#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/59/4115932.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_4115932
loop_
_publ_author_name
'Yoshiaki Tanabe'
'Hidetake Seino'
'Youichi Ishii'
'Masanobu Hidai'
_publ_contact_author_address
;
    Department of Chemistry and Biotechnology, Graduate School of Engineering,
The University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
;
_publ_contact_author_email       ' hidai@chembio.t.u-tokyo.ac.jp '
_publ_contact_author_fax         ' +81-3-5841-7265 '
_publ_contact_author_name        ' Masanobu Hidai'
_publ_contact_author_phone       ' +81-3-5841-7261 '
_publ_section_title
;
 Reaction Mechanism of the C\\tbN Triple Bond Cleavage of β-Ketonitriles
 on a Molybdenum(0) Center1
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1690
_journal_page_last               1699
_journal_paper_doi               10.1021/ja9921928
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C72 H76 Mo N2 O2 P4'
_chemical_formula_weight         1221.24
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Wed Jun  2 21:26:21 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                102.97(1)
_cell_angle_beta                 96.791(9)
_cell_angle_gamma                104.099(9)
_cell_formula_units_Z            2
_cell_length_a                   9.8581(9)
_cell_length_b                   13.628(2)
_cell_length_c                   25.851(3)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      17.7
_cell_measurement_theta_min      14.6
_cell_volume                     3227.0(7)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      294.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω
_diffrn_orient_matrix_UB_11      -0.00397
_diffrn_orient_matrix_UB_12      0.04748
_diffrn_orient_matrix_UB_13      -0.02420
_diffrn_orient_matrix_UB_21      -0.03234
_diffrn_orient_matrix_UB_22      -0.06220
_diffrn_orient_matrix_UB_23      -0.03213
_diffrn_orient_matrix_UB_31      -0.10127
_diffrn_orient_matrix_UB_32      -0.00499
_diffrn_orient_matrix_UB_33      0.00345
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            11882
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        0.07
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.348
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.937
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            browgreen
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1280.00
_exptl_crystal_size_max          0.800
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.58
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.974
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     742
_refine_ls_number_reflns         5220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.2660
_refine_ls_shift/su_mean         0.0117
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00000|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0411
_refine_ls_wR_factor_ref         0.0411
_reflns_number_gt                5220
_reflns_number_total             11363
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja9921928_2.cif
_cod_data_source_block
'[Mo(NCHCH2COBu-t)(NCCHCOBu-t)(dppe)2]H6_(Compound_5k6H6)'
_cod_original_cell_volume        3227.2(8)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C72 H76 N2 Mo O2 P4 '
_cod_database_code               4115932
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_calc_flag
_atom_site_refinement_flags
Mo(1) Mo 0.11667(8) 0.23146(7) 0.74909(4) 0.0392(3) Uani 1.00 d .
P(1) P 0.2927(2) 0.1668(2) 0.79902(10) 0.0452(8) Uani 1.00 d .
P(2) P 0.2145(2) 0.1407(2) 0.67381(9) 0.0448(8) Uani 1.00 d .
P(3) P -0.0859(2) 0.2712(2) 0.69591(10) 0.0440(8) Uani 1.00 d .
P(4) P -0.0127(2) 0.2978(2) 0.82123(10) 0.0447(8) Uani 1.00 d .
O(1) O 0.443(1) 0.6320(8) 0.8018(4) 0.170(5) Uani 1.00 d .
O(2) O -0.4169(6) -0.0332(5) 0.7142(3) 0.092(3) Uani 1.00 d .
N(1) N 0.2547(8) 0.3450(6) 0.7556(3) 0.063(3) Uani 1.00 d .
N(2) N -0.0417(7) 0.0835(5) 0.7360(3) 0.050(3) Uani 1.00 d .
C(1) C 0.367(1) 0.4150(10) 0.7533(5) 0.116(6) Uani 1.00 d .
C(2) C 0.506(2) 0.477(1) 0.7989(6) 0.184(8) Uani 1.00 d .
C(3) C 0.541(2) 0.595(1) 0.8178(8) 0.143(9) Uani 1.00 d .
C(4) C 0.674(2) 0.660(2) 0.8523(9) 0.195(10) Uani 1.00 d .
C(5) C 0.671(2) 0.769(1) 0.8578(10) 0.28(1) Uani 1.00 d .
C(6) C 0.793(1) 0.639(1) 0.8327(8) 0.205(10) Uani 1.00 d .
C(7) C 0.664(2) 0.632(2) 0.9061(8) 0.29(1) Uani 1.00 d .
C(8) C -0.1238(9) 0.0034(7) 0.7201(4) 0.056(4) Uani 1.00 d .
C(9) C -0.2265(10) -0.0942(7) 0.6967(4) 0.077(4) Uani 1.00 d .
C(10) C -0.3749(10) -0.1079(8) 0.6916(4) 0.068(4) Uani 1.00 d .
C(11) C -0.484(1) -0.2134(8) 0.6562(5) 0.094(4) Uani 1.00 d .
C(12) C -0.613(2) -0.237(1) 0.6833(8) 0.089(7) Uani 0.60 d P
C(13) C -0.422(2) -0.304(1) 0.6421(9) 0.094(8) Uani 0.60 d P
C(14) C -0.539(2) -0.181(1) 0.6013(7) 0.124(8) Uani 0.60 d P
C(15) C 0.4010(9) 0.2425(7) 0.8644(4) 0.050(3) Uani 1.00 d .
C(16) C 0.379(1) 0.3308(10) 0.8899(5) 0.115(5) Uani 1.00 d .
C(17) C 0.462(1) 0.392(1) 0.9381(5) 0.151(6) Uani 1.00 d .
C(18) C 0.573(1) 0.3656(10) 0.9612(4) 0.114(5) Uani 1.00 d .
C(19) C 0.595(1) 0.2754(10) 0.9365(5) 0.095(5) Uani 1.00 d .
C(20) C 0.509(1) 0.2135(8) 0.8884(4) 0.083(4) Uani 1.00 d .
C(21) C 0.2435(8) 0.0354(7) 0.8089(3) 0.048(3) Uani 1.00 d .
C(22) C 0.3195(9) -0.0377(8) 0.7978(4) 0.062(4) Uani 1.00 d .
C(23) C 0.273(1) -0.1354(8) 0.8077(4) 0.077(4) Uani 1.00 d .
C(24) C 0.153(1) -0.1619(8) 0.8279(4) 0.082(4) Uani 1.00 d .
C(25) C 0.075(1) -0.0917(9) 0.8388(5) 0.087(5) Uani 1.00 d .
C(26) C 0.1213(9) 0.0054(8) 0.8289(4) 0.065(4) Uani 1.00 d .
C(27) C 0.4341(8) 0.1666(6) 0.7592(3) 0.049(3) Uani 1.00 d .
C(28) C 0.3746(8) 0.1069(7) 0.7005(3) 0.057(3) Uani 1.00 d .
C(29) C 0.1061(8) 0.0150(7) 0.6284(3) 0.042(3) Uani 1.00 d .
C(30) C 0.0973(10) -0.0781(8) 0.6423(4) 0.063(4) Uani 1.00 d .
C(31) C 0.010(1) -0.1733(8) 0.6083(5) 0.078(4) Uani 1.00 d .
C(32) C -0.066(1) -0.1745(9) 0.5611(5) 0.084(5) Uani 1.00 d .
C(33) C -0.060(1) -0.0839(9) 0.5470(4) 0.075(4) Uani 1.00 d .
C(34) C 0.0232(9) 0.0109(7) 0.5807(4) 0.057(3) Uani 1.00 d .
C(35) C 0.2809(9) 0.2123(7) 0.6270(4) 0.050(3) Uani 1.00 d .
C(36) C 0.369(1) 0.1815(7) 0.5923(4) 0.067(4) Uani 1.00 d .
C(37) C 0.422(1) 0.239(1) 0.5586(4) 0.088(5) Uani 1.00 d .
C(38) C 0.392(1) 0.330(1) 0.5584(5) 0.104(6) Uani 1.00 d .
C(39) C 0.304(1) 0.3618(9) 0.5916(6) 0.117(6) Uani 1.00 d .
C(40) C 0.251(1) 0.3039(10) 0.6254(4) 0.084(5) Uani 1.00 d .
C(41) C -0.0747(9) 0.4050(7) 0.6948(3) 0.051(3) Uani 1.00 d .
C(42) C 0.047(1) 0.4833(8) 0.7156(4) 0.062(4) Uani 1.00 d .
C(43) C 0.053(1) 0.5873(8) 0.7178(4) 0.086(5) Uani 1.00 d .
C(44) C -0.067(2) 0.6120(9) 0.6985(5) 0.096(5) Uani 1.00 d .
C(45) C -0.191(1) 0.5342(10) 0.6776(5) 0.094(5) Uani 1.00 d .
C(46) C -0.1942(10) 0.4327(7) 0.6748(4) 0.073(4) Uani 1.00 d .
C(47) C -0.1689(9) 0.2006(7) 0.6256(4) 0.049(3) Uani 1.00 d .
