#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003084.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_2003084
loop_
_publ_author_name
'Krebs, Frederik C.'
'Laursen, Bo W.'
'Johannsen, Ib'
'Faldt, Andr\'e'
'Bechgaard, Klaus'
'Jacobsen, Claus S.'
'Thorup, Niels'
'Boubekeur, Kamal'
_publ_section_title
;
 The geometry and structural properties of the
 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[<i>cd,mn</i>]pyrene system
 in the cationic state. Structures of a planar organic cation with
 various monovalent and divalent anions
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              410
_journal_page_last               423
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C19 H9 O3,Cl7 Mo3'
_chemical_formula_sum            'C19 H9 Cl7 Mo3 O3'
_chemical_formula_weight         821.23
_chemical_name_systematic
;
 Bis(4,8,12-trioxa-4,8,12,12c-tetrahydro-dibenzo[cd,mn]pyrenium)
tetradecachlorohexamolybdate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.205(4)
_cell_length_b                   13.540(3)
_cell_length_c                   18.679(4)
_cell_measurement_temperature    120(2)
_cell_volume                     4560.3(18)
_computing_cell_refinement       'SAINT Siemens'
_computing_data_collection       'SMART Siemens'
_computing_data_reduction        'SAINT Siemens'
_computing_molecular_graphics    'SHELXTL (Sheldrick)'
_computing_publication_material  'XCIF (Sheldrick)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .478
_diffrn_measured_fraction_theta_max .478
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'omega scan, frame data integration'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0297
_diffrn_reflns_av_sigmaI/netI    .0207
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23431
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    2.468
_exptl_absorpt_correction_T_max  .862
_exptl_absorpt_correction_T_min  .776
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          .18
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .10
_refine_diff_density_max         .379
_refine_diff