#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/36/2233642.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2233642
loop_
_publ_author_name
'Minyaev, Mikhail E.'
'Ellis, John E.'
'Wolf, William J.'
_publ_section_title
;
 Bis(η⁶-naphthalene)molybdenum(0)
;
_journal_coeditor_code           TK5041
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m220
_journal_paper_doi               10.1107/S1600536812002504
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Mo (C10 H8)2]'
_chemical_formula_moiety         'C20 H16 Mo'
_chemical_formula_sum            'C20 H16 Mo'
_chemical_formula_weight         352.27
_chemical_name_common            bis(naphthalene)molybdenum
_chemical_name_systematic
;
Bis(η⁶-naphthalene)molybdenum(0)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.186(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.4452(10)
_cell_length_b                   8.0716(10)
_cell_length_c                   10.9890(13)
_cell_measurement_reflns_used    2191
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.66
_cell_volume                     707.47(15)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART Platform CCD'
_diffrn_measurement_method       'area detector, ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0246
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8208
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    0.916
_exptl_absorpt_correction_T_max  0.7707
_exptl_absorpt_correction_T_min  0.6095
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            dark-red
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             356
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         1674
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+0.2510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                1420
_reflns_number_total             1674
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            tk5041.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2233642
_cod_database_fobs_code          2233642
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Mo Mo1 0.63424(3) 0.01329(3) 0.97463(3) 0.02253(11) Uani d P 0.50 1
C C1 0.4807(3) 0.0582(3) 0.76370(18) 0.0382(4) Uani d . 1 1
C C2 0.6382(3) 0.1252(3) 0.7895(2) 0.0481(6) Uani d . 1 1
C C3 0.7005(3) 0.2429(3) 0.8901(2) 0.0452(5) Uani d . 1 1
