# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1651 
 
data_feb400
 
_audit_creation_date            2000-02-02T10:40:37-00:00
_audit_creation_method         'WinGX routine CIF_UPDATE'
_audit_conform_dict_name        cif_core.dic
_audit_conform_dict_version     2.1beta5
_audit_conform_dict_location    ftp://ftp.iucr.org/cifdics/cif_core_2.1beta5.dic
_publ_requested_category        FM
 
#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#
 
_chemical_name_systematic
;
 ?
;
_chemical_name_common                   '[Mo(CO)3{P3C2tBu2C(tBu)(C3N2Me4)}]'
_chemical_formula_moiety                'C25 H39 Mo1 N2 O3 P3'
_chemical_formula_structural            'C25 H39 N2 MO O3 P3'
_chemical_formula_sum                   'C25 H39 Mo N2 O3 P3'
_chemical_formula_weight                604.43
_chemical_compound_source               'synthesis as described'
 
#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#
 
_symmetry_cell_setting                  triclinic
_symmetry_space_group_name_H-M          P-1
_symmetry_space_group_name_Hall         '-P 1'
_symmetry_Int_Tables_number             2
loop_
    _symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
 
_cell_length_a                          10.5667(3)
_cell_length_b                          10.9262(3)
_cell_length_c                          13.8900(4)
_cell_angle_alpha                       90.436(2)
_cell_angle_beta                        96.562(2)
_cell_angle_gamma                       114.401(2)
_cell_volume                            1448.18(7)
_cell_formula_units_Z                   2
_cell_measurement_temperature           173(2)
_cell_measurement_reflns_used           10211
_cell_measurement_theta_min             4.529
_cell_measurement_theta_max             25.028
_cell_measurement_wavelength            0.71073
 
#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#
 
_exptl_crystal_description              plate
_exptl_crystal_colour                   orange
_exptl_crystal_size_max                 0.4
_exptl_crystal_size_mid                 0.3
_exptl_crystal_size_min                 0.2
_exptl_crystal_density_diffrn           1.386
_exptl_crystal_density_method           'not measured'
_exptl_crystal_F_000                    628
_exptl_special_details
;
 ?
;
 
#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#
 
_exptl_absorpt_coefficient_mu           0.646
_exptl_absorpt_correction_type          multi-scan
_exptl_absorpt_process_details
;
        [c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min         0.812
_exptl_absorpt_correction_T_max         0.876
 
#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#
 
_diffrn_ambient_temperature             173(2)
_diffrn_radiation_wavelength            0.71073
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_monochromator         graphite
_diffrn_radiation_probe                 x-ray
_diffrn_measurement_device              KappaCCD
_diffrn_measurement_method              CCD
_diffrn_reflns_number                   13414
_diffrn_reflns_av_R_equivalents         0.0349
_diffrn_reflns_av_sigmaI/netI           0.0361
_diffrn_reflns_limit_h_min              -10
_diffrn_reflns_limit_h_max              12
_diffrn_reflns_limit_k_min              -12
_diffrn_reflns_limit_k_max              12
_diffrn_reflns_limit_l_min              -16
_diffrn_reflns_limit_l_max              16
_diffrn_reflns_theta_min                4.62
_diffrn_reflns_theta_max                25.07
_diffrn_reflns_theta_full               25.07
_diffrn_measured_fraction_theta_full
                                        0.982
_diffrn_measured_fraction_theta_max
                                        0.982
_reflns_number_total                    5046
_reflns_number_gt                       4645
_reflns_threshold_expression            >2sigma(I)
 
#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#
 
_computing_cell_refinement
                                       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
                             'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_solution           'SHELXS_97 (Sheldrick, 1997)'
_computing_structure_refinement         'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics           'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material
                                   'WinGX publication routines (Farrugia, 1999)'
 