C(48) C -0.2677(10) 0.1033(8) 0.6133(4) 0.064(4) Uani 1.00 d .
C(49) C -0.326(1) 0.0510(8) 0.5596(5) 0.088(5) Uani 1.00 d .
C(50) C -0.281(1) 0.096(1) 0.5194(5) 0.094(6) Uani 1.00 d .
C(51) C -0.184(1) 0.1921(10) 0.5311(5) 0.081(5) Uani 1.00 d .
C(52) C -0.1276(9) 0.2436(7) 0.5840(4) 0.059(4) Uani 1.00 d .
C(53) C -0.2342(8) 0.2449(6) 0.7322(3) 0.049(3) Uani 1.00 d .
C(54) C -0.1859(8) 0.3098(7) 0.7905(3) 0.049(3) Uani 1.00 d .
C(55) C -0.0662(10) 0.2149(7) 0.8652(4) 0.051(3) Uani 1.00 d .
C(56) C 0.015(1) 0.2294(8) 0.9151(5) 0.075(4) Uani 1.00 d .
C(57) C -0.022(2) 0.163(1) 0.9480(5) 0.102(6) Uani 1.00 d .
C(58) C -0.138(2) 0.081(1) 0.9302(6) 0.109(7) Uani 1.00 d .
C(59) C -0.221(1) 0.0623(9) 0.8799(6) 0.096(5) Uani 1.00 d .
C(60) C -0.183(1) 0.1282(9) 0.8475(4) 0.068(4) Uani 1.00 d .
C(61) C 0.0525(9) 0.4281(7) 0.8680(3) 0.045(3) Uani 1.00 d .
C(62) C 0.1605(9) 0.5033(7) 0.8592(4) 0.057(3) Uani 1.00 d .
C(63) C 0.1991(10) 0.6056(8) 0.8908(5) 0.074(4) Uani 1.00 d .
C(64) C 0.134(1) 0.6353(8) 0.9324(4) 0.072(4) Uani 1.00 d .
C(65) C 0.023(1) 0.5608(9) 0.9417(4) 0.077(4) Uani 1.00 d .
C(66) C -0.0172(9) 0.4589(7) 0.9101(4) 0.062(4) Uani 1.00 d .
C(67) C 0.469(6) 0.092(2) 1.008(2) 0.26(2) Uani 1.00 d .
C(68) C 0.399(3) 0.017(4) 0.966(2) 0.21(2) Uani 1.00 d .
C(69) C 0.443(4) -0.068(4) 0.9543(9) 0.21(1) Uani 1.00 d .
C(70) C 0.126(5) 0.542(2) 0.529(2) 0.23(1) Uani 1.00 d .
C(71) C 0.116(4) 0.523(4) 0.479(3) 0.32(2) Uani 1.00 d .
C(72) C 0.011(9) 0.474(4) 0.451(2) 0.24(2) Uani 1.00 d .
C(73) C -0.476(3) -0.290(2) 0.703(1) 0.092(9) Uiso 0.40 d P
C(74) C -0.424(3) -0.268(2) 0.612(1) 0.07(1) Uiso 0.40 d P
C(75) C -0.616(4) -0.206(3) 0.650(1) 0.09(1) Uiso 0.40 d P
H(1) H 0.3681 0.4320 0.7196 0.1390 Uiso 1.00 calc .
H(2) H 0.4949 0.4512 0.8297 0.2201 Uiso 1.00 calc .
H(3) H 0.5857 0.4616 0.7851 0.2201 Uiso 1.00 calc .
H(4) H 0.7545 0.8145 0.8815 0.3396 Uiso 1.00 calc .
H(5) H 0.6674 0.7829 0.8234 0.3396 Uiso 1.00 calc .
H(6) H 0.5896 0.7789 0.8720 0.3396 Uiso 1.00 calc .
H(7) H 0.7901 0.5678 0.8305 0.2438 Uiso 1.00 calc .
H(8) H 0.7935 0.6509 0.7980 0.2438 Uiso 1.00 calc .
H(9) H 0.8774 0.6835 0.8567 0.2438 Uiso 1.00 calc .
H(10) H 0.5800 0.6440 0.9180 0.3465 Uiso 1.00 calc .
H(11) H 0.6597 0.5600 0.9014 0.3465 Uiso 1.00 calc .
H(12) H 0.7447 0.6740 0.9324 0.3465 Uiso 1.00 calc .
H(13) H -0.1942 -0.1538 0.6837 0.0927 Uiso 1.00 calc .
H(14) H 0.3040 0.3531 0.8743 0.1381 Uiso 1.00 calc .
H(15) H 0.4406 0.4537 0.9557 0.1816 Uiso 1.00 calc .
H(16) H 0.6337 0.4096 0.9937 0.1365 Uiso 1.00 calc .
H(17) H 0.6709 0.2534 0.9523 0.1136 Uiso 1.00 calc .
H(18) H 0.5267 0.1492 0.8718 0.0997 Uiso 1.00 calc .
H(19) H 0.4038 -0.0209 0.7833 0.0749 Uiso 1.00 calc .
H(20) H 0.3263 -0.1844 0.8001 0.0926 Uiso 1.00 calc .
H(21) H 0.1227 -0.2290 0.8345 0.0982 Uiso 1.00 calc .
H(22) H -0.0093 -0.1095 0.8530 0.1043 Uiso 1.00 calc .
H(23) H 0.0662 0.0534 0.8363 0.0778 Uiso 1.00 calc .
H(24) H 0.4826 0.2369 0.7609 0.0589 Uiso 1.00 calc .
H(25) H 0.4990 0.1342 0.7739 0.0589 Uiso 1.00 calc .
H(26) H 0.3504 0.0339 0.6978 0.0684 Uiso 1.00 calc .
H(27) H 0.4455 0.1236 0.6795 0.0684 Uiso 1.00 calc .
H(28) H 0.1511 -0.0776 0.6754 0.0755 Uiso 1.00 calc .
H(29) H 0.0055 -0.2368 0.6183 0.0938 Uiso 1.00 calc .
H(30) H -0.1246 -0.2391 0.5378 0.1008 Uiso 1.00 calc .
H(31) H -0.1142 -0.0855 0.5137 0.0894 Uiso 1.00 calc .
H(32) H 0.0236 0.0740 0.5708 0.0682 Uiso 1.00 calc .
H(33) H 0.3924 0.1179 0.5919 0.0798 Uiso 1.00 calc .
H(34) H 0.4817 0.2149 0.5353 0.1052 Uiso 1.00 calc .
H(35) H 0.4307 0.3713 0.5357 0.1248 Uiso 1.00 calc .
H(36) H 0.2789 0.4248 0.5912 0.1408 Uiso 1.00 calc .
H(37) H 0.1911 0.3285 0.6485 0.1011 Uiso 1.00 calc .
H(38) H 0.1303 0.4668 0.7291 0.0748 Uiso 1.00 calc .
H(39) H 0.1400 0.6409 0.7325 0.1031 Uiso 1.00 calc .
H(40) H -0.0641 0.6827 0.6997 0.1150 Uiso 1.00 calc .
H(41) H -0.2744 0.5509 0.6649 0.1131 Uiso 1.00 calc .
H(42) H -0.2801 0.3791 0.6588 0.0872 Uiso 1.00 calc .
H(43) H -0.2956 0.0726 0.6413 0.0762 Uiso 1.00 calc .
H(44) H -0.3950 -0.0152 0.5506 0.1056 Uiso 1.00 calc .
H(45) H -0.3199 0.0596 0.4827 0.1126 Uiso 1.00 calc .
H(46) H -0.1550 0.2225 0.5031 0.0973 Uiso 1.00 calc .
H(47) H -0.0592 0.3101 0.5925 0.0712 Uiso 1.00 calc .
H(48) H -0.3123 0.2635 0.7159 0.0588 Uiso 1.00 calc .
H(49) H -0.2623 0.1725 0.7311 0.0588 Uiso 1.00 calc .
H(50) H -0.2557 0.2866 0.8108 0.0591 Uiso 1.00 calc .
H(51) H -0.1766 0.3813 0.7917 0.0591 Uiso 1.00 calc .
H(52) H 0.0989 0.2864 0.9273 0.0894 Uiso 1.00 calc .
H(53) H 0.0339 0.1759 0.9826 0.1222 Uiso 1.00 calc .
H(54) H -0.1643 0.0345 0.9523 0.1303 Uiso 1.00 calc .
H(55) H -0.3039 0.0044 0.8677 0.1156 Uiso 1.00 calc .
H(56) H -0.2382 0.1138 0.8126 0.0816 Uiso 1.00 calc .
H(57) H 0.2101 0.4849 0.8308 0.0685 Uiso 1.00 calc .
H(58) H 0.2732 0.6563 0.8830 0.0883 Uiso 1.00 calc .
H(59) H 0.1634 0.7052 0.9546 0.0858 Uiso 1.00 calc .
H(60) H -0.0263 0.5802 0.9702 0.0927 Uiso 1.00 calc .
H(61) H -0.0935 0.4088 0.9171 0.0743 Uiso 1.00 calc .
H(62) H 0.4540 0.1593 1.0113 0.2997 Uiso 1.00 calc .