C C4 0.6048(2) 0.2901(2) 0.96470(19) 0.0358(4) Uani d . 1 1
C C9 0.4393(2) 0.22530(19) 0.93978(16) 0.0261(4) Uani d . 1 1
C C5 0.3393(2) 0.2642(2) 1.01832(17) 0.0318(4) Uani d . 1 1
C C6 0.1831(3) 0.1938(2) 0.99537(19) 0.0358(4) Uani d . 1 1
C C7 0.1202(2) 0.0780(3) 0.89365(19) 0.0372(4) Uani d . 1 1
C C8 0.2145(2) 0.0343(2) 0.81728(17) 0.0330(4) Uani d . 1 1
C C10 0.3753(2) 0.1064(2) 0.83615(15) 0.0277(4) Uani d . 1 1
H H1 0.442(3) -0.021(2) 0.702(2) 0.040(6) Uiso d . 1 1
H H2 0.707(3) 0.091(3) 0.744(2) 0.058(7) Uiso d . 1 1
H H3 0.806(3) 0.289(3) 0.910(2) 0.058(7) Uiso d . 1 1
H H4 0.641(3) 0.363(3) 1.032(2) 0.037(6) Uiso d . 1 1
H H5 0.380(2) 0.337(2) 1.086(2) 0.034(5) Uiso d . 1 1
H H6 0.118(3) 0.218(3) 1.048(2) 0.047(6) Uiso d . 1 1
H H7 0.021(3) 0.024(3) 0.881(2) 0.049(7) Uiso d . 1 1
H H8 0.179(3) -0.044(3) 0.758(2) 0.034(5) Uiso d . 1 1
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'
Mo Mo -1.6832 0.6857 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C6 Mo1 C3 3_657 . 115.50(8)
C6 Mo1 C7 3_657 3_657 37.18(7)
C3 Mo1 C7 . 3_657 103.80(8)
C6 Mo1 C2 3_657 . 102.80(8)
C3 Mo1 C2 . . 37.15(9)
C7 Mo1 C2 3_657 . 115.83(8)
C6 Mo1 C4 3_657 . 144.57(7)
C3 Mo1 C4 . . 35.95(8)
C7 Mo1 C4 3_657 . 115.15(7)
C2 Mo1 C4 . . 65.70(8)
C6 Mo1 C5 3_657 3_657 35.95(7)
C3 Mo1 C5 . 3_657 143.88(8)
C7 Mo1 C5 3_657 3_657 65.64(7)
C2 Mo1 C5 . 3_657 113.74(8)
C4 Mo1 C5 . 3_657 179.14(7)
C6 Mo1 C8 3_657 3_657 65.65(7)
C3 Mo1 C8 . 3_657 115.38(8)
C7 Mo1 C8 3_657 3_657 35.82(7)
C2 Mo1 C8 . 3_657 144.91(9)
C4 Mo1 C8 . 3_657 103.61(7)
C5 Mo1 C8 3_657 3_657 77.22(7)
C6 Mo1 C1 3_657 . 113.87(7)
C3 Mo1 C1 . . 65.22(9)
C7 Mo1 C1 3_657 . 144.00(8)
C2 Mo1 C1 . . 35.45(8)
C4 Mo1 C1 . . 77.05(7)
C5 Mo1 C1 3_657 . 102.12(7)
C8 Mo1 C1 3_657 . 179.33(7)
C6 Mo1 C9 3_657 3_657 65.18(7)
C3 Mo1 C9 . 3_657 179.04(7)
C7 Mo1 C9 3_657 3_657 77.15(7)
C2 Mo1 C9 . 3_657 142.34(8)
C4 Mo1 C9 . 3_657 143.76(7)
C5 Mo1 C9 3_657 3_657 36.39(6)
C8 Mo1 C9 3_657 3_657 65.46(6)
C1 Mo1 C9 . 3_657 113.94(7)
C6 Mo1 C9 3_657 . 178.65(7)
C3 Mo1 C9 . . 65.07(7)
C7 Mo1 C9 3_657 . 144.14(7)
C2 Mo1 C9 . . 76.91(7)
C4 Mo1 C9 . . 36.52(6)
C5 Mo1 C9 3_657 . 142.94(7)
C8 Mo1 C9 3_657 . 115.35(7)
C1 Mo1 C9 . . 65.12(7)
C9 Mo1 C9 3_657 . 114.23(4)
C6 Mo1 C10 3_657 3_657 77.33(7)
C3 Mo1 C10 . 3_657 144.01(8)
