2 C43 N11 -143.50(19) . .
N18 Mn2 C43 N11 118.78(19) . .
C48 Mn2 C43 N11 -49.83(19) . .
C53 Mn2 C43 N11 78.2(4) . .
N10 Mn2 C43 N11 31.22(19) . .
N17 Mn2 C43 N12 30.3(2) . .
N18 Mn2 C43 N12 -67.47(19) . .
C48 Mn2 C43 N12 123.9(2) . .
C53 Mn2 C43 N12 -108.1(3) . .
N10 Mn2 C43 N12 -155.0(2) . .
C43 N11 C44 C45 1.2(3) . .
C42 N11 C44 C45 -169.3(2) . .
N11 C44 C45 N12 0.3(3) . .
C43 N12 C45 C44 -1.7(3) . .
C56 N12 C45 C44 162.6(2) . .
C51 N10 C46 C47 99.8(2) . .
C41 N10 C46 C47 -144.51(18) . .
Mn2 N10 C46 C47 -21.8(2) . .
C48 N13 C47 C46 -56.1(3) . .
C49 N13 C47 C46 117.5(2) . .
N10 C46 C47 N13 68.3(2) . .
C49 N13 C48 N14 -0.7(2) . .
C47 N13 C48 N14 173.39(18) . .
C49 N13 C48 Mn2 173.62(15) . .
C47 N13 C48 Mn2 -12.3(3) . .
C50 N14 C48 N13 1.1(2) . .
C64 N14 C48 N13 -176.3(2) . .
C50 N14 C48 Mn2 -172.57(16) . .
C64 N14 C48 Mn2 10.1(3) . .
N17 Mn2 C48 N13 -136.51(18) . .
N18 Mn2 C48 N13 38.3(5) . .
C43 Mn2 C48 N13 128.68(17) . .
C53 Mn2 C48 N13 -39.23(18) . .
N10 Mn2 C48 N13 42.27(17) . .
N17 Mn2 C48 N14 35.9(2) . .
N18 Mn2 C48 N14 -149.3(3) . .
C43 Mn2 C48 N14 -58.9(2) . .
C53 Mn2 C48 N14 133.2(2) . .
N10 Mn2 C48 N14 -145.3(2) . .
C48 N13 C49 C50 0.0(3) . .
C47 N13 C49 C50 -174.28(19) . .
N13 C49 C50 N14 0.6(2) . .
C48 N14 C50 C49 -1.1(3) . .
C64 N14 C50 C49 176.65(18) . .
C46 N10 C51 C52 -56.9(2) . .
C41 N10 C51 C52 -173.00(18) . .
Mn2 N10 C51 C52 70.87(18) . .
C53 N15 C52 C51 28.0(3) . .
C54 N15 C52 C51 -161.8(2) . .
N10 C51 C52 N15 -58.5(3) . .
C54 N15 C53 N16 0.7(2) . .
C52 N15 C53 N16 171.4(2) . .
C54 N15 C53 Mn2 164.73(16) . .
C52 N15 C53 Mn2 -24.5(3) . .
C55 N16 C53 N15 -0.5(2) . .
C72 N16 C53 N15 -175.8(2) . .
C55 N16 C53 Mn2 -165.03(16) . .
C72 N16 C53 Mn2 19.7(3) . .
N17 Mn2 C53 N15 -156.0(2) . .
N18 Mn2 C53 N15 -58.99(19) . .
C43 Mn2 C53 N15 -17.9(4) . .
C48 Mn2 C53 N15 109.77(19) . .
N10 Mn2 C53 N15 29.49(19) . .
N17 Mn2 C53 N16 4.5(2) . .
N18 Mn2 C53 N16 101.56(19) . .
C43 Mn2 C53 N16 142.7(3) . .
C48 Mn2 C53 N16 -89.68(19) . .
N10 Mn2 C53 N16 -169.97(19) . .
C53 N15 C54 C55 -0.6(3) . .
C52 N15 C54 C55 -172.5(2) . .
N15 C54 C55 N16 0.2(3) . .
C53 N16 C55 C54 0.2(3) . .
C72 N16 C55 C54 176.1(2) . .
C43 N12 C56 C57 -97.7(3) . .
C45 N12 C56 C57 101.0(2) . .