H(63) H 0.3186 0.0196 0.9421 0.2460 Uiso 1.00 calc .
H(64) H 0.4145 -0.1181 0.9196 0.2444 Uiso 1.00 calc .
H(65) H 0.2158 0.5652 0.5523 0.2732 Uiso 1.00 calc .
H(66) H 0.1953 0.5477 0.4630 0.3760 Uiso 1.00 calc .
H(67) H 0.0072 0.4424 0.4143 0.2835 Uiso 1.00 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Mo Mo -1.683 0.686
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-2 1 -2
-1 2 -4
-1 3 -2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(1) Mo(1) P(2) 78.75(8) 1_555 1_555 1_555 yes
P(1) Mo(1) P(3) 171.82(9) 1_555 1_555 1_555 yes
P(1) Mo(1) P(4) 102.41(9) 1_555 1_555 1_555 yes
P(1) Mo(1) N(1) 87.4(3) 1_555 1_555 1_555 yes
P(1) Mo(1) N(2) 90.3(2) 1_555 1_555 1_555 yes
P(2) Mo(1) P(3) 100.05(9) 1_555 1_555 1_555 yes
P(2) Mo(1) P(4) 171.25(9) 1_555 1_555 1_555 yes
P(2) Mo(1) N(1) 88.2(3) 1_555 1_555 1_555 yes
P(2) Mo(1) N(2) 86.2(2) 1_555 1_555 1_555 yes
P(3) Mo(1) P(4) 77.55(8) 1_555 1_555 1_555 yes
P(3) Mo(1) N(1) 100.6(3) 1_555 1_555 1_555 yes
P(3) Mo(1) N(2) 81.5(2) 1_555 1_555 1_555 yes
P(4) Mo(1) N(1) 100.4(3) 1_555 1_555 1_555 yes
P(4) Mo(1) N(2) 85.2(2) 1_555 1_555 1_555 yes
N(1) Mo(1) N(2) 174.3(3) 1_555 1_555 1_555 yes
Mo(1) P(1) C(15) 122.7(3) 1_555 1_555 1_555 yes
Mo(1) P(1) C(21) 120.7(3) 1_555 1_555 1_555 yes
Mo(1) P(1) C(27) 105.2(3) 1_555 1_555 1_555 yes
C(15) P(1) C(21) 101.5(4) 1_555 1_555 1_555 yes
C(15) P(1) C(27) 98.9(4) 1_555 1_555 1_555 yes
C(21) P(1) C(27) 104.6(4) 1_555 1_555 1_555 yes
Mo(1) P(2) C(28) 110.4(3) 1_555 1_555 1_555 yes
Mo(1) P(2) C(29) 119.8(3) 1_555 1_555 1_555 yes
Mo(1) P(2) C(35) 118.3(3) 1_555 1_555 1_555 yes
C(28) P(2) C(29) 102.3(4) 1_555 1_555 1_555 yes
C(28) P(2) C(35) 101.3(4) 1_555 1_555 1_555 yes
C(29) P(2) C(35) 102.1(4) 1_555 1_555 1_555 yes
Mo(1) P(3) C(41) 119.6(3) 1_555 1_555 1_555 yes
Mo(1) P(3) C(47) 124.2(3) 1_555 1_555 1_555 yes
Mo(1) P(3) C(53) 105.2(3) 1_555 1_555 1_555 yes
C(41) P(3) C(47) 101.2(4) 1_555 1_555 1_555 yes
C(41) P(3) C(53) 100.2(4) 1_555 1_555 1_555 yes
C(47) P(3) C(53) 102.8(4) 1_555 1_555 1_555 yes
Mo(1) P(4) C(54) 110.4(3) 1_555 1_555 1_555 yes
Mo(1) P(4) C(55) 117.1(3) 1_555 1_555 1_555 yes
Mo(1) P(4) C(61) 123.2(3) 1_555 1_555 1_555 yes
C(54) P(4) C(55) 102.0(4) 1_555 1_555 1_555 yes
C(54) P(4) C(61) 98.1(4) 1_555 1_555 1_555 yes
C(55) P(4) C(61) 102.7(4) 1_555 1_555 1_555 yes
Mo(1) N(1) C(1) 167.5(9) 1_555 1_555 1_555 yes
Mo(1) N(2) C(8) 168.4(8) 1_555 1_555 1_555 yes
N(1) C(1) C(2) 129(1) 1_555 1_555 1_555 yes
N(1) C(1) H(1) 115(1) 1_555 1_555 1_555 no
C(2) C(1) H(1) 115(1) 1_555 1_555 1_555 no
C(1) C(2) C(3) 118(1) 1_555 1_555 1_555 yes
C(1) C(2) H(2) 107(1) 1_555 1_555 1_555 no
C(1) C(2) H(3) 107(1) 1_555 1_555 1_555 no
C(3) C(2) H(2) 107(1) 1_555 1_555 1_555 no
C(3) C(2) H(3) 107(1) 1_555 1_555 1_555 no
H(2) C(2) H(3) 109(1) 1_555 1_555 1_555 no
O(1) C(3) C(2) 114(1) 1_555 1_555 1_555 yes
O(1) C(3) C(4) 122(1) 1_555 1_555 1_555 yes
C(2) C(3) C(4) 123(1) 1_555 1_555 1_555 yes
C(3) C(4) C(5) 106(1) 1_555 1_555 1_555 yes
C(3) C(4) C(6) 112(2) 1_555 1_555 1_555 yes
C(3) C(4) C(7) 102(1) 1_555 1_555 1_555 yes
C(5) C(4) C(6) 113(1) 1_555 1_555 1_555 yes
C(5) C(4) C(7) 110(2) 1_555 1_555 1_555 yes
C(6) C(4) C(7) 110(2) 1_555 1_555 1_555 yes
C(4) C(5) H(4) 109(1) 1_555 1_555 1_555 no
C(4) C(5) H(5) 109(2) 1_555 1_555 1_555 no
C(4) C(5) H(6) 109(1) 1_555 1_555 1_555 no
H(4) C(5) H(5) 109(1) 1_555 1_555 1_555 no
H(4) C(5) H(6) 109(2) 1_555 1_555 1_555 no
H(5) C(5) H(6) 109(1) 1_555 1_555 1_555 no
C(4) C(6) H(7) 109(1) 1_555 1_555 1_555 no
C(4) C(6) H(8) 109(1) 1_555 1_555 1_555 no
C(4) C(6) H(9) 109(1) 1_555 1_555 1_555 no
H(7) C(6) H(8) 109(1) 1_555 1_555 1_555 no
H(7) C(6) H(9) 109(1) 1_555 1_555 1_555 no
H(8) C(6) H(9) 109(1) 1_555 1_555 1_555 no
C(4) C(7) H(10) 109(2) 1_555 1_555 1_555 no
C(4) C(7) H(11) 109(1) 1_555 1_555 1_555 no
C(4) C(7) H(12) 109(2) 1_555 1_555 1_555 no
H(10) C(7) H(11) 109(2) 1_555 1_555 1_555 no
H(10) C(7) H(12) 109(1) 1_555 1_555 1_555 no
H(11) C(7) H(12) 109(2) 1_555 1_555 1_555 no
N(2) C(8) C(9) 175(1) 1_555 1_555 1_555 yes
C(8) C(9) C(10) 123.5(8) 1_555 1_555 1_555 yes
C(8) C(9) H(13) 118.3(9) 1_555 1_555 1_555 no
C(10) C(9) H(13) 118.3(10) 1_555 1_555 1_555 no
O(2) C(10) C(9) 118.3(9) 1_555 1_555 1_555 yes
O(2) C(10) C(11) 120.9(8) 1_555 1_555 1_555 yes
C(9) C(10) C(11) 120.8(8) 1_555 1_555 1_555 yes
C(10) C(11) C(12) 108(1) 1_555 1_555 1_555 yes
C(10) C(11) C(13) 114(1) 1_555 1_555 1_555 yes
C(10) C(11) C(14) 102.7(10) 1_555 1_555 1_555 yes
C(10) C(11) C(73) 98(1) 1_555 1_555 1_555 yes
C(10) C(11) C(74) 112(1) 1_555 1_555 1_555 yes
C(10) C(11) C(75) 111(1) 1_555 1_555 1_555 yes
C(12) C(11) C(13) 113(1) 1_555 1_555 1_555 yes
C(12) C(11) C(14) 105(1) 1_555 1_555 1_555 yes
C(12) C(11) C(73) 63(1) 1_555 1_555 1_555 yes
C(12) C(11) C(74) 137(1) 1_555 1_555 1_555 yes
C(12) C(11) C(75) 42(1) 1_555 1_555 1_555 yes
C(13) C(11) C(14) 110(1) 1_555 1_555 1_555 yes
C(13) C(11) C(73) 62(1) 1_555 1_555 1_555 yes
C(13) C(11) C(74) 39(1) 1_555 1_555 1_555 yes
C(13) C(11) C(75) 132(1) 1_555 1_555 1_555 yes
C(14) C(11) C(73) 158(1) 1_555 1_555 1_555 yes
C(14) C(11) C(74) 73(1) 1_555 1_555 1_555 yes
C(14) C(11) C(75) 64(1) 1_555 1_555 1_555 yes
C(73) C(11) C(74) 101(1) 1_555 1_555 1_555 yes
C(73) C(11) C(75) 104(1) 1_555 1_555 1_555 yes
C(74) C(11) C(75) 123(2) 1_555 1_555 1_555 yes
C(11) C(12) C(73) 64(1) 1_555 1_555 1_555 yes
C(11) C(12) C(75) 58(2) 1_555 1_555 1_555 yes
C(73) C(12) C(75) 122(2) 1_555 1_555 1_555 yes
C(11) C(13) C(73) 66(1) 1_555 1_555 1_555 yes
C(11) C(13) C(74) 68(2) 1_555 1_555 1_555 yes
C(73) C(13) C(74) 135(2) 1_555 1_555 1_555 yes
C(11) C(14) C(75) 48(1) 1_555 1_555 1_555 yes
P(1) C(15) C(16) 120.6(8) 1_555 1_555 1_555 yes
P(1) C(15) C(20) 122.6(8) 1_555 1_555 1_555 yes
C(16) C(15) C(20) 116.7(9) 1_555 1_555 1_555 yes
C(15) C(16) C(17) 122(1) 1_555 1_555 1_555 yes
C(15) C(16) H(14) 118(1) 1_555 1_555 1_555 no
C(17) C(16) H(14) 118(1) 1_555 1_555 1_555 no
C(16) C(17) C(18) 121(1) 1_555 1_555 1_555 yes
C(16) C(17) H(15) 119(1) 1_555 1_555 1_555 no
C(18) C(17) H(15) 119(1) 1_555 1_555 1_555 no
C(17) C(18) C(19) 117(1) 1_555 1_555 1_555 yes