C7 Mo1 C10 3_657 3_657 65.09(7)
C2 Mo1 C10 . 3_657 178.65(8)
C4 Mo1 C10 . 3_657 114.97(7)
C5 Mo1 C10 3_657 3_657 65.57(6)
C8 Mo1 C10 3_657 3_657 36.37(7)
C1 Mo1 C10 . 3_657 143.26(7)
C9 Mo1 C10 3_657 3_657 36.49(6)
C9 Mo1 C10 . 3_657 102.93(6)
C6 Mo1 C10 3_657 . 142.39(7)
C3 Mo1 C10 . . 76.73(7)
C7 Mo1 C10 3_657 . 179.42(7)
C2 Mo1 C10 . . 64.45(7)
C4 Mo1 C10 . . 65.41(6)
C5 Mo1 C10 3_657 . 113.79(6)
C8 Mo1 C10 3_657 . 144.17(7)
C1 Mo1 C10 . . 35.99(6)
C9 Mo1 C10 3_657 . 102.32(6)
C9 Mo1 C10 . . 36.29(6)
C10 Mo1 C10 3_657 . 114.63(4)
C2 C1 C10 . . 121.0(2)
C2 C1 Mo1 . . 70.43(12)
C10 C1 Mo1 . . 74.19(10)
C1 C2 C3 . . 120.6(2)
C1 C2 Mo1 . . 74.12(12)
C3 C2 Mo1 . . 71.01(12)
C4 C3 C2 . . 120.5(2)
C4 C3 Mo1 . . 72.87(11)
C2 C3 Mo1 . . 71.84(12)
C3 C4 C9 . . 120.73(19)
C3 C4 Mo1 . . 71.18(12)
C9 C4 Mo1 . . 74.44(10)
C5 C9 C4 . . 122.59(17)
C5 C9 C10 . . 118.58(16)
C4 C9 C10 . . 118.68(17)
C5 C9 Mo1 . 3_657 69.28(9)
C4 C9 Mo1 . 3_657 126.95(11)
C10 C9 Mo1 . 3_657 71.85(9)
C5 C9 Mo1 . . 126.30(11)
C4 C9 Mo1 . . 69.04(10)
C10 C9 Mo1 . . 72.69(9)
Mo1 C9 Mo1 3_657 . 65.77(4)
C6 C5 C9 . . 121.25(17)
C6 C5 Mo1 . 3_657 71.04(11)
C9 C5 Mo1 . 3_657 74.33(9)
C5 C6 C7 . . 120.16(19)
C5 C6 Mo1 . 3_657 73.01(11)
C7 C6 Mo1 . 3_657 71.56(11)
C8 C7 C6 . . 120.40(19)
C8 C7 Mo1 . 3_657 73.17(11)
C6 C7 Mo1 . 3_657 71.26(11)
C7 C8 C10 . . 121.25(17)
C7 C8 Mo1 . 3_657 71.01(11)
C10 C8 Mo1 . 3_657 74.20(10)
C8 C10 C1 . . 122.96(17)
C8 C10 C9 . . 118.33(16)
C1 C10 C9 . . 118.56(17)
C8 C10 Mo1 . 3_657 69.43(10)
C1 C10 Mo1 . 3_657 126.69(12)
C9 C10 Mo1 . 3_657 71.66(9)
C8 C10 Mo1 . . 127.15(11)
C1 C10 Mo1 . . 69.81(10)
C9 C10 Mo1 . . 71.02(9)
Mo1 C10 Mo1 3_657 . 65.37(4)
C2 C1 H1 . . 120.8(14)
C10 C1 H1 . . 118.2(14)
Mo1 C1 H1 . . 126.2(13)
C1 C2 H2 . . 120.5(16)
C3 C2 H2 . . 118.9(16)
Mo1 C2 H2 . . 125.0(15)
C4 C3 H3 . . 117.5(15)
C2 C3 H3 . . 122.1(15)
Mo1 C3 H3 . . 126.5(15)
C3 C4 H4 . . 123.6(13)
C9 C4 H4 . . 115.7(13)
Mo1 C4 H4 . . 126.8(13)
C6 C5 H5 . . 119.4(12)
C9 C5 H5 . . 119.4(12)
Mo1 C5 H5 3_657 . 127.2(12)
C5 C6 H6 . . 121.2(14)
C7 C6 H6 . . 118.6(14)
Mo1 C6 H6 3_657 . 125.7(14)
C8 C7 H7 . . 118.3(15)
C6 C7 H7 . . 121.1(15)
Mo1 C7 H7 3_657 . 123.6(14)
C7 C8 H8 . . 120.6(13)
C10 C8 H8 . . 118.1(13)
Mo1 C8 H8 3_657 . 124.5(13)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mo1 C1 . 2.2826(19)
