#------------------------------------------------------------------------------
#$Date: 2019-11-17 04:49:07 +0100 (Sun 17 de Nov de 2019) $
#$Revision: 228217 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/11/7121172.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_7121172
loop_
_publ_author_name
'Frogley, Benjamin J.'
'Hill, Anthony F.'
_publ_section_title
;
 A complete set of pnictocarbynes: [M([triple bond, length as
 m-dash]CAPh₂)(CO)₂(Tp*)] (M = Mo, W; A = N, P, As,
 Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2126
_journal_page_last               2129
_journal_paper_doi               10.1039/c8cc00143j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C30 H32 B Mo N7 O2'
_chemical_formula_weight         629.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2017-11-29 deposited with the CCDC.
2018-01-22 downloaded from the CCDC.
;
_cell_angle_alpha                77.570(2)
_cell_angle_beta                 87.661(2)
_cell_angle_gamma                80.033(2)
_cell_formula_units_Z            2
_cell_length_a                   8.01890(10)
_cell_length_b                   10.2181(2)
_cell_length_c                   18.5046(4)
_cell_measurement_reflns_used    18123
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      73.6860
_cell_measurement_theta_min      4.4750
_cell_volume                     1458.33(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_detector_area_resol_mean 8.1297
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0359
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29604
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.817
_diffrn_reflns_theta_min         2.445
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    4.002
_exptl_absorpt_correction_T_max  0.933
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
                        a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.433
_exptl_crystal_description       needle
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.456
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.045
_refine_diff_density_max         0.713
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0277P)²+0.9136P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0626
_refine_ls_wR_factor_ref         0.0634
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5651
_reflns_number_total             5895
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8cc00143j2.cif
_cod_data_source_block           Compound_2a
_cod_depositor_comments
'Adding full bibliography for 7121172--7121177.cif.'
_cod_database_code               7121172
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Mo Mo 0.01641(2) 0.53814(2) 0.27409(2) 0.02017(5) Uani 1 1 d . .
O1 O 0.3401(2) 0.34477(17) 0.23635(11) 0.0461(4) Uani 1 1 d . .
O2 O -0.1227(3) 0.27324(17) 0.34995(9) 0.0489(4) Uani 1 1 d . .
N1 N 0.1292(2) 0.56697(17) 0.38122(9) 0.0275(3) Uani 1 1 d . .
N2 N 0.1187(2) 0.69645(18) 0.39273(9) 0.0275(3) Uani 1 1 d . .
N3 N 0.1208(2) 0.72630(16) 0.22534(8) 0.0225(3) Uani 1 1 d . .
N4 N 0.1071(2) 0.83112(16) 0.26239(9) 0.0238(3) Uani 1 1 d . .
N5 N -0.1953(2) 0.68678(16) 0.30654(9) 0.0233(3) Uani 1 1 d . .
N6 N -0.1632(2) 0.79585(16) 0.33311(9) 0.0252(3) Uani 1 1 d . .
N7 N -0.1496(2) 0.48042(16) 0.13393(9) 0.0235(3) Uani 1 1 d . .
C1 C -0.0785(2) 0.50918(18) 0.19206(10) 0.0223(3) Uani 1 1 d . .
C2 C 0.2229(3) 0.4167(2) 0.25038(12) 0.0293(4) Uani 1 1 d . .
C3 C -0.0736(3) 0.3720(2) 0.32573(11) 0.0305(4) Uani 1 1 d . .
C4 C -0.1608(2) 0.34005(18) 0.13495(10) 0.0232(4) Uani 1 1 d . .
C5 C -0.2715(3) 0.2764(2) 0.18381(11) 0.0293(4) Uani 1 1 d . .
H5 H -0.338856 0.323383 0.215218 0.035 Uiso 1 1 calc R U
C6 C -0.2808(3) 0.1410(2) 0.18541(13) 0.0376(5) Uani 1 1 d . .
H6 H -0.354382 0.096917 0.218247 0.045 Uiso 1 1 calc R U
C7 C -0.1817(3) 0.0724(2) 0.13861(14) 0.0421(6) Uani 1 1 d . .
H7 H -0.187642 -0.018241 0.140219 0.051 Uiso 1 1 calc R U
C8 C -0.0728(3) 0.1375(2) 0.08902(13) 0.0399(5) Uani 1 1 d . .