#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#
 
_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F^2^, conventional R-factors R are based
 on F, with F set to zero for negative F^2^. The threshold expression of
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F^2^ are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef        Fsqd
_refine_ls_matrix_type                  full
_refine_ls_weighting_scheme             calc
_refine_ls_weighting_details
         'calc w=1/[\s^2^(Fo^2^)+(0.0160P)^2^+0.9906P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary            direct
_atom_sites_solution_secondary          difmap
_atom_sites_solution_hydrogens          geom
_refine_ls_hydrogen_treatment           mixed
_refine_ls_extinction_method            none
_refine_ls_number_reflns                5046
_refine_ls_number_parameters            320
_refine_ls_number_restraints            0
_refine_ls_R_factor_all                 0.0275
_refine_ls_R_factor_gt                  0.0242
_refine_ls_wR_factor_ref                0.0592
_refine_ls_wR_factor_gt                 0.0576
_refine_ls_goodness_of_fit_ref          1.026
_refine_ls_restrained_S_all             1.026
_refine_ls_shift/su_max                 0.001
_refine_ls_shift/su_mean                0
_refine_diff_density_max                0.307
_refine_diff_density_min                -0.412
_refine_diff_density_rms                0.052
 
#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#
 
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
loop_
    _atom_site_label
    _atom_site_type_symbol
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_disorder_assembly
    _atom_site_disorder_group
Mo Mo 0.354221(16) 0.753252(16) 0.238125(11) 0.01859(7) Uani 1 1 d . . .
P1 P 0.48569(5) 0.65914(5) 0.13042(4) 0.02229(12) Uani 1 1 d . A 1
P2 P 0.60498(5) 0.78537(5) 0.25469(3) 0.01901(12) Uani 1 1 d . A 1
P3 P 0.37085(5) 0.55093(5) 0.32311(4) 0.02212(12) Uani 1 1 d . A 1
O1 O 0.43298(19) 1.06150(16) 0.26403(14) 0.0458(4) Uani 1 1 d . A 1
O2 O 0.13907(18) 0.72121(18) 0.38314(12) 0.0420(4) Uani 1 1 d . A 1
O3 O 0.14007(17) 0.7450(2) 0.06087(12) 0.0478(5) Uani 1 1 d . A 1
N1 N 0.84279(17) 1.14945(16) 0.33050(12) 0.0234(4) Uani 1 1 d . A 1
N2 N 0.72025(17) 1.11025(17) 0.18973(12) 0.0255(4) Uani 1 1 d . A 1
C1 C 0.4051(2) 0.9473(2) 0.25422(16) 0.0292(5) Uani 1 1 d . A 1
C2 C 0.2174(2) 0.7337(2) 0.32814(15) 0.0270(5) Uani 1 1 d . A 1
C3 C 0.2189(2) 0.7474(2) 0.12696(15) 0.0294(5) Uani 1 1 d . A 1
C4 C 0.3612(2) 0.53840(19) 0.19561(14) 0.0210(4) Uani 1 1 d . A 1
C5 C 0.5209(2) 0.70287(19) 0.35292(13) 0.0200(4) Uani 1 1 d . A 1
C6 C 0.2463(2) 0.4091(2) 0.14051(15) 0.0262(5) Uani 1 1 d . A 1
C7 C 0.2150(2) 0.4328(2) 0.03366(15) 0.0356(5) Uani 1 1 d . A 1
H7A H 0.1404 0.3505 0.0011 0.053 Uiso 1 1 calc R A 1
H7B H 0.2998 0.4566 0.0021 0.053 Uiso 1 1 calc R A 1
H7C H 0.1849 0.5064 0.0293 0.053 Uiso 1 1 calc R A 1
C8 C 0.3008(3) 0.2996(2) 0.14673(19) 0.0399(6) Uani 1 1 d . A 1
H8A H 0.2291 0.2157 0.1141 0.06 Uiso 1 1 calc R A 1