Mo1 C2 . 2.236(2)
Mo1 C3 . 2.225(2)
Mo1 C4 . 2.2466(19)
Mo1 C9 . 2.3176(16)
Mo1 C10 . 2.3400(17)
Mo1 C5 3_657 2.2495(18)
Mo1 C6 3_657 2.2244(19)
Mo1 C7 3_657 2.2284(19)
Mo1 C8 3_657 2.2557(18)
Mo1 C9 3_657 2.3158(16)
Mo1 C10 3_657 2.3182(16)
C1 C10 . 1.429(3)
C1 C2 . 1.377(3)
C2 C3 . 1.421(3)
C3 C4 . 1.380(3)
C4 C9 . 1.432(3)
C9 C5 . 1.427(3)
C5 C6 . 1.381(3)
C6 C7 . 1.419(3)
C7 C8 . 1.379(3)
C8 C10 . 1.429(3)
C9 C10 . 1.451(2)
C1 H1 . 0.91(2)
C2 H2 . 0.93(2)
C3 H3 . 0.92(3)
C4 H4 . 0.91(2)
C5 H5 . 0.92(2)
C6 H6 . 0.94(2)
C7 H7 . 0.91(3)
C8 H8 . 0.89(2)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C6 Mo1 C1 C2 3_657 . -78.24(15)
C3 Mo1 C1 C2 . . 30.08(13)
C7 Mo1 C1 C2 3_657 . -49.1(2)
C4 Mo1 C1 C2 . . 66.11(14)
C5 Mo1 C1 C2 3_657 . -114.10(14)
C9 Mo1 C1 C2 3_657 . -150.44(13)
C9 Mo1 C1 C2 . . 102.75(15)
C10 Mo1 C1 C2 3_657 . -179.30(12)
C10 Mo1 C1 C2 . . 131.9(2)
C6 Mo1 C1 C10 3_657 . 149.85(11)
C3 Mo1 C1 C10 . . -101.83(13)
C7 Mo1 C1 C10 3_657 . 179.02(11)
C2 Mo1 C1 C10 . . -131.9(2)
C4 Mo1 C1 C10 . . -65.80(12)
C5 Mo1 C1 C10 3_657 . 113.99(12)
C9 Mo1 C1 C10 3_657 . 77.65(12)
C9 Mo1 C1 C10 . . -29.17(10)
C10 Mo1 C1 C10 3_657 . 48.78(19)
C10 C1 C2 C3 . . 0.7(3)
Mo1 C1 C2 C3 . . -55.86(17)
C10 C1 C2 Mo1 . . 56.59(17)
C6 Mo1 C2 C1 3_657 . 113.35(13)
C3 Mo1 C2 C1 . . -131.1(2)
C7 Mo1 C2 C1 3_657 . 150.43(12)
C4 Mo1 C2 C1 . . -102.13(14)
C5 Mo1 C2 C1 3_657 . 77.16(14)
C8 Mo1 C2 C1 3_657 . 179.02(12)
C9 Mo1 C2 C1 3_657 . 47.56(19)
C9 Mo1 C2 C1 . . -65.29(13)
C10 Mo1 C2 C1 . . -29.00(12)
C6 Mo1 C2 C3 3_657 . -115.54(13)
C7 Mo1 C2 C3 3_657 . -78.46(14)
C4 Mo1 C2 C3 . . 28.97(12)
C5 Mo1 C2 C3 3_657 . -151.74(12)
C8 Mo1 C2 C3 3_657 . -49.88(19)
C1 Mo1 C2 C3 . . 131.10(19)
C9 Mo1 C2 C3 3_657 . 178.66(11)
C9 Mo1 C2 C3 . . 65.81(13)
C10 Mo1 C2 C3 . . 102.10(13)
C1 C2 C3 C4 . . 0.9(3)
Mo1 C2 C3 C4 . . -56.46(16)
C1 C2 C3 Mo1 . . 57.35(17)
C6 Mo1 C3 C4 3_657 . -151.64(12)
C7 Mo1 C3 C4 3_657 . -114.00(13)
C2 Mo1 C3 C4 . . 131.25(19)
C5 Mo1 C3 C4 3_657 . 178.57(12)
C8 Mo1 C3 C4 3_657 . -77.86(14)
C1 Mo1 C3 C4 . . 102.48(14)
C9 Mo1 C3 C4 . . 29.72(11)
C10 Mo1 C3 C4 3_657 . -47.57(18)
C10 Mo1 C3 C4 . . 66.25(12)
C6 Mo1 C3 C2 3_657 . 77.11(14)
C7 Mo1 C3 C2 3_657 . 114.75(13)
C4 Mo1 C3 C2 . . -131.25(19)
C5 Mo1 C3 C2 3_657 . 47.32(19)
C8 Mo1 C3 C2 3_657 . 150.89(12)
C1 Mo1 C3 C2 . . -28.78(12)