H8 H -0.007985 0.090894 0.056735 0.048 Uiso 1 1 calc R U
C9 C -0.0601(3) 0.2718(2) 0.08733(11) 0.0302(4) Uani 1 1 d . .
H9 H 0.014506 0.315309 0.054850 0.036 Uiso 1 1 calc R U
C10 C -0.2317(2) 0.58727(19) 0.07718(10) 0.0236(4) Uani 1 1 d . .
C11 C -0.3048(2) 0.5580(2) 0.01680(11) 0.0265(4) Uani 1 1 d . .
H11 H -0.299681 0.468252 0.012806 0.032 Uiso 1 1 calc R U
C12 C -0.3854(3) 0.6635(2) -0.03755(11) 0.0304(4) Uani 1 1 d . .
H12 H -0.433552 0.643652 -0.077941 0.036 Uiso 1 1 calc R U
C13 C -0.3948(3) 0.7970(2) -0.03226(12) 0.0324(4) Uani 1 1 d . .
H13 H -0.449474 0.866970 -0.068660 0.039 Uiso 1 1 calc R U
C14 C -0.3218(3) 0.8262(2) 0.02804(12) 0.0341(4) Uani 1 1 d . .
H14 H -0.327869 0.916182 0.031806 0.041 Uiso 1 1 calc R U
C15 C -0.2397(3) 0.7224(2) 0.08278(11) 0.0304(4) Uani 1 1 d . .
H15 H -0.190636 0.742750 0.122789 0.037 Uiso 1 1 calc R U
C16 C 0.2517(4) 0.3332(3) 0.44625(15) 0.0502(6) Uani 1 1 d . .
H16A H 0.299142 0.311525 0.400950 0.075 Uiso 1 1 calc R U
H16B H 0.148195 0.297504 0.457073 0.075 Uiso 1 1 calc R U
H16C H 0.330507 0.293773 0.485841 0.075 Uiso 1 1 calc R U
C17 C 0.2161(3) 0.4841(2) 0.43827(12) 0.0350(5) Uani 1 1 d . .
C18 C 0.2629(3) 0.5598(3) 0.48615(12) 0.0403(5) Uani 1 1 d . .
H18 H 0.324323 0.526478 0.529719 0.048 Uiso 1 1 calc R U
C19 C 0.2003(3) 0.6928(2) 0.45618(11) 0.0338(5) Uani 1 1 d . .
C20 C 0.2139(3) 0.8195(3) 0.48298(13) 0.0444(6) Uani 1 1 d . .
H20A H 0.104295 0.858882 0.498275 0.067 Uiso 1 1 calc R U
H20B H 0.255855 0.883504 0.443668 0.067 Uiso 1 1 calc R U
H20C H 0.290394 0.796835 0.524102 0.067 Uiso 1 1 calc R U
C21 C 0.2524(3) 0.6735(2) 0.10867(11) 0.0338(4) Uani 1 1 d . .
H21A H 0.153195 0.639498 0.098831 0.051 Uiso 1 1 calc R U
H21B H 0.339788 0.598540 0.128019 0.051 Uiso 1 1 calc R U
H21C H 0.291190 0.725763 0.063619 0.051 Uiso 1 1 calc R U
C22 C 0.2108(2) 0.7612(2) 0.16381(10) 0.0263(4) Uani 1 1 d . .
C23 C 0.2570(3) 0.8873(2) 0.16160(11) 0.0308(4) Uani 1 1 d . .
H23 H 0.320727 0.934137 0.125027 0.037 Uiso 1 1 calc R U
C24 C 0.1899(2) 0.9290(2) 0.22419(11) 0.0277(4) Uani 1 1 d . .
C25 C 0.1964(3) 1.0586(2) 0.24803(13) 0.0358(5) Uani 1 1 d . .
H25A H 0.250206 1.038685 0.295462 0.054 Uiso 1 1 calc R U
H25B H 0.083378 1.106711 0.251519 0.054 Uiso 1 1 calc R U
H25C H 0.259751 1.113778 0.212449 0.054 Uiso 1 1 calc R U
C26 C -0.4476(3) 0.5881(2) 0.28600(13) 0.0356(5) Uani 1 1 d . .