C(17) C(18) H(16) 121(1) 1_555 1_555 1_555 no
C(19) C(18) H(16) 121(1) 1_555 1_555 1_555 no
C(18) C(19) C(20) 120(1) 1_555 1_555 1_555 yes
C(18) C(19) H(17) 119(1) 1_555 1_555 1_555 no
C(20) C(19) H(17) 119(1) 1_555 1_555 1_555 no
C(15) C(20) C(19) 121.4(10) 1_555 1_555 1_555 yes
C(15) C(20) H(18) 119(1) 1_555 1_555 1_555 no
C(19) C(20) H(18) 119(1) 1_555 1_555 1_555 no
P(1) C(21) C(22) 125.2(7) 1_555 1_555 1_555 yes
P(1) C(21) C(26) 118.0(7) 1_555 1_555 1_555 yes
C(22) C(21) C(26) 116.8(8) 1_555 1_555 1_555 yes
C(21) C(22) C(23) 120.2(9) 1_555 1_555 1_555 yes
C(21) C(22) H(19) 119(1) 1_555 1_555 1_555 no
C(23) C(22) H(19) 119.9(10) 1_555 1_555 1_555 no
C(22) C(23) C(24) 121.4(9) 1_555 1_555 1_555 yes
C(22) C(23) H(20) 119(1) 1_555 1_555 1_555 no
C(24) C(23) H(20) 119(1) 1_555 1_555 1_555 no
C(23) C(24) C(25) 119.5(10) 1_555 1_555 1_555 yes
C(23) C(24) H(21) 120(1) 1_555 1_555 1_555 no
C(25) C(24) H(21) 120(1) 1_555 1_555 1_555 no
C(24) C(25) C(26) 119.2(9) 1_555 1_555 1_555 yes
C(24) C(25) H(22) 120(1) 1_555 1_555 1_555 no
C(26) C(25) H(22) 120(1) 1_555 1_555 1_555 no
C(21) C(26) C(25) 122.8(9) 1_555 1_555 1_555 yes
C(21) C(26) H(23) 118(1) 1_555 1_555 1_555 no
C(25) C(26) H(23) 118(1) 1_555 1_555 1_555 no
P(1) C(27) C(28) 111.4(5) 1_555 1_555 1_555 yes
P(1) C(27) H(24) 109.0(6) 1_555 1_555 1_555 no
P(1) C(27) H(25) 109.0(7) 1_555 1_555 1_555 no
C(28) C(27) H(24) 109.0(8) 1_555 1_555 1_555 no
C(28) C(27) H(25) 109.0(7) 1_555 1_555 1_555 no
H(24) C(27) H(25) 109.5(7) 1_555 1_555 1_555 no
P(2) C(28) C(27) 112.0(6) 1_555 1_555 1_555 yes
P(2) C(28) H(26) 108.8(6) 1_555 1_555 1_555 no
P(2) C(28) H(27) 108.9(6) 1_555 1_555 1_555 no
C(27) C(28) H(26) 108.8(8) 1_555 1_555 1_555 no
C(27) C(28) H(27) 108.8(7) 1_555 1_555 1_555 no
H(26) C(28) H(27) 109.5(8) 1_555 1_555 1_555 no
P(2) C(29) C(30) 121.4(7) 1_555 1_555 1_555 yes
P(2) C(29) C(34) 121.0(7) 1_555 1_555 1_555 yes
C(30) C(29) C(34) 117.5(8) 1_555 1_555 1_555 yes
C(29) C(30) C(31) 121.0(9) 1_555 1_555 1_555 yes
C(29) C(30) H(28) 119(1) 1_555 1_555 1_555 no
C(31) C(30) H(28) 119(1) 1_555 1_555 1_555 no
C(30) C(31) C(32) 119(1) 1_555 1_555 1_555 yes
C(30) C(31) H(29) 120(1) 1_555 1_555 1_555 no
C(32) C(31) H(29) 120(1) 1_555 1_555 1_555 no
C(31) C(32) C(33) 120(1) 1_555 1_555 1_555 yes
C(31) C(32) H(30) 119(1) 1_555 1_555 1_555 no
C(33) C(32) H(30) 119(1) 1_555 1_555 1_555 no
C(32) C(33) C(34) 120(1) 1_555 1_555 1_555 yes
C(32) C(33) H(31) 119(1) 1_555 1_555 1_555 no
C(34) C(33) H(31) 119(1) 1_555 1_555 1_555 no
C(29) C(34) C(33) 120.9(9) 1_555 1_555 1_555 yes
C(29) C(34) H(32) 119.6(9) 1_555 1_555 1_555 no
C(33) C(34) H(32) 119(1) 1_555 1_555 1_555 no
P(2) C(35) C(36) 123.5(8) 1_555 1_555 1_555 yes
P(2) C(35) C(40) 120.7(8) 1_555 1_555 1_555 yes
C(36) C(35) C(40) 115.8(9) 1_555 1_555 1_555 yes
C(35) C(36) C(37) 122.6(10) 1_555 1_555 1_555 yes
C(35) C(36) H(33) 118(1) 1_555 1_555 1_555 no
C(37) C(36) H(33) 118(1) 1_555 1_555 1_555 no
C(36) C(37) C(38) 120(1) 1_555 1_555 1_555 yes
C(36) C(37) H(34) 119(1) 1_555 1_555 1_555 no
C(38) C(37) H(34) 119(1) 1_555 1_555 1_555 no
C(37) C(38) C(39) 118(1) 1_555 1_555 1_555 yes
C(37) C(38) H(35) 120(1) 1_555 1_555 1_555 no
C(39) C(38) H(35) 120(1) 1_555 1_555 1_555 no
C(38) C(39) C(40) 120(1) 1_555 1_555 1_555 yes
C(38) C(39) H(36) 119(1) 1_555 1_555 1_555 no
C(40) C(39) H(36) 119(1) 1_555 1_555 1_555 no
C(35) C(40) C(39) 121(1) 1_555 1_555 1_555 yes
C(35) C(40) H(37) 119(1) 1_555 1_555 1_555 no
C(39) C(40) H(37) 119(1) 1_555 1_555 1_555 no
P(3) C(41) C(42) 121.6(7) 1_555 1_555 1_555 yes
P(3) C(41) C(46) 121.0(7) 1_555 1_555 1_555 yes
C(42) C(41) C(46) 117.2(9) 1_555 1_555 1_555 yes
C(41) C(42) C(43) 121.7(9) 1_555 1_555 1_555 yes
C(41) C(42) H(38) 119.2(10) 1_555 1_555 1_555 no
C(43) C(42) H(38) 119(1) 1_555 1_555 1_555 no
C(42) C(43) C(44) 119(1) 1_555 1_555 1_555 yes
C(42) C(43) H(39) 120(1) 1_555 1_555 1_555 no
C(44) C(43) H(39) 120(1) 1_555 1_555 1_555 no
C(43) C(44) C(45) 119(1) 1_555 1_555 1_555 yes
C(43) C(44) H(40) 120(1) 1_555 1_555 1_555 no
C(45) C(44) H(40) 120(1) 1_555 1_555 1_555 no
C(44) C(45) C(46) 120(1) 1_555 1_555 1_555 yes
C(44) C(45) H(41) 119(1) 1_555 1_555 1_555 no
C(46) C(45) H(41) 119(1) 1_555 1_555 1_555 no
C(41) C(46) C(45) 121.8(10) 1_555 1_555 1_555 yes
C(41) C(46) H(42) 119.1(10) 1_555 1_555 1_555 no
C(45) C(46) H(42) 119(1) 1_555 1_555 1_555 no
P(3) C(47) C(48) 121.0(8) 1_555 1_555 1_555 yes
P(3) C(47) C(52) 119.5(8) 1_555 1_555 1_555 yes
C(48) C(47) C(52) 119.4(9) 1_555 1_555 1_555 yes
C(47) C(48) C(49) 119(1) 1_555 1_555 1_555 yes
C(47) C(48) H(43) 120(1) 1_555 1_555 1_555 no
C(49) C(48) H(43) 120(1) 1_555 1_555 1_555 no
C(48) C(49) C(50) 119(1) 1_555 1_555 1_555 yes
C(48) C(49) H(44) 120(1) 1_555 1_555 1_555 no
C(50) C(49) H(44) 120(1) 1_555 1_555 1_555 no
C(49) C(50) C(51) 121(1) 1_555 1_555 1_555 yes
C(49) C(50) H(45) 119(1) 1_555 1_555 1_555 no
C(51) C(50) H(45) 119(1) 1_555 1_555 1_555 no
C(50) C(51) C(52) 118(1) 1_555 1_555 1_555 yes
C(50) C(51) H(46) 120(1) 1_555 1_555 1_555 no
C(52) C(51) H(46) 120(1) 1_555 1_555 1_555 no
C(47) C(52) C(51) 121.4(10) 1_555 1_555 1_555 yes
C(47) C(52) H(47) 119(1) 1_555 1_555 1_555 no
C(51) C(52) H(47) 119(1) 1_555 1_555 1_555 no
P(3) C(53) C(54) 108.9(5) 1_555 1_555 1_555 yes
P(3) C(53) H(48) 109.6(7) 1_555 1_555 1_555 no
P(3) C(53) H(49) 109.6(6) 1_555 1_555 1_555 no
C(54) C(53) H(48) 109.6(7) 1_555 1_555 1_555 no
C(54) C(53) H(49) 109.6(8) 1_555 1_555 1_555 no
H(48) C(53) H(49) 109.5(7) 1_555 1_555 1_555 no
P(4) C(54) C(53) 112.2(5) 1_555 1_555 1_555 yes
P(4) C(54) H(50) 108.8(6) 1_555 1_555 1_555 no
P(4) C(54) H(51) 108.8(6) 1_555 1_555 1_555 no
C(53) C(54) H(50) 108.8(7) 1_555 1_555 1_555 no
C(53) C(54) H(51) 108.8(8) 1_555 1_555 1_555 no
H(50) C(54) H(51) 109.5(7) 1_555 1_555 1_555 no
P(4) C(55) C(56) 121.8(8) 1_555 1_555 1_555 yes
P(4) C(55) C(60) 120.5(8) 1_555 1_555 1_555 yes
C(56) C(55) C(60) 117.4(10) 1_555 1_555 1_555 yes
C(55) C(56) C(57) 122(1) 1_555 1_555 1_555 yes
C(55) C(56) H(52) 118(1) 1_555 1_555 1_555 no
C(57) C(56) H(52) 119(1) 1_555 1_555 1_555 no