H8B H 0.3223 0.2849 0.215 0.06 Uiso 1 1 calc R A 1
H8C H 0.3859 0.3277 0.1151 0.06 Uiso 1 1 calc R A 1
C9 C 0.1094(2) 0.3629(2) 0.18507(18) 0.0388(6) Uani 1 1 d . A 1
H9A H 0.0767 0.4348 0.1831 0.058 Uiso 1 1 calc R A 1
H9B H 0.1252 0.3417 0.2526 0.058 Uiso 1 1 calc R A 1
H9C H 0.0384 0.2824 0.148 0.058 Uiso 1 1 calc R A 1
C10 C 0.5732(2) 0.7575(2) 0.45965(14) 0.0243(4) Uani 1 1 d . A 1
C11 C 0.4694(2) 0.6744(2) 0.52841(15) 0.0334(5) Uani 1 1 d . A 1
H11A H 0.5046 0.7131 0.5951 0.05 Uiso 1 1 calc R A 1
H11B H 0.4596 0.5812 0.5248 0.05 Uiso 1 1 calc R A 1
H11C H 0.378 0.676 0.5091 0.05 Uiso 1 1 calc R A 1
C12 C 0.7145(2) 0.7500(2) 0.48933(15) 0.0307(5) Uani 1 1 d . A 1
H12A H 0.7826 0.8051 0.4476 0.046 Uiso 1 1 calc R A 1
H12B H 0.7022 0.6563 0.4822 0.046 Uiso 1 1 calc R A 1
H12C H 0.7486 0.7838 0.5571 0.046 Uiso 1 1 calc R A 1
C13 C 0.5899(3) 0.9027(2) 0.47217(15) 0.0322(5) Uani 1 1 d . A 1
H13A H 0.6314 0.9382 0.5388 0.048 Uiso 1 1 calc R A 1
H13B H 0.4978 0.9051 0.4591 0.048 Uiso 1 1 calc R A 1
H13C H 0.6512 0.9579 0.4266 0.048 Uiso 1 1 calc R A 1
C14 C 0.76678(19) 0.91555(19) 0.25511(14) 0.0203(4) Uani 1 1 d . A 1
C15 C 0.8881(2) 0.8883(2) 0.21960(15) 0.0266(5) Uani 1 1 d . A 1
C16 C 1.0296(2) 0.9772(2) 0.27886(19) 0.0379(6) Uani 1 1 d . A 1
H16A H 1.1047 0.9622 0.2527 0.057 Uiso 1 1 calc R A 1
H16B H 1.0279 0.9539 0.3468 0.057 Uiso 1 1 calc R A 1
H16C H 1.0465 1.0721 0.2749 0.057 Uiso 1 1 calc R A 1
C17 C 0.8986(3) 0.9190(3) 0.11247(17) 0.0401(6) Uani 1 1 d . A 1
H17A H 0.9158 1.0133 0.1045 0.06 Uiso 1 1 calc R A 1
H17B H 0.8108 0.8604 0.0729 0.06 Uiso 1 1 calc R A 1
H17C H 0.9761 0.9027 0.0915 0.06 Uiso 1 1 calc R A 1
C18 C 0.8649(2) 0.7414(2) 0.23079(18) 0.0338(5) Uani 1 1 d . A 1
H18A H 0.9455 0.7286 0.2121 0.051 Uiso 1 1 calc R A 1
H18B H 0.7798 0.6821 0.1889 0.051 Uiso 1 1 calc R A 1
H18C H 0.8546 0.7195 0.2986 0.051 Uiso 1 1 calc R A 1
C19 C 0.77553(19) 1.0517(2) 0.25796(14) 0.0212(4) Uani 1 1 d . A 1
C20 C 0.8279(2) 1.2666(2) 0.30778(16) 0.0294(5) Uani 1 1 d . A 1
C21 C 0.7496(2) 1.2416(2) 0.22006(17) 0.0315(5) Uani 1 1 d . A 1
C22 C 0.9169(2) 1.1348(2) 0.42156(16) 0.0348(5) Uani 1 1 d . A 1
H22A H 0.9013 1.0403 0.4266 0.052 Uiso 1 1 calc R A 1
H22B H 0.8819 1.1632 0.476 0.052 Uiso 1 1 calc R A 1
H22C H 1.0174 1.1909 0.4234 0.052 Uiso 1 1 calc R A 1
C23 C 0.8948(3) 1.3920(2) 0.37291(19) 0.0435(6) Uani 1 1 d . A 1
H23A H 0.8733 1.4633 0.343 0.065 Uiso 1 1 calc R A 1
H23B H 0.9965 1.4205 0.3829 0.065 Uiso 1 1 calc R A 1
H23C H 0.8585 1.3744 0.4356 0.065 Uiso 1 1 calc R A 1
C24 C 0.6999(3) 1.3288(3) 0.1604(2) 0.0565(8) Uani 1 1 d . A 1
H24A H 0.7303 1.4165 0.1954 0.085 Uiso 1 1 calc R A 1
H24B H 0.5973 1.2863 0.1476 0.085 Uiso 1 1 calc R A 1
H24C H 0.7391 1.3414 0.0987 0.085 Uiso 1 1 calc R A 1
C25 C 0.6416(2) 1.0467(2) 0.09580(15) 0.0352(5) Uani 1 1 d . A 1
H25A H 0.6416 0.9576 0.0871 0.053 Uiso 1 1 calc R A 1
H25B H 0.6856 1.1027 0.0438 0.053 Uiso 1 1 calc R A 1
H25C H 0.545 1.0372 0.0935 0.053 Uiso 1 1 calc R A 1
M1 C 0.4687 0.6473 0.2514 0 Uiso 0 1 d P A 2
 