C9 Mo1 C3 C2 . . -101.53(14)
C10 Mo1 C3 C2 3_657 . -178.82(12)
C10 Mo1 C3 C2 . . -65.01(13)
C2 C3 C4 C9 . . -1.9(3)
Mo1 C3 C4 C9 . . -57.84(15)
C2 C3 C4 Mo1 . . 55.97(17)
C6 Mo1 C4 C3 3_657 . 47.69(19)
C7 Mo1 C4 C3 3_657 . 78.55(14)
C2 Mo1 C4 C3 . . -29.87(13)
C8 Mo1 C4 C3 3_657 . 114.66(13)
C1 Mo1 C4 C3 . . -65.46(13)
C9 Mo1 C4 C3 3_657 . -178.45(12)
C9 Mo1 C4 C3 . . -130.94(18)
C10 Mo1 C4 C3 3_657 . 151.41(12)
C10 Mo1 C4 C3 . . -101.58(14)
C6 Mo1 C4 C9 3_657 . 178.64(11)
C3 Mo1 C4 C9 . . 130.94(18)
C7 Mo1 C4 C9 3_657 . -150.51(11)
C2 Mo1 C4 C9 . . 101.07(12)
C8 Mo1 C4 C9 3_657 . -114.40(11)
C1 Mo1 C4 C9 . . 65.49(11)
C9 Mo1 C4 C9 3_657 . -47.50(18)
C10 Mo1 C4 C9 3_657 . -77.64(12)
C10 Mo1 C4 C9 . . 29.36(10)
C3 C4 C9 C5 . . 176.78(16)
Mo1 C4 C9 C5 . . 120.50(15)
C3 C4 C9 C10 . . 1.2(2)
Mo1 C4 C9 C10 . . -55.06(13)
C3 C4 C9 Mo1 . 3_657 89.3(2)
Mo1 C4 C9 Mo1 . 3_657 33.05(13)
C3 C4 C9 Mo1 . . 56.28(16)
C3 Mo1 C9 C5 . . -145.02(17)
C7 Mo1 C9 C5 3_657 . -66.2(2)
C2 Mo1 C9 C5 . . 177.57(17)
C4 Mo1 C9 C5 . . -115.7(2)
C5 Mo1 C9 C5 3_657 . 65.4(2)
C8 Mo1 C9 C5 3_657 . -37.40(17)
C1 Mo1 C9 C5 . . 142.06(17)
C9 Mo1 C9 C5 3_657 . 35.70(13)
C10 Mo1 C9 C5 3_657 . -1.05(16)
C10 Mo1 C9 C5 . . 113.13(19)
C3 Mo1 C9 C4 . . -29.28(12)
C7 Mo1 C9 C4 3_657 . 49.53(16)
C2 Mo1 C9 C4 . . -66.68(12)
C5 Mo1 C9 C4 3_657 . -178.88(12)
C8 Mo1 C9 C4 3_657 . 78.35(12)
C1 Mo1 C9 C4 . . -102.19(13)
C9 Mo1 C9 C4 3_657 . 151.44(12)
C10 Mo1 C9 C4 3_657 . 114.69(11)
C10 Mo1 C9 C4 . . -131.12(15)
C3 Mo1 C9 C10 . . 101.84(12)
C7 Mo1 C9 C10 3_657 . -179.35(11)
C2 Mo1 C9 C10 . . 64.44(11)
C4 Mo1 C9 C10 . . 131.12(15)
C5 Mo1 C9 C10 3_657 . -47.76(15)
C8 Mo1 C9 C10 3_657 . -150.53(10)
C1 Mo1 C9 C10 . . 28.93(10)
C9 Mo1 C9 C10 3_657 . -77.43(9)
C10 Mo1 C9 C10 3_657 . -114.18(8)
C3 Mo1 C9 Mo1 . 3_657 179.28(8)
C7 Mo1 C9 Mo1 3_657 3_657 -101.91(11)
C2 Mo1 C9 Mo1 . 3_657 141.87(8)
C4 Mo1 C9 Mo1 . 3_657 -151.44(12)
C5 Mo1 C9 Mo1 3_657 3_657 29.67(11)
C8 Mo1 C9 Mo1 3_657 3_657 -73.10(7)
C1 Mo1 C9 Mo1 . 3_657 106.36(7)
C9 Mo1 C9 Mo1 3_657 3_657 0.0
C10 Mo1 C9 Mo1 3_657 3_657 -36.75(6)
C10 Mo1 C9 Mo1 . 3_657 77.43(9)
C4 C9 C5 C6 . . -177.00(16)
C10 C9 C5 C6 . . -1.4(2)
Mo1 C9 C5 C6 3_657 . -55.60(15)
Mo1 C9 C5 C6 . . -90.3(2)
C4 C9 C5 Mo1 . 3_657 -121.39(15)
C10 C9 C5 Mo1 . 3_657 54.17(13)
Mo1 C9 C5 Mo1 . 3_657 -34.68(12)