C(56) C(57) C(58) 119(1) 1_555 1_555 1_555 yes
C(56) C(57) H(53) 120(1) 1_555 1_555 1_555 no
C(58) C(57) H(53) 120(1) 1_555 1_555 1_555 no
C(57) C(58) C(59) 120(1) 1_555 1_555 1_555 yes
C(57) C(58) H(54) 119(1) 1_555 1_555 1_555 no
C(59) C(58) H(54) 119(1) 1_555 1_555 1_555 no
C(58) C(59) C(60) 119(1) 1_555 1_555 1_555 yes
C(58) C(59) H(55) 120(1) 1_555 1_555 1_555 no
C(60) C(59) H(55) 120(1) 1_555 1_555 1_555 no
C(55) C(60) C(59) 120(1) 1_555 1_555 1_555 yes
C(55) C(60) H(56) 119(1) 1_555 1_555 1_555 no
C(59) C(60) H(56) 119(1) 1_555 1_555 1_555 no
P(4) C(61) C(62) 121.0(7) 1_555 1_555 1_555 yes
P(4) C(61) C(66) 121.2(7) 1_555 1_555 1_555 yes
C(62) C(61) C(66) 117.2(8) 1_555 1_555 1_555 yes
C(61) C(62) C(63) 121.3(9) 1_555 1_555 1_555 yes
C(61) C(62) H(57) 119.3(9) 1_555 1_555 1_555 no
C(63) C(62) H(57) 119(1) 1_555 1_555 1_555 no
C(62) C(63) C(64) 121(1) 1_555 1_555 1_555 yes
C(62) C(63) H(58) 119(1) 1_555 1_555 1_555 no
C(64) C(63) H(58) 119(1) 1_555 1_555 1_555 no
C(63) C(64) C(65) 118.1(10) 1_555 1_555 1_555 yes
C(63) C(64) H(59) 120(1) 1_555 1_555 1_555 no
C(65) C(64) H(59) 120(1) 1_555 1_555 1_555 no
C(64) C(65) C(66) 120.5(10) 1_555 1_555 1_555 yes
C(64) C(65) H(60) 119(1) 1_555 1_555 1_555 no
C(66) C(65) H(60) 119(1) 1_555 1_555 1_555 no
C(61) C(66) C(65) 121.1(9) 1_555 1_555 1_555 yes
C(61) C(66) H(61) 119.5(10) 1_555 1_555 1_555 no
C(65) C(66) H(61) 119(1) 1_555 1_555 1_555 no
C(68) C(67) C(69) 117(2) 1_555 1_555 2_657 yes
C(68) C(67) H(62) 117(7) 1_555 1_555 1_555 no
C(69) C(67) H(62) 124(6) 2_657 1_555 1_555 no
C(67) C(68) C(69) 117(3) 1_555 1_555 1_555 yes
C(67) C(68) H(63) 124(6) 1_555 1_555 1_555 no
C(69) C(68) H(63) 118(6) 1_555 1_555 1_555 no
C(67) C(69) C(68) 122(2) 2_657 1_555 1_555 yes
C(67) C(69) H(64) 115(6) 2_657 1_555 1_555 no
C(68) C(69) H(64) 122(6) 1_555 1_555 1_555 no
C(71) C(70) C(72) 115(3) 1_555 1_555 2_566 yes
C(71) C(70) H(65) 120(6) 1_555 1_555 1_555 no
C(72) C(70) H(65) 123(7) 2_566 1_555 1_555 no
C(70) C(71) C(72) 119(5) 1_555 1_555 1_555 yes
C(70) C(71) H(66) 121(6) 1_555 1_555 1_555 no
C(72) C(71) H(66) 118(7) 1_555 1_555 1_555 no
C(70) C(72) C(71) 122(3) 2_566 1_555 1_555 yes
C(70) C(72) H(67) 116(8) 2_566 1_555 1_555 no
C(71) C(72) H(67) 120(9) 1_555 1_555 1_555 no
C(11) C(73) C(12) 51.6(10) 1_555 1_555 1_555 yes
C(11) C(73) C(13) 51(1) 1_555 1_555 1_555 yes
C(12) C(73) C(13) 94(1) 1_555 1_555 1_555 yes
C(11) C(74) C(13) 71(2) 1_555 1_555 1_555 yes
C(11) C(75) C(12) 79(2) 1_555 1_555 1_555 yes
C(11) C(75) C(14) 67(1) 1_555 1_555 1_555 yes
C(12) C(75) C(14) 146(3) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo(1) P(1) 2.486(3) 1_555 1_555 yes
Mo(1) P(2) 2.488(2) 1_555 1_555 yes
Mo(1) P(3) 2.527(2) 1_555 1_555 yes
Mo(1) P(4) 2.508(3) 1_555 1_555 yes
Mo(1) N(1) 1.754(7) 1_555 1_555 yes
Mo(1) N(2) 2.157(7) 1_555 1_555 yes
P(1) C(15) 1.820(9) 1_555 1_555 yes
P(1) C(21) 1.821(9) 1_555 1_555 yes
P(1) C(27) 1.829(8) 1_555 1_555 yes
P(2) C(28) 1.849(7) 1_555 1_555 yes
P(2) C(29) 1.833(8) 1_555 1_555 yes
P(2) C(35) 1.804(9) 1_555 1_555 yes
P(3) C(41) 1.807(9) 1_555 1_555 yes
P(3) C(47) 1.838(9) 1_555 1_555 yes
P(3) C(53) 1.835(8) 1_555 1_555 yes
P(4) C(54) 1.856(8) 1_555 1_555 yes
P(4) C(55) 1.809(10) 1_555 1_555 yes
P(4) C(61) 1.824(8) 1_555 1_555 yes
O(1) C(3) 1.26(1) 1_555 1_555 yes
O(2) C(10) 1.242(9) 1_555 1_555 yes
N(1) C(1) 1.29(1) 1_555 1_555 yes
N(2) C(8) 1.142(10) 1_555 1_555 yes
C(1) C(2) 1.61(2) 1_555 1_555 yes
C(2) C(3) 1.50(2) 1_555 1_555 yes
C(3) C(4) 1.45(2) 1_555 1_555 yes
C(4) C(5) 1.46(2) 1_555 1_555 yes
C(4) C(6) 1.40(3) 1_555 1_555 yes
C(4) C(7) 1.53(3) 1_555 1_555 yes
C(8) C(9) 1.41(1) 1_555 1_555 yes
C(9) C(10) 1.41(1) 1_555 1_555 yes
C(10) C(11) 1.58(1) 1_555 1_555 yes
C(11) C(12) 1.53(2) 1_555 1_555 yes
C(11) C(13) 1.50(2) 1_555 1_555 yes
C(11) C(14) 1.65(2) 1_555 1_555 yes
C(11) C(73) 1.77(3) 1_555 1_555 yes
C(11) C(74) 1.47(3) 1_555 1_555 yes
C(11) C(75) 1.33(3) 1_555 1_555 yes
C(12) C(73) 1.75(3) 1_555 1_555 yes
C(12) C(75) 1.04(3) 1_555 1_555 yes
C(13) C(73) 1.70(3) 1_555 1_555 yes
C(13) C(74) 1.00(3) 1_555 1_555 yes
C(14) C(75) 1.60(4) 1_555 1_555 yes
C(15) C(16) 1.32(1) 1_555 1_555 yes
C(15) C(20) 1.36(1) 1_555 1_555 yes
C(16) C(17) 1.37(1) 1_555 1_555 yes
C(17) C(18) 1.35(1) 1_555 1_555 yes
C(18) C(19) 1.33(1) 1_555 1_555 yes
C(19) C(20) 1.38(1) 1_555 1_555 yes
C(21) C(22) 1.387(10) 1_555 1_555 yes
C(21) C(26) 1.37(1) 1_555 1_555 yes
C(22) C(23) 1.39(1) 1_555 1_555 yes
C(23) C(24) 1.35(1) 1_555 1_555 yes
C(24) C(25) 1.37(1) 1_555 1_555 yes
C(25) C(26) 1.38(1) 1_555 1_555 yes
C(27) C(28) 1.52(1) 1_555 1_555 yes
C(29) C(30) 1.38(1) 1_555 1_555 yes
C(29) C(34) 1.379(10) 1_555 1_555 yes
C(30) C(31) 1.40(1) 1_555 1_555 yes
C(31) C(32) 1.35(1) 1_555 1_555 yes
C(32) C(33) 1.35(1) 1_555 1_555 yes
C(33) C(34) 1.38(1) 1_555 1_555 yes
C(35) C(36) 1.38(1) 1_555 1_555 yes
C(35) C(40) 1.36(1) 1_555 1_555 yes
C(36) C(37) 1.37(1) 1_555 1_555 yes
C(37) C(38) 1.35(1) 1_555 1_555 yes
C(38) C(39) 1.37(1) 1_555 1_555 yes
C(39) C(40) 1.37(1) 1_555 1_555 yes
C(41) C(42) 1.35(1) 1_555 1_555 yes
C(41) C(46) 1.40(1) 1_555 1_555 yes
C(42) C(43) 1.39(1) 1_555 1_555 yes
C(43) C(44) 1.38(1) 1_555 1_555 yes
C(44) C(45) 1.36(1) 1_555 1_555 yes
C(45) C(46) 1.36(1) 1_555 1_555 yes
C(47) C(48) 1.38(1) 1_555 1_555 yes
C(47) C(52) 1.39(1) 1_555 1_555 yes
C(48) C(49) 1.39(1) 1_555 1_555 yes
C(49) C(50) 1.38(1) 1_555 1_555 yes
C(50) C(51) 1.37(1) 1_555 1_555 yes
C(51) C(52) 1.37(1) 1_555 1_555 yes
C(53) C(54) 1.52(1) 1_555 1_555 yes
C(55) C(56) 1.38(1) 1_555 1_555 yes
C(55) C(60) 1.38(1) 1_555 1_555 yes
C(56) C(57) 1.39(1) 1_555 1_555 yes
C(57) C(58) 1.34(2) 1_555 1_555 yes
C(58) C(59) 1.39(2) 1_555 1_555 yes
C(59) C(60) 1.38(1) 1_555 1_555 yes
C(61) C(62) 1.37(1) 1_555 1_555 yes
C(61) C(66) 1.39(1) 1_555 1_555 yes
C(62) C(63) 1.38(1) 1_555 1_555 yes
C(63) C(64) 1.35(1) 1_555 1_555 yes
C(64) C(65) 1.38(1) 1_555 1_555 yes
C(65) C(66) 1.38(1) 1_555 1_555 yes
C(67) C(68) 1.31(3) 1_555 1_555 yes
C(67) C(69) 1.36(4) 1_555 2_657 yes
C(68) C(69) 1.32(3) 1_555 1_555 yes
C(70) C(71) 1.25(4) 1_555 1_555 yes
C(70) C(72) 1.47(4) 1_555 2_566 yes