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_23
    _atom_site_aniso_U_13
    _atom_site_aniso_U_12
Mo 0.01647(10) 0.02002(10) 0.01839(10) 0.00138(7) 0.00187(7) 0.00679(7)
P1 0.0196(3) 0.0225(3) 0.0196(3) -0.0028(2) 0.0030(2) 0.0037(2)
P2 0.0166(2) 0.0193(3) 0.0187(2) -0.0013(2) 0.00126(19) 0.0054(2)
P3 0.0222(3) 0.0198(3) 0.0218(3) 0.0030(2) 0.0032(2) 0.0060(2)
O1 0.0500(11) 0.0230(9) 0.0680(12) 0.0052(8) 0.0163(9) 0.0165(8)
O2 0.0452(10) 0.0548(11) 0.0361(9) 0.0073(8) 0.0221(8) 0.0263(9)
O3 0.0353(9) 0.0798(14) 0.0317(9) 0.0036(9) -0.0075(8) 0.0303(9)
N1 0.0210(8) 0.0192(9) 0.0267(9) -0.0029(7) 0.0021(7) 0.0053(7)
N2 0.0230(9) 0.0235(9) 0.0271(9) 0.0061(7) 0.0016(7) 0.0071(7)
C1 0.0228(11) 0.0313(13) 0.0349(12) 0.0062(10) 0.0067(9) 0.0120(10)
C2 0.0301(12) 0.0255(11) 0.0273(11) 0.0019(9) 0.0027(9) 0.0139(9)
C3 0.0242(11) 0.0369(13) 0.0289(11) 0.0012(9) 0.0071(9) 0.0135(10)
C4 0.0199(10) 0.0173(10) 0.0241(10) -0.0008(8) 0.0020(8) 0.0063(8)
C5 0.0209(10) 0.0204(10) 0.0203(10) 0.0013(8) -0.0004(8) 0.0110(8)
C6 0.0227(11) 0.0195(10) 0.0291(11) -0.0046(8) 0.0028(8) 0.0016(9)
C7 0.0323(12) 0.0315(12) 0.0298(12) -0.0061(10) -0.0034(9) 0.0022(10)
C8 0.0429(14) 0.0241(12) 0.0484(14) -0.0077(10) -0.0003(11) 0.0114(11)
C9 0.0264(12) 0.0333(13) 0.0429(14) -0.0065(11) 0.0066(10) -0.0017(10)
C10 0.0252(11) 0.0272(11) 0.0190(10) -0.0007(8) -0.0006(8) 0.0105(9)
C11 0.0359(12) 0.0411(14) 0.0202(10) 0.0024(9) 0.0039(9) 0.0130(11)
C12 0.0290(12) 0.0352(12) 0.0266(11) 0.0029(9) -0.0044(9) 0.0140(10)
C13 0.0429(13) 0.0307(12) 0.0236(11) -0.0044(9) -0.0001(9) 0.0173(11)
C14 0.0163(9) 0.0200(10) 0.0223(10) -0.0002(8) 0.0019(7) 0.0053(8)
C15 0.0198(10) 0.0243(11) 0.0342(11) -0.0029(9) 0.0037(9) 0.0079(9)
C16 0.0183(11) 0.0324(13) 0.0607(16) -0.0064(11) 0.0040(10) 0.0087(10)
C17 0.0426(14) 0.0435(14) 0.0400(13) 0.0036(11) 0.0195(11) 0.0199(12)
C18 0.0251(12) 0.0267(12) 0.0528(15) -0.0011(10) 0.0076(10) 0.0133(10)
C19 0.0148(9) 0.0230(10) 0.0229(10) 0.0013(8) 0.0036(8) 0.0048(8)
C20 0.0268(11) 0.0187(11) 0.0405(13) 0.0016(9) 0.0124(10) 0.0054(9)
C21 0.0282(11) 0.0209(11) 0.0465(14) 0.0094(10) 0.0100(10) 0.0098(9)
C22 0.0328(12) 0.0348(13) 0.0299(12) -0.0091(10) -0.0075(9) 0.0103(10)
C23 0.0488(15) 0.0236(12) 0.0538(15) -0.0062(11) 0.0174(12) 0.0084(11)
C24 0.0669(19) 0.0391(15) 0.071(2) 0.0191(14) 0.0077(15) 0.0296(14)
C25 0.0319(12) 0.0378(13) 0.0259(11) 0.0087(10) -0.0034(9) 0.0063(10)
 