C43 N12 C56 C61 87.7(3) . .
C45 N12 C56 C61 -73.6(3) . .
C61 C56 C57 C58 -2.6(3) . .
N12 C56 C57 C58 -176.94(19) . .
C61 C56 C57 C62 175.1(2) . .
N12 C56 C57 C62 0.8(3) . .
C56 C57 C58 C59 1.0(3) . .
C62 C57 C58 C59 -176.9(2) . .
C57 C58 C59 C60 0.6(4) . .
C58 C59 C60 C61 -0.5(4) . .
C59 C60 C61 C56 -1.0(4) . .
C59 C60 C61 C63 177.4(2) . .
C57 C56 C61 C60 2.7(3) . .
N12 C56 C61 C60 177.16(19) . .
C57 C56 C61 C63 -175.8(2) . .
N12 C56 C61 C63 -1.3(3) . .
C48 N14 C64 C65 97.8(3) . .
C50 N14 C64 C65 -79.5(3) . .
C48 N14 C64 C69 -92.9(3) . .
C50 N14 C64 C69 89.9(2) . .
C69 C64 C65 C66 6.2(3) . .
N14 C64 C65 C66 175.0(2) . .
C69 C64 C65 C70 -168.7(2) . .
N14 C64 C65 C70 0.1(3) . .
C64 C65 C66 C67 -5.2(3) . .
C70 C65 C66 C67 169.9(2) . .
C65 C66 C67 C68 1.2(4) . .
C66 C67 C68 C69 2.2(4) . .
C67 C68 C69 C64 -1.3(3) . .
C67 C68 C69 C71 179.6(2) . .
C65 C64 C69 C68 -3.0(3) . .
N14 C64 C69 C68 -172.0(2) . .
C65 C64 C69 C71 176.1(2) . .
N14 C64 C69 C71 7.2(3) . .
C53 N16 C72 C77 93.1(3) . .
C55 N16 C72 C77 -81.9(3) . .
C53 N16 C72 C73 -95.7(3) . .
C55 N16 C72 C73 89.3(3) . .
C77 C72 C73 C74 -0.7(3) . .
N16 C72 C73 C74 -171.23(19) . .
C77 C72 C73 C78 178.5(2) . .
N16 C72 C73 C78 8.0(3) . .
C72 C73 C74 C75 1.1(3) . .
C78 C73 C74 C75 -178.1(2) . .
C73 C74 C75 C76 -1.1(4) . .
C74 C75 C76 C77 0.7(4) . .
C73 C72 C77 C76 0.3(3) . .
N16 C72 C77 C76 171.00(19) . .
C73 C72 C77 C79 -179.8(2) . .
N16 C72 C77 C79 -9.1(3) . .
C75 C76 C77 C72 -0.3(3) . .
C75 C76 C77 C79 179.8(2) . .
C87 B1 C81 C82 -103.2(2) . .
C99 B1 C81 C82 15.2(3) . .
C93 B1 C81 C82 134.6(2) . .
C87 B1 C81 C86 73.2(2) . .
C99 B1 C81 C86 -168.44(19) . .
C93 B1 C81 C86 -49.0(3) . .
C86 C81 C82 C83 0.5(3) . .
B1 C81 C82 C83 177.0(2) . .
C81 C82 C83 C84 -0.9(3) . .
C82 C83 C84 C85 0.5(4) . .
C83 C84 C85 C86 0.2(4) . .
C84 C85 C86 C81 -0.6(4) . .
C82 C81 C86 C85 0.2(3) . .
B1 C81 C86 C85 -176.5(2) . .
C81 B1 C87 C88 -2.9(3) . .
C99 B1 C87 C88 -123.5(2) . .
C93 B1 C87 C88 116.2(2) . .
C81 B1 C87 C92 173.00(18) . .
C99 B1 C87 C92 52.3(3) . .
C93 B1 C87 C92 -68.0(2) . .
C92 C87 C88 C89 -0.4(3) . .
B1 C87 C88 C89 175.7(2) . .
C87 C88 C89 C90 0.8(4) . .
C88 C89 C90 C91 -0.2(3) . .
C89 C90 C91 C92 -0.7(3) . .
C90 C91 C92 C87 1.1(3) . .