C(71) C(72) 1.14(6) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Mo(1) P(3) 2.527(2) 1_555 1_555
Mo(1) P(4) 2.508(3) 1_555 1_555
O(1) C(73) 3.10(3) 1_555 1_665
O(2) C(28) 3.169(10) 1_555 1_455
O(2) C(27) 3.443(10) 1_555 1_455
O(2) C(22) 3.57(1) 1_555 1_455
C(19) C(67) 3.51(3) 1_555 1_555
C(27) C(53) 3.39(1) 1_555 1_655
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Mo(1) P(1) C(15) C(16) 6(1) 1_555 1_555 1_555 1_555 yes
Mo(1) P(1) C(15) C(20) -171.4(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(1) C(21) C(22) 129.8(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(1) C(21) C(26) -50.1(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(1) C(27) C(28) -52.5(6) 1_555 1_555 1_555 1_555 yes
Mo(1) P(2) C(28) C(27) -15.7(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(2) C(29) C(30) -82.3(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(2) C(29) C(34) 93.6(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(2) C(35) C(36) 163.3(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(2) C(35) C(40) -14.1(10) 1_555 1_555 1_555 1_555 yes
Mo(1) P(3) C(41) C(42) 9.0(9) 1_555 1_555 1_555 1_555 yes
Mo(1) P(3) C(41) C(46) -167.6(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(3) C(47) C(48) 79.1(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(3) C(47) C(52) -98.3(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(3) C(53) C(54) 55.6(6) 1_555 1_555 1_555 1_555 yes
Mo(1) P(4) C(54) C(53) 19.3(7) 1_555 1_555 1_555 1_555 yes
Mo(1) P(4) C(55) C(56) 96.4(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(4) C(55) C(60) -77.1(8) 1_555 1_555 1_555 1_555 yes
Mo(1) P(4) C(61) C(62) 13.1(9) 1_555 1_555 1_555 1_555 yes
Mo(1) P(4) C(61) C(66) -175.0(6) 1_555 1_555 1_555 1_555 yes
Mo(1) N(1) C(1) C(2) -110(4) 1_555 1_555 1_555 1_555 yes
Mo(1) N(2) C(8) C(9) -20(16) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(2) C(28) -11.3(3) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(2) C(29) 107.1(4) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(2) C(35) -127.3(3) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(3) C(41) 169.7(7) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(3) C(47) -59.2(9) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(3) C(53) 58.3(8) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(4) C(54) -161.3(3) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(4) C(55) -45.3(4) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) P(4) C(61) 83.6(3) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) N(1) C(1) 68(4) 1_555 1_555 1_555 1_555 yes
P(1) Mo(1) N(2) C(8) -113(3) 1_555 1_555 1_555 1_555 yes
P(1) C(15) C(16) C(17) -177(1) 1_555 1_555 1_555 1_555 yes
P(1) C(15) C(20) C(19) 176.1(9) 1_555 1_555 1_555 1_555 yes
P(1) C(21) C(22) C(23) 179.1(7) 1_555 1_555 1_555 1_555 yes
P(1) C(21) C(26) C(25) -178.9(8) 1_555 1_555 1_555 1_555 yes
P(1) C(27) C(28) P(2) 44.5(8) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(1) C(15) 142.4(4) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(1) C(21) -86.7(3) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(1) C(27) 31.0(3) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(3) C(41) -109.5(3) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(3) C(47) 21.6(4) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(3) C(53) 139.1(3) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(4) C(54) -64.7(7) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(4) C(55) 51.3(8) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) P(4) C(61) -179.7(6) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) N(1) C(1) -10(4) 1_555 1_555 1_555 1_555 yes
P(2) Mo(1) N(2) C(8) -35(3) 1_555 1_555 1_555 1_555 yes
P(2) C(29) C(30) C(31) 177.7(7) 1_555 1_555 1_555 1_555 yes
P(2) C(29) C(34) C(33) -178.8(7) 1_555 1_555 1_555 1_555 yes
P(2) C(35) C(36) C(37) -177.3(8) 1_555 1_555 1_555 1_555 yes
P(2) C(35) C(40) C(39) 177(1) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(1) C(15) -135.3(7) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(1) C(21) -4.3(9) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(1) C(27) 113.4(7) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(2) C(28) 177.0(3) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(2) C(29) -64.7(4) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(2) C(35) 61.0(3) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(4) C(54) 10.3(3) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(4) C(55) 126.3(4) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) P(4) C(61) -104.7(3) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) N(1) C(1) -110(4) 1_555 1_555 1_555 1_555 yes
P(3) Mo(1) N(2) C(8) 65(3) 1_555 1_555 1_555 1_555 yes
P(3) C(41) C(42) C(43) -176.0(8) 1_555 1_555 1_555 1_555 yes
P(3) C(41) C(46) C(45) 174.7(9) 1_555 1_555 1_555 1_555 yes
P(3) C(47) C(48) C(49) -178.4(7) 1_555 1_555 1_555 1_555 yes
P(3) C(47) C(52) C(51) 178.0(7) 1_555 1_555 1_555 1_555 yes
P(3) C(53) C(54) P(4) -48.6(7) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(1) C(15) -46.5(4) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(1) C(21) 84.5(3) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(1) C(27) -157.8(3) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(2) C(28) -109.8(7) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(2) C(29) 8.6(8) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(2) C(35) 134.2(7) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(3) C(41) 79.1(3) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(3) C(47) -149.8(4) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) P(3) C(53) -32.3(3) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) N(1) C(1) 170(4) 1_555 1_555 1_555 1_555 yes
P(4) Mo(1) N(2) C(8) 143(3) 1_555 1_555 1_555 1_555 yes
P(4) C(55) C(56) C(57) -177.0(8) 1_555 1_555 1_555 1_555 yes
P(4) C(55) C(60) C(59) 177.3(8) 1_555 1_555 1_555 1_555 yes
P(4) C(61) C(62) C(63) 172.2(7) 1_555 1_555 1_555 1_555 yes
P(4) C(61) C(66) C(65) -172.8(7) 1_555 1_555 1_555 1_555 yes
O(1) C(3) C(2) C(1) 10(2) 1_555 1_555 1_555 1_555 yes