 
#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_distance
    _geom_bond_site_symmetry_2
    _geom_bond_publ_flag
Mo C3 1.962(2) . ?
Mo C1 1.964(2) . ?
Mo C2 1.965(2) . ?
Mo M1 1.98644(17) . ?
Mo C4 2.4488(19) . ?
Mo C5 2.4739(19) . ?
Mo P2 2.5076(5) . ?
Mo P3 2.5737(6) . ?
Mo P1 2.6187(5) . ?
P1 C4 1.774(2) . ?
P1 P2 2.1214(7) . ?
P2 C14 1.7130(19) . ?
P2 C5 1.760(2) . ?
P3 C5 1.7623(19) . ?
P3 C4 1.763(2) . ?
O1 C1 1.161(3) . ?
O2 C2 1.158(3) . ?
O3 C3 1.159(3) . ?
N1 C19 1.361(2) . ?
N1 C20 1.388(3) . ?
N1 C22 1.456(3) . ?
N2 C19 1.356(3) . ?
N2 C21 1.388(3) . ?
N2 C25 1.461(3) . ?
C4 C6 1.552(3) . ?
C5 C10 1.545(3) . ?
C6 C8 1.526(3) . ?
C6 C9 1.529(3) . ?
C6 C7 1.531(3) . ?
C10 C13 1.529(3) . ?
C10 C12 1.538(3) . ?
C10 C11 1.539(3) . ?
C14 C19 1.452(3) . ?
C14 C15 1.559(3) . ?
C15 C18 1.533(3) . ?
C15 C17 1.534(3) . ?
C15 C16 1.538(3) . ?
C20 C21 1.350(3) . ?
C20 C23 1.493(3) . ?
C21 C24 1.483(3) . ?
 