H26A H -0.408410 0.499667 0.315823 0.053 Uiso 1 1 calc R U
H26B H -0.420798 0.587706 0.235007 0.053 Uiso 1 1 calc R U
H26C H -0.567930 0.611188 0.291651 0.053 Uiso 1 1 calc R U
C27 C -0.3629(2) 0.6907(2) 0.31017(11) 0.0271(4) Uani 1 1 d . .
C28 C -0.4391(3) 0.8016(2) 0.33934(12) 0.0315(4) Uani 1 1 d . .
H28 H -0.554185 0.827475 0.347413 0.038 Uiso 1 1 calc R U
C29 C -0.3099(3) 0.8653(2) 0.35381(11) 0.0293(4) Uani 1 1 d . .
C30 C -0.3189(3) 0.9869(2) 0.38746(14) 0.0401(5) Uani 1 1 d . .
H30A H -0.264950 0.960094 0.434960 0.060 Uiso 1 1 calc R U
H30B H -0.435342 1.025647 0.393267 0.060 Uiso 1 1 calc R U
H30C H -0.262356 1.053145 0.355744 0.060 Uiso 1 1 calc R U
B B 0.0203(3) 0.8193(2) 0.33883(12) 0.0265(4) Uani 1 1 d . .
H98 H 0.028112 0.926477 0.360600 0.032 Uiso 1 1 d R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0483 2.7339 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
C1 Mo C2 86.90(8)
C1 Mo C3 84.16(8)
C2 Mo C3 87.95(8)
C1 Mo N3 100.30(7)
C2 Mo N3 93.21(7)
C3 Mo N3 175.44(7)
C1 Mo N5 98.91(7)
C2 Mo N5 173.28(7)
C3 Mo N5 95.95(7)
N3 Mo N5 82.48(6)
C1 Mo N1 177.20(7)
C2 Mo N1 93.58(7)
C3 Mo N1 93.10(7)
N3 Mo N1 82.43(6)
N5 Mo N1 80.78(6)
C17 N1 N2 106.42(17)
C17 N1 Mo 134.87(15)
N2 N1 Mo 118.62(12)
C19 N2 N1 109.77(17)
C19 N2 B 129.32(18)
N1 N2 B 120.89(15)
C22 N3 N4 106.87(15)
C22 N3 Mo 132.23(13)
N4 N3 Mo 120.78(11)
C24 N4 N3 109.57(15)
C24 N4 B 129.88(16)
N3 N4 B 120.34(15)
C27 N5 N6 106.79(15)
C27 N5 Mo 132.34(13)
N6 N5 Mo 120.75(12)
C29 N6 N5 109.76(16)
C29 N6 B 129.82(17)
N5 N6 B 120.36(15)
C1 N7 C10 120.51(15)
C1 N7 C4 118.57(15)
C10 N7 C4 120.43(15)
N7 C1 Mo 176.57(15)
O1 C2 Mo 178.53(18)
O2 C3 Mo 174.34(18)
C5 C4 C9 121.21(18)
C5 C4 N7 119.12(17)
C9 C4 N7 119.67(17)
C4 C5 C6 119.1(2)
C4 C5 H5 120.4
C6 C5 H5 120.4
C7 C6 C5 120.1(2)
C7 C6 H6 119.9
C5 C6 H6 119.9
C6 C7 C8 120.4(2)
C6 C7 H7 119.8
C8 C7 H7 119.8
C7 C8 C9 120.3(2)
C7 C8 H8 119.9
C9 C8 H8 119.9
C8 C9 C4 118.8(2)
C8 C9 H9 120.6
C4 C9 H9 120.6
C11 C10 C15 119.76(18)
C11 C10 N7 120.72(17)
C15 C10 N7 119.52(17)
C12 C11 C10 119.83(18)
C12 C11 H11 120.1
C10 C11 H11 120.1
C13 C12 C11 120.81(18)
C13 C12 H12 119.6
C11 C12 H12 119.6
C12 C13 C14 119.34(19)
C12 C13 H13 120.3
C14 C13 H13 120.3
C13 C14 C15 120.81(19)
C13 C14 H14 119.6
C15 C14 H14 119.6
C14 C15 C10 119.45(18)
C14 C15 H15 120.3