C88 C87 C92 C91 -0.6(3) . .
B1 C87 C92 C91 -176.8(2) . .
C81 B1 C93 C94 143.1(2) . .
C87 B1 C93 C94 23.5(3) . .
C99 B1 C93 C94 -95.9(2) . .
C81 B1 C93 C98 -40.3(3) . .
C87 B1 C93 C98 -159.89(19) . .
C99 B1 C93 C98 80.7(2) . .
C98 C93 C94 C95 0.0(3) . .
B1 C93 C94 C95 176.7(2) . .
C93 C94 C95 C96 0.0(3) . .
C94 C95 C96 C97 -0.4(3) . .
C95 C96 C97 C98 0.8(3) . .
C96 C97 C98 C93 -0.8(3) . .
C94 C93 C98 C97 0.4(3) . .
B1 C93 C98 C97 -176.6(2) . .
C81 B1 C99 C100 100.1(2) . .
C87 B1 C99 C100 -141.0(2) . .
C93 B1 C99 C100 -18.5(3) . .
C81 B1 C99 C104 -79.5(2) . .
C87 B1 C99 C104 39.4(3) . .
C93 B1 C99 C104 161.87(19) . .
C104 C99 C100 C101 0.0(3) . .
B1 C99 C100 C101 -179.6(2) . .
C99 C100 C101 C102 -0.9(3) . .
C100 C101 C102 C103 1.4(3) . .
C101 C102 C103 C104 -1.1(3) . .
C102 C103 C104 C99 0.2(4) . .
C100 C99 C104 C103 0.4(3) . .
B1 C99 C104 C103 180.0(2) . .
C117 B2 C105 C110 -166.5(2) . .
C111 B2 C105 C110 -47.1(3) . .
C123 B2 C105 C110 71.3(3) . .
C117 B2 C105 C106 14.6(3) . .
C111 B2 C105 C106 133.9(2) . .
C123 B2 C105 C106 -107.7(2) . .
C110 C105 C106 C107 -2.1(3) . .
B2 C105 C106 C107 176.9(2) . .
C105 C106 C107 C108 1.3(3) . .
C106 C107 C108 C109 -0.1(3) . .
C107 C108 C109 C110 -0.1(4) . .
C108 C109 C110 C105 -1.0(4) . .
C106 C105 C110 C109 2.0(3) . .
B2 C105 C110 C109 -177.0(2) . .
C117 B2 C111 C116 -77.9(3) . .
C123 B2 C111 C116 41.2(3) . .
C105 B2 C111 C116 162.0(2) . .
C117 B2 C111 C112 96.7(3) . .
C123 B2 C111 C112 -144.2(2) . .
C105 B2 C111 C112 -23.5(3) . .
C116 C111 C112 C113 -0.8(3) . .
B2 C111 C112 C113 -175.6(2) . .
C111 C112 C113 C114 1.7(4) . .
C112 C113 C114 C115 -1.4(4) . .
C113 C114 C115 C116 0.3(4) . .
C114 C115 C116 C111 0.6(4) . .
C112 C111 C116 C115 -0.4(4) . .
B2 C111 C116 C115 174.7(2) . .
C111 B2 C117 C118 -25.6(3) . .
C123 B2 C117 C118 -142.4(2) . .
C105 B2 C117 C118 95.1(2) . .
C111 B2 C117 C122 159.4(2) . .
C123 B2 C117 C122 42.6(3) . .
C105 B2 C117 C122 -79.8(3) . .
C122 C117 C118 C119 2.1(3) . .
B2 C117 C118 C119 -173.3(2) . .
C117 C118 C119 C120 -0.7(3) . .
C118 C119 C120 C121 -1.4(3) . .
C119 C120 C121 C122 1.9(3) . .
C120 C121 C122 C117 -0.4(3) . .
C118 C117 C122 C121 -1.6(3) . .
B2 C117 C122 C121 173.8(2) . .
C117 B2 C123 C128 -157.8(2) . .
C111 B2 C123 C128 84.6(2) . .
C105 B2 C123 C128 -36.0(3) . .
C117 B2 C123 C124 29.1(3) . .
C111 B2 C123 C124 -88.6(3) . .
C105 B2 C123 C124 150.9(2) . .