C9 C5 C6 C7 . . 1.2(3)
Mo1 C5 C6 C7 3_657 . -55.95(16)
C9 C5 C6 Mo1 . 3_657 57.15(15)
C5 C6 C7 C8 . . 0.3(3)
Mo1 C6 C7 C8 3_657 . -56.39(16)
C5 C6 C7 Mo1 . 3_657 56.64(16)
C6 C7 C8 C10 . . -1.4(3)
Mo1 C7 C8 C10 3_657 . -56.93(15)
C6 C7 C8 Mo1 . 3_657 55.48(16)
C7 C8 C10 C1 . . 176.59(16)
Mo1 C8 C10 C1 3_657 . 121.15(16)
C7 C8 C10 C9 . . 1.2(2)
Mo1 C8 C10 C9 3_657 . -54.27(13)
C7 C8 C10 Mo1 . 3_657 55.44(16)
C7 C8 C10 Mo1 . . 88.0(2)
Mo1 C8 C10 Mo1 3_657 . 32.57(12)
C2 C1 C10 C8 . . -176.75(16)
Mo1 C1 C10 C8 . . -121.91(16)
C2 C1 C10 C9 . . -1.3(3)
Mo1 C1 C10 C9 . . 53.51(13)
C2 C1 C10 Mo1 . 3_657 -89.0(2)
Mo1 C1 C10 Mo1 . 3_657 -34.14(14)
C2 C1 C10 Mo1 . . -54.85(17)
C5 C9 C10 C8 . . 0.3(2)
C4 C9 C10 C8 . . 176.00(15)
Mo1 C9 C10 C8 3_657 . 53.20(13)
Mo1 C9 C10 C8 . . 122.69(14)
C5 C9 C10 C1 . . -175.37(15)
C4 C9 C10 C1 . . 0.4(2)
Mo1 C9 C10 C1 3_657 . -122.43(15)
Mo1 C9 C10 C1 . . -52.93(14)
C5 C9 C10 Mo1 . 3_657 -52.94(13)
C4 C9 C10 Mo1 . 3_657 122.80(14)
Mo1 C9 C10 Mo1 . 3_657 69.50(4)
C5 C9 C10 Mo1 . . -122.43(14)
C4 C9 C10 Mo1 . . 53.30(13)
Mo1 C9 C10 Mo1 3_657 . -69.50(4)
C6 Mo1 C10 C8 3_657 . 67.8(2)
C3 Mo1 C10 C8 . . -177.41(17)
C2 Mo1 C10 C8 . . 145.24(18)
C4 Mo1 C10 C8 . . -141.19(18)
C5 Mo1 C10 C8 3_657 . 39.17(17)
C8 Mo1 C10 C8 3_657 . -62.2(2)
C1 Mo1 C10 C8 . . 116.7(2)
C9 Mo1 C10 C8 3_657 . 2.70(17)
C9 Mo1 C10 C8 . . -111.65(19)
C10 Mo1 C10 C8 3_657 . -33.67(14)
C6 Mo1 C10 C1 3_657 . -48.81(17)
C3 Mo1 C10 C1 . . 65.93(13)
C2 Mo1 C10 C1 . . 28.59(13)
C4 Mo1 C10 C1 . . 102.16(13)
C5 Mo1 C10 C1 3_657 . -77.49(13)
C8 Mo1 C10 C1 3_657 . -178.89(12)
C9 Mo1 C10 C1 3_657 . -113.95(12)
C9 Mo1 C10 C1 . . 131.69(16)
C10 Mo1 C10 C1 3_657 . -150.33(13)
C6 Mo1 C10 C9 3_657 . 179.49(11)
C3 Mo1 C10 C9 . . -65.76(11)
C2 Mo1 C10 C9 . . -103.11(12)
C4 Mo1 C10 C9 . . -29.54(10)
C5 Mo1 C10 C9 3_657 . 150.82(10)
C8 Mo1 C10 C9 3_657 . 49.42(15)
C1 Mo1 C10 C9 . . -131.69(16)
C9 Mo1 C10 C9 3_657 . 114.35(8)
C10 Mo1 C10 C9 3_657 . 77.98(9)
C6 Mo1 C10 Mo1 3_657 3_657 101.52(11)
C3 Mo1 C10 Mo1 . 3_657 -143.74(8)
C2 Mo1 C10 Mo1 . 3_657 178.91(8)
C4 Mo1 C10 Mo1 . 3_657 -107.52(7)
C5 Mo1 C10 Mo1 3_657 3_657 72.84(7)
C8 Mo1 C10 Mo1 3_657 3_657 -28.56(11)
C1 Mo1 C10 Mo1 . 3_657 150.33(13)
C9 Mo1 C10 Mo1 3_657 3_657 36.37(6)
C9 Mo1 C10 Mo1 . 3_657 -77.98(9)
C10 Mo1 C10 Mo1 3_657 3_657 0.0