O(1) C(3) C(4) C(5) -5(3) 1_555 1_555 1_555 1_555 yes
O(1) C(3) C(4) C(6) -130(2) 1_555 1_555 1_555 1_555 yes
O(1) C(3) C(4) C(7) 110(2) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(9) C(8) -8(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(12) -38(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(13) -166(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(14) 73(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(73) -103(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(74) 150(1) 1_555 1_555 1_555 1_555 yes
O(2) C(10) C(11) C(75) 6(2) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(1) C(15) 53.7(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(1) C(21) -175.4(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(1) C(27) -57.7(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(2) C(28) 76.5(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(2) C(29) -165.2(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(2) C(35) -39.6(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(3) C(41) -19.4(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(3) C(47) 111.7(5) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(3) C(53) -130.8(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(4) C(54) 109.0(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(4) C(55) -135.0(5) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) P(4) C(61) -6.0(4) 1_555 1_555 1_555 1_555 yes
N(1) Mo(1) N(2) C(8) -47(5) 1_555 1_555 1_555 1_555 yes
N(1) C(1) C(2) C(3) -118(1) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(1) C(15) -131.6(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(1) C(21) -0.7(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(1) C(27) 117.0(3) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(2) C(28) -102.3(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(2) C(29) 16.0(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(2) C(35) 141.6(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(3) C(41) 166.0(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(3) C(47) -62.9(5) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(3) C(53) 54.6(3) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(4) C(54) -72.1(3) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(4) C(55) 43.9(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) P(4) C(61) 172.9(4) 1_555 1_555 1_555 1_555 yes
N(2) Mo(1) N(1) C(1) 1(7) 1_555 1_555 1_555 1_555 yes
N(2) C(8) C(9) C(10) -86(13) 1_555 1_555 1_555 1_555 yes
C(1) C(2) C(3) C(4) -170(1) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) 175(1) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(6) 50(2) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(7) -68(2) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(10) C(11) 169(1) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(12) 144(1) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(13) 16(2) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(14) -104(1) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(73) 79(1) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(74) -27(2) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(75) -171(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(12) C(73) -90(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(12) C(75) 101(2) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(13) C(73) 86(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(13) C(74) -95(2) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(14) C(75) -108(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(73) C(12) 106(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(73) C(13) -113(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(74) C(13) 102(2) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(75) C(12) -94(2) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(75) C(14) 93(1) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(73) C(13) -30(1) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(75) C(14) 14(4) 1_555 1_555 1_555 1_555 yes
C(11) C(13) C(73) C(12) 30(1) 1_555 1_555 1_555 1_555 yes
C(11) C(14) C(75) C(12) -14(5) 1_555 1_555 1_555 1_555 yes
C(11) C(73) C(12) C(75) 12(2) 1_555 1_555 1_555 1_555 yes
C(11) C(73) C(13) C(74) -2(3) 1_555 1_555 1_555 1_555 yes
C(11) C(74) C(13) C(73) 2(3) 1_555 1_555 1_555 1_555 yes
C(11) C(75) C(12) C(73) -12(3) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(13) C(73) -39(1) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(13) C(74) 138(2) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(14) C(75) 5(2) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(73) C(13) 139(1) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(74) C(13) -65(3) 1_555 1_555 1_555 1_555 yes
C(12) C(11) C(75) C(14) -171(2) 1_555 1_555 1_555 1_555 yes
C(12) C(73) C(11) C(13) -139(1) 1_555 1_555 1_555 1_555 yes
C(12) C(73) C(11) C(14) -64(4) 1_555 1_555 1_555 1_555 yes
C(12) C(73) C(11) C(74) -137(1) 1_555 1_555 1_555 1_555 yes
C(12) C(73) C(11) C(75) -8(2) 1_555 1_555 1_555 1_555 yes
C(12) C(73) C(13) C(74) 27(4) 1_555 1_555 1_555 1_555 yes
C(12) C(75) C(11) C(13) 76(3) 1_555 1_555 1_555 1_555 yes
C(12) C(75) C(11) C(14) 171(2) 1_555 1_555 1_555 1_555 yes
C(12) C(75) C(11) C(73) 11(2) 1_555 1_555 1_555 1_555 yes
C(12) C(75) C(11) C(74) 126(2) 1_555 1_555 1_555 1_555 yes
C(13) C(11) C(12) C(73) 38(1) 1_555 1_555 1_555 1_555 yes
C(13) C(11) C(12) C(75) -129(2) 1_555 1_555 1_555 1_555 yes
C(13) C(11) C(14) C(75) 128(1) 1_555 1_555 1_555 1_555 yes
C(13) C(11) C(75) C(14) -94(2) 1_555 1_555 1_555 1_555 yes
C(13) C(73) C(11) C(14) 75(4) 1_555 1_555 1_555 1_555 yes
C(13) C(73) C(11) C(74) 1(1) 1_555 1_555 1_555 1_555 yes
C(13) C(73) C(11) C(75) 130(1) 1_555 1_555 1_555 1_555 yes
C(13) C(73) C(12) C(75) -18(3) 1_555 1_555 1_555 1_555 yes
C(13) C(74) C(11) C(14) -160(2) 1_555 1_555 1_555 1_555 yes
C(13) C(74) C(11) C(73) -1(2) 1_555 1_555 1_555 1_555 yes
C(13) C(74) C(11) C(75) -118(2) 1_555 1_555 1_555 1_555 yes
C(14) C(11) C(12) C(73) 160(1) 1_555 1_555 1_555 1_555 yes
C(14) C(11) C(12) C(75) -7(2) 1_555 1_555 1_555 1_555 yes