C128 C123 C124 C125 -1.8(3) . .
B2 C123 C124 C125 171.9(2) . .
C123 C124 C125 C126 1.5(4) . .
C124 C125 C126 C127 0.1(4) . .
C125 C126 C127 C128 -1.2(3) . .
C126 C127 C128 C123 0.8(3) . .
C124 C123 C128 C127 0.7(3) . .
B2 C123 C128 C127 -172.9(2) . .
C135 B3 C129 C134 11.4(3) . .
C147 B3 C129 C134 132.2(2) . .
C141 B3 C129 C134 -107.6(2) . .
C135 B3 C129 C130 -171.17(19) . .
C147 B3 C129 C130 -50.4(3) . .
C141 B3 C129 C130 69.8(2) . .
C134 C129 C130 C131 3.0(3) . .
B3 C129 C130 C131 -174.7(2) . .
C129 C130 C131 C132 -1.6(3) . .
C130 C131 C132 C133 -0.9(3) . .
C131 C132 C133 C134 1.9(3) . .
C132 C133 C134 C129 -0.4(3) . .
C130 C129 C134 C133 -2.0(3) . .
B3 C129 C134 C133 175.6(2) . .
C129 B3 C135 C136 110.4(2) . .
C147 B3 C135 C136 -11.2(3) . .
C141 B3 C135 C136 -129.4(2) . .
C129 B3 C135 C140 -69.0(3) . .
C147 B3 C135 C140 169.4(2) . .
C141 B3 C135 C140 51.2(3) . .
C140 C135 C136 C137 -0.2(3) . .
B3 C135 C136 C137 -179.6(2) . .
C135 C136 C137 C138 0.6(4) . .
C136 C137 C138 C139 -0.5(3) . .
C137 C138 C139 C140 0.1(4) . .
C138 C139 C140 C135 0.4(4) . .
C136 C135 C140 C139 -0.3(3) . .
B3 C135 C140 C139 179.2(2) . .
C129 B3 C141 C142 154.4(2) . .
C135 B3 C141 C142 33.8(3) . .
C147 B3 C141 C142 -84.4(2) . .
C129 B3 C141 C146 -28.7(3) . .
C135 B3 C141 C146 -149.2(2) . .
C147 B3 C141 C146 92.5(2) . .
C146 C141 C142 C143 -2.4(3) . .
B3 C141 C142 C143 174.9(2) . .
C141 C142 C143 C144 2.0(4) . .
C142 C143 C144 C145 0.1(4) . .
C143 C144 C145 C146 -1.5(3) . .
C144 C145 C146 C141 1.1(3) . .
C142 C141 C146 C145 0.9(3) . .
B3 C141 C146 C145 -176.3(2) . .
C129 B3 C147 C152 -19.1(3) . .
C135 B3 C147 C152 102.5(2) . .
C141 B3 C147 C152 -139.9(2) . .
C129 B3 C147 C148 165.30(18) . .
C135 B3 C147 C148 -73.1(2) . .
C141 B3 C147 C148 44.5(2) . .
C152 C147 C148 C149 0.8(3) . .
B3 C147 C148 C149 176.82(19) . .
C147 C148 C149 C150 -0.3(3) . .
C148 C149 C150 C151 -0.2(3) . .
C149 C150 C151 C152 0.0(3) . .
C150 C151 C152 C147 0.7(3) . .
C148 C147 C152 C151 -1.1(3) . .
B3 C147 C152 C151 -176.95(19) . .
C206 C201 C202 C203 0.5(4) . .
C201 C202 C203 C204 -0.2(4) . .
C202 C203 C204 C205 -0.1(4) . .
C203 C204 C205 C206 0.2(4) . .
C202 C201 C206 C205 -0.4(4) . .
C204 C205 C206 C201 0.1(4) . .
C303 C301 C302 C303 0.1(4) 7_666 .
C301 C302 C303 C301 -0.1(4) . 7_666
C401 C401 C402 C403 -0.3(9) 2_756 .
C401 C402 C403 C403 -1.1(9) . 2_756
C412 C411 C412 C413 0.1(4) 2_756 .
C411 C412 C413 C414 -0.2(8) . .
C412 C413 C414 C413 0.1(4) . 2_756