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
    _geom_angle_publ_flag
C3 Mo C1 87.42(9) . . ?
C3 Mo C2 91.01(9) . . ?
C1 Mo C2 85.51(9) . . ?
C3 Mo M1 127.28(6) . . ?
C1 Mo M1 131.93(6) . . ?
C2 Mo M1 120.60(6) . . ?
C3 Mo C4 96.45(8) . . ?
C1 Mo C4 161.63(8) . . ?
C2 Mo C4 112.28(8) . . ?
M1 Mo C4 35.02(4) . . ?
C3 Mo C5 163.64(8) . . ?
C1 Mo C5 107.38(8) . . ?
C2 Mo C5 96.94(8) . . ?
M1 Mo C5 36.79(4) . . ?
C4 Mo C5 67.31(6) . . ?
C3 Mo P2 133.37(6) . . ?
C1 Mo P2 93.07(6) . . ?
C2 Mo P2 135.56(6) . . ?
M1 Mo P2 39.432(12) . . ?
C4 Mo P2 71.22(5) . . ?
C5 Mo P2 41.38(5) . . ?
C3 Mo P3 126.95(7) . . ?
C1 Mo P3 143.88(6) . . ?
C2 Mo P3 83.37(6) . . ?
M1 Mo P3 38.105(12) . . ?
C4 Mo P3 41.01(5) . . ?
C5 Mo P3 40.81(5) . . ?
P2 Mo P3 72.001(17) . . ?
C3 Mo P1 92.15(6) . . ?
C1 Mo P1 121.32(6) . . ?
C2 Mo P1 153.09(6) . . ?
M1 Mo P1 40.762(12) . . ?
C4 Mo P1 40.82(5) . . ?
C5 Mo P1 74.37(5) . . ?
P2 Mo P1 48.832(16) . . ?
P3 Mo P1 73.438(17) . . ?
C4 P1 P2 95.20(6) . . ?
C4 P1 Mo 64.44(6) . . ?
P2 P1 Mo 62.852(19) . . ?
C14 P2 C5 129.43(9) . . ?
C14 P2 P1 124.44(7) . . ?
C5 P2 P1 104.64(7) . . ?
C14 P2 Mo 137.69(7) . . ?
C5 P2 Mo 68.28(6) . . ?
P1 P2 Mo 68.32(2) . . ?
C5 P3 C4 101.40(9) . . ?
C5 P3 Mo 66.55(6) . . ?
C4 P3 Mo 65.69(7) . . ?
C19 N1 C20 110.69(17) . . ?
C19 N1 C22 125.80(18) . . ?
C20 N1 C22 123.48(17) . . ?
C19 N2 C21 110.91(17) . . ?
C19 N2 C25 125.59(18) . . ?
C21 N2 C25 123.50(18) . . ?
O1 C1 Mo 178.86(19) . . ?
O2 C2 Mo 178.11(19) . . ?
O3 C3 Mo 179.3(2) . . ?
C6 C4 P3 117.65(14) . . ?
C6 C4 P1 119.38(14) . . ?
P3 C4 P1 122.73(11) . . ?
C6 C4 Mo 130.12(14) . . ?
P3 C4 Mo 73.30(7) . . ?
P1 C4 Mo 74.74(7) . . ?
C10 C5 P2 123.15(14) . . ?
C10 C5 P3 120.85(14) . . ?
P2 C5 P3 116.00(10) . . ?
C10 C5 Mo 127.01(13) . . ?
P2 C5 Mo 70.34(6) . . ?
P3 C5 Mo 72.64(6) . . ?
C8 C6 C9 109.79(19) . . ?
C8 C6 C7 109.13(18) . . ?
C9 C6 C7 107.77(18) . . ?
C8 C6 C4 107.65(17) . . ?
C9 C6 C4 111.29(16) . . ?
C7 C6 C4 111.19(17) . . ?
C13 C10 C12 110.15(17) . . ?
C13 C10 C11 107.07(17) . . ?
C12 C10 C11 108.58(17) . . ?
C13 C10 C5 110.76(17) . . ?
C12 C10 C5 108.62(16) . . ?
C11 C10 C5 111.64(16) . . ?
C19 C14 C15 119.50(16) . . ?
C19 C14 P2 117.83(14) . . ?
C15 C14 P2 119.68(14) . . ?
C18 C15 C17 108.61(18) . . ?
C18 C15 C16 107.31(19) . . ?
C17 C15 C16 108.06(19) . . ?
C18 C15 C14 111.22(17) . . ?
C17 C15 C14 110.46(18) . . ?
C16 C15 C14 111.06(16) . . ?
N2 C19 N1 104.75(17) . . ?
N2 C19 C14 128.19(17) . . ?
N1 C19 C14 127.06(18) . . ?
C21 C20 N1 106.87(18) . . ?
C21 C20 C23 130.8(2) . . ?
N1 C20 C23 122.3(2) . . ?
C20 C21 N2 106.76(19) . . ?
C20 C21 C24 130.7(2) . . ?
N2 C21 C24 122.5(2) . . ?