C10 C15 H15 120.3
C17 C16 H16A 109.5
C17 C16 H16B 109.5
H16A C16 H16B 109.5
C17 C16 H16C 109.5
H16A C16 H16C 109.5
H16B C16 H16C 109.5
N1 C17 C18 109.9(2)
N1 C17 C16 122.5(2)
C18 C17 C16 127.7(2)
C19 C18 C17 106.24(19)
C19 C18 H18 126.9
C17 C18 H18 126.9
N2 C19 C18 107.67(19)
N2 C19 C20 122.4(2)
C18 C19 C20 129.9(2)
C19 C20 H20A 109.5
C19 C20 H20B 109.5
H20A C20 H20B 109.5
C19 C20 H20C 109.5
H20A C20 H20C 109.5
H20B C20 H20C 109.5
C22 C21 H21A 109.5
C22 C21 H21B 109.5
H21A C21 H21B 109.5
C22 C21 H21C 109.5
H21A C21 H21C 109.5
H21B C21 H21C 109.5
N3 C22 C23 109.44(17)
N3 C22 C21 123.02(18)
C23 C22 C21 127.53(18)
C24 C23 C22 106.51(17)
C24 C23 H23 126.7
C22 C23 H23 126.7
N4 C24 C23 107.62(17)
N4 C24 C25 123.44(19)
C23 C24 C25 128.91(19)
C24 C25 H25A 109.5
C24 C25 H25B 109.5
H25A C25 H25B 109.5
C24 C25 H25C 109.5
H25A C25 H25C 109.5
H25B C25 H25C 109.5
C27 C26 H26A 109.5
C27 C26 H26B 109.5
H26A C26 H26B 109.5
C27 C26 H26C 109.5
H26A C26 H26C 109.5
H26B C26 H26C 109.5
N5 C27 C28 109.57(17)
N5 C27 C26 122.86(18)
C28 C27 C26 127.56(19)
C29 C28 C27 106.31(18)
C29 C28 H28 126.8
C27 C28 H28 126.8
N6 C29 C28 107.56(18)
N6 C29 C30 123.36(19)
C28 C29 C30 129.1(2)
C29 C30 H30A 109.5
C29 C30 H30B 109.5
H30A C30 H30B 109.5
C29 C30 H30C 109.5
H30A C30 H30C 109.5
H30B C30 H30C 109.5
N4 B N2 108.61(16)
N4 B N6 109.93(16)
N2 B N6 108.78(16)
N4 B H98 107.3
N2 B H98 109.5
N6 B H98 112.7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Mo C1 1.8267(18)
Mo C2 1.985(2)
Mo C3 1.996(2)
Mo N3 2.2271(15)
Mo N5 2.2282(16)
Mo N1 2.3077(16)
O1 C2 1.146(3)
O2 C3 1.142(3)
N1 C17 1.337(3)
N1 N2 1.373(2)
N2 C19 1.358(3)
N2 B 1.541(3)
N3 C22 1.339(2)
N3 N4 1.378(2)
N4 C24 1.352(2)
N4 B 1.541(3)
N5 C27 1.337(2)
N5 N6 1.377(2)
N6 C29 1.351(3)
N6 B 1.542(3)
N7 C1 1.346(2)
N7 C10 1.429(2)
N7 C4 1.449(2)
C4 C5 1.382(3)
C4 C9 1.388(3)
C5 C6 1.392(3)
C5 H5 0.9300
C6 C7 1.373(4)
C6 H6 0.9300
C7 C8 1.385(4)
C7 H7 0.9300
C8 C9 1.387(3)
C8 H8 0.9300
C9 H9 0.9300
C10 C11 1.392(3)
C10 C15 1.397(3)
C11 C12 1.392(3)
C11 H11 0.9300
C12 C13 1.377(3)
C12 H12 0.9300
C13 C14 1.391(3)
C13 H13 0.9300
C14 C15 1.391(3)
C14 H14 0.9300
C15 H15 0.9300
C16 C17 1.494(3)
C16 H16A 0.9600
C16 H16B 0.9600
C16 H16C 0.9600
C17 C18 1.396(3)
C18 C19 1.367(3)
C18 H18 0.9300
C19 C20 1.504(3)
C20 H20A 0.9600
C20 H20B 0.9600
C20 H20C 0.9600