C(14) C(11) C(13) C(73) -157(1) 1_555 1_555 1_555 1_555 yes
C(14) C(11) C(13) C(74) 19(2) 1_555 1_555 1_555 1_555 yes
C(14) C(75) C(11) C(73) -160(1) 1_555 1_555 1_555 1_555 yes
C(14) C(75) C(11) C(74) -45(2) 1_555 1_555 1_555 1_555 yes
C(14) C(75) C(12) C(73) 1(7) 1_555 1_555 1_555 1_555 yes
C(15) P(1) C(21) C(22) -90.7(8) 1_555 1_555 1_555 1_555 yes
C(15) P(1) C(21) C(26) 89.5(8) 1_555 1_555 1_555 1_555 yes
C(15) P(1) C(27) C(28) 180.0(6) 1_555 1_555 1_555 1_555 yes
C(15) C(16) C(17) C(18) 2(2) 1_555 1_555 1_555 1_555 yes
C(15) C(20) C(19) C(18) 0(2) 1_555 1_555 1_555 1_555 yes
C(16) C(15) P(1) C(21) -131(1) 1_555 1_555 1_555 1_555 yes
C(16) C(15) P(1) C(27) 121(1) 1_555 1_555 1_555 1_555 yes
C(16) C(15) C(20) C(19) -1(1) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(18) C(19) -3(2) 1_555 1_555 1_555 1_555 yes
C(17) C(16) C(15) C(20) 0(2) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(19) C(20) 1(2) 1_555 1_555 1_555 1_555 yes
C(20) C(15) P(1) C(21) 50.2(10) 1_555 1_555 1_555 1_555 yes
C(20) C(15) P(1) C(27) -56.8(10) 1_555 1_555 1_555 1_555 yes
C(21) P(1) C(27) C(28) 75.6(7) 1_555 1_555 1_555 1_555 yes
C(21) C(22) C(23) C(24) 0(1) 1_555 1_555 1_555 1_555 yes
C(21) C(26) C(25) C(24) 0(1) 1_555 1_555 1_555 1_555 yes
C(22) C(21) P(1) C(27) 11.8(9) 1_555 1_555 1_555 1_555 yes
C(22) C(21) C(26) C(25) 1(1) 1_555 1_555 1_555 1_555 yes
C(22) C(23) C(24) C(25) 0(1) 1_555 1_555 1_555 1_555 yes
C(23) C(22) C(21) C(26) -1(1) 1_555 1_555 1_555 1_555 yes
C(23) C(24) C(25) C(26) 0(1) 1_555 1_555 1_555 1_555 yes
C(26) C(21) P(1) C(27) -168.0(7) 1_555 1_555 1_555 1_555 yes
C(27) C(28) P(2) C(29) -144.3(6) 1_555 1_555 1_555 1_555 yes
C(27) C(28) P(2) C(35) 110.5(7) 1_555 1_555 1_555 1_555 yes
C(28) P(2) C(29) C(30) 40.1(8) 1_555 1_555 1_555 1_555 yes
C(28) P(2) C(29) C(34) -144.0(7) 1_555 1_555 1_555 1_555 yes
C(28) P(2) C(35) C(36) 42.5(9) 1_555 1_555 1_555 1_555 yes
C(28) P(2) C(35) C(40) -135.0(9) 1_555 1_555 1_555 1_555 yes
C(29) P(2) C(35) C(36) -62.9(9) 1_555 1_555 1_555 1_555 yes
C(29) P(2) C(35) C(40) 119.7(9) 1_555 1_555 1_555 1_555 yes
C(29) C(30) C(31) C(32) 0(1) 1_555 1_555 1_555 1_555 yes
C(29) C(34) C(33) C(32) 2(1) 1_555 1_555 1_555 1_555 yes
C(30) C(29) P(2) C(35) 144.7(8) 1_555 1_555 1_555 1_555 yes
C(30) C(29) C(34) C(33) -2(1) 1_555 1_555 1_555 1_555 yes
C(30) C(31) C(32) C(33) 0(1) 1_555 1_555 1_555 1_555 yes
C(31) C(30) C(29) C(34) 1(1) 1_555 1_555 1_555 1_555 yes
C(31) C(32) C(33) C(34) 0(1) 1_555 1_555 1_555 1_555 yes
C(34) C(29) P(2) C(35) -39.4(8) 1_555 1_555 1_555 1_555 yes
C(35) C(36) C(37) C(38) 0(1) 1_555 1_555 1_555 1_555 yes
C(35) C(40) C(39) C(38) -1(2) 1_555 1_555 1_555 1_555 yes
C(36) C(35) C(40) C(39) 0(1) 1_555 1_555 1_555 1_555 yes
C(36) C(37) C(38) C(39) -1(2) 1_555 1_555 1_555 1_555 yes
C(37) C(36) C(35) C(40) 0(1) 1_555 1_555 1_555 1_555 yes
C(37) C(38) C(39) C(40) 1(2) 1_555 1_555 1_555 1_555 yes
C(41) P(3) C(47) C(48) -142.8(7) 1_555 1_555 1_555 1_555 yes
C(41) P(3) C(47) C(52) 39.8(8) 1_555 1_555 1_555 1_555 yes
C(41) P(3) C(53) C(54) -69.0(6) 1_555 1_555 1_555 1_555 yes
C(41) C(42) C(43) C(44) 0(1) 1_555 1_555 1_555 1_555 yes
C(41) C(46) C(45) C(44) 2(1) 1_555 1_555 1_555 1_555 yes
C(42) C(41) P(3) C(47) -131.5(8) 1_555 1_555 1_555 1_555 yes
C(42) C(41) P(3) C(53) 123.1(8) 1_555 1_555 1_555 1_555 yes
C(42) C(41) C(46) C(45) -2(1) 1_555 1_555 1_555 1_555 yes
C(42) C(43) C(44) C(45) 0(1) 1_555 1_555 1_555 1_555 yes
C(43) C(42) C(41) C(46) 0(1) 1_555 1_555 1_555 1_555 yes
C(43) C(44) C(45) C(46) -1(2) 1_555 1_555 1_555 1_555 yes
C(46) C(41) P(3) C(47) 51.8(8) 1_555 1_555 1_555 1_555 yes
C(46) C(41) P(3) C(53) -53.6(8) 1_555 1_555 1_555 1_555 yes
C(47) P(3) C(53) C(54) -173.1(6) 1_555 1_555 1_555 1_555 yes
C(47) C(48) C(49) C(50) 1(1) 1_555 1_555 1_555 1_555 yes
C(47) C(52) C(51) C(50) 0(1) 1_555 1_555 1_555 1_555 yes
C(48) C(47) P(3) C(53) -39.5(8) 1_555 1_555 1_555 1_555 yes
C(48) C(47) C(52) C(51) 0(1) 1_555 1_555 1_555 1_555 yes
C(48) C(49) C(50) C(51) -1(1) 1_555 1_555 1_555 1_555 yes
C(49) C(48) C(47) C(52) 0(1) 1_555 1_555 1_555 1_555 yes
C(49) C(50) C(51) C(52) 0(1) 1_555 1_555 1_555 1_555 yes
C(52) C(47) P(3) C(53) 143.1(7) 1_555 1_555 1_555 1_555 yes
C(53) C(54) P(4) C(55) -105.8(7) 1_555 1_555 1_555 1_555 yes
C(53) C(54) P(4) C(61) 149.3(6) 1_555 1_555 1_555 1_555 yes
C(54) P(4) C(55) C(56) -143.1(8) 1_555 1_555 1_555 1_555 yes
C(54) P(4) C(55) C(60) 43.4(8) 1_555 1_555 1_555 1_555 yes
C(54) P(4) C(61) C(62) -107.8(8) 1_555 1_555 1_555 1_555 yes
C(54) P(4) C(61) C(66) 64.1(8) 1_555 1_555 1_555 1_555 yes
C(55) P(4) C(61) C(62) 147.9(8) 1_555 1_555 1_555 1_555 yes
C(55) P(4) C(61) C(66) -40.2(8) 1_555 1_555 1_555 1_555 yes
C(55) C(56) C(57) C(58) 1(1) 1_555 1_555 1_555 1_555 yes
C(55) C(60) C(59) C(58) -2(1) 1_555 1_555 1_555 1_555 yes
C(56) C(55) P(4) C(61) -41.8(8) 1_555 1_555 1_555 1_555 yes
C(56) C(55) C(60) C(59) 3(1) 1_555 1_555 1_555 1_555 yes
C(56) C(57) C(58) C(59) 0(2) 1_555 1_555 1_555 1_555 yes
C(57) C(56) C(55) C(60) -3(1) 1_555 1_555 1_555 1_555 yes
C(57) C(58) C(59) C(60) 0(2) 1_555 1_555 1_555 1_555 yes
C(60) C(55) P(4) C(61) 144.7(7) 1_555 1_555 1_555 1_555 yes
C(61) C(62) C(63) C(64) 1(1) 1_555 1_555 1_555 1_555 yes
C(61) C(66) C(65) C(64) 0(1) 1_555 1_555 1_555 1_555 yes
C(62) C(61) C(66) C(65) 0(1) 1_555 1_555 1_555 1_555 yes
C(62) C(63) C(64) C(65) -2(1) 1_555 1_555 1_555 1_555 yes
C(63) C(62) C(61) C(66) 0(1) 1_555 1_555 1_555 1_555 yes
C(63) C(64) C(65) C(66) 1(1) 1_555 1_555 1_555 1_555 yes
C(73) C(11) C(12) C(75) -167(2) 1_555 1_555 1_555 1_555 yes
C(73) C(11) C(13) C(74) 177(2) 1_555 1_555 1_555 1_555 yes
C(73) C(11) C(14) C(75) 62(4) 1_555 1_555 1_555 1_555 yes
C(73) C(12) C(11) C(74) 77(2) 1_555 1_555 1_555 1_555 yes
C(73) C(12) C(11) C(75) 167(2) 1_555 1_555 1_555 1_555 yes
C(73) C(13) C(11) C(74) -177(2) 1_555 1_555 1_555 1_555 yes
C(73) C(13) C(11) C(75) -84(2) 1_555 1_555 1_555 1_555 yes
C(74) C(11) C(12) C(75) -90(3) 1_555 1_555 1_555 1_555 yes
C(74) C(11) C(14) C(75) 141(2) 1_555 1_555 1_555 1_555 yes
C(74) C(13) C(11) C(75) 93(3) 1_555 1_555 1_555 1_555 yes