C21 C22 1.490(3)
C21 H21A 0.9600
C21 H21B 0.9600
C21 H21C 0.9600
C22 C23 1.393(3)
C23 C24 1.376(3)
C23 H23 0.9300
C24 C25 1.493(3)
C25 H25A 0.9600
C25 H25B 0.9600
C25 H25C 0.9600
C26 C27 1.494(3)
C26 H26A 0.9600
C26 H26B 0.9600
C26 H26C 0.9600
C27 C28 1.395(3)
C28 C29 1.378(3)
C28 H28 0.9300
C29 C30 1.495(3)
C30 H30A 0.9600
C30 H30B 0.9600
C30 H30C 0.9600
B H98 1.2577
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
C17 N1 N2 C19 0.6(2)
Mo N1 N2 C19 -176.48(13)
C17 N1 N2 B -177.66(17)
Mo N1 N2 B 5.2(2)
C22 N3 N4 C24 -0.7(2)
Mo N3 N4 C24 175.76(12)
C22 N3 N4 B -175.89(17)
Mo N3 N4 B 0.6(2)
C27 N5 N6 C29 0.8(2)
Mo N5 N6 C29 -175.67(13)
C27 N5 N6 B 178.15(17)
Mo N5 N6 B 1.7(2)
C1 N7 C4 C5 70.0(2)
C10 N7 C4 C5 -102.0(2)
C1 N7 C4 C9 -109.7(2)
C10 N7 C4 C9 78.3(2)
C9 C4 C5 C6 0.5(3)
N7 C4 C5 C6 -179.26(17)
C4 C5 C6 C7 -0.4(3)
C5 C6 C7 C8 -0.6(3)
C6 C7 C8 C9 1.5(3)
C7 C8 C9 C4 -1.3(3)
C5 C4 C9 C8 0.4(3)
N7 C4 C9 C8 -179.89(18)
C1 N7 C10 C11 179.72(17)
C4 N7 C10 C11 -8.4(3)
C1 N7 C10 C15 -0.8(3)
C4 N7 C10 C15 171.05(18)
C15 C10 C11 C12 0.0(3)
N7 C10 C11 C12 179.44(17)
C10 C11 C12 C13 -0.3(3)
C11 C12 C13 C14 0.4(3)
C12 C13 C14 C15 0.0(3)
C13 C14 C15 C10 -0.4(3)
C11 C10 C15 C14 0.4(3)
N7 C10 C15 C14 -179.09(19)
N2 N1 C17 C18 -0.6(2)
Mo N1 C17 C18 175.86(15)
N2 N1 C17 C16 179.0(2)
Mo N1 C17 C16 -4.6(3)
N1 C17 C18 C19 0.3(3)
C16 C17 C18 C19 -179.2(2)
N1 N2 C19 C18 -0.5(2)
B N2 C19 C18 177.6(2)
N1 N2 C19 C20 178.72(19)
B N2 C19 C20 -3.2(3)
C17 C18 C19 N2 0.1(3)
C17 C18 C19 C20 -179.0(2)
N4 N3 C22 C23 0.8(2)
Mo N3 C22 C23 -175.09(13)
N4 N3 C22 C21 -179.78(18)
Mo N3 C22 C21 4.3(3)
N3 C22 C23 C24 -0.6(2)
C21 C22 C23 C24 -180.0(2)
N3 N4 C24 C23 0.3(2)
B N4 C24 C23 174.91(19)
N3 N4 C24 C25 178.44(18)
B N4 C24 C25 -7.0(3)
C22 C23 C24 N4 0.2(2)
C22 C23 C24 C25 -177.8(2)
N6 N5 C27 C28 -0.3(2)
Mo N5 C27 C28 175.58(14)
N6 N5 C27 C26 179.96(18)
Mo N5 C27 C26 -4.2(3)
N5 C27 C28 C29 -0.3(2)
C26 C27 C28 C29 179.5(2)
N5 N6 C29 C28 -1.0(2)
B N6 C29 C28 -178.01(19)
N5 N6 C29 C30 177.90(19)
B N6 C29 C30 0.8(3)
C27 C28 C29 N6 0.8(2)
C27 C28 C29 C30 -178.0(2)
C24 N4 B N2 -113.7(2)
N3 N4 B N2 60.4(2)
C24 N4 B N6 127.4(2)
N3 N4 B N6 -58.5(2)
C19 N2 B N4 118.9(2)
N1 N2 B N4 -63.2(2)
C19 N2 B N6 -121.5(2)
N1 N2 B N6 56.4(2)
C29 N6 B N4 -126.1(2)
N5 N6 B N4 57.1(2)
C29 N6 B N2 115.1(2)
N5 N6 B N2 -61.7(2)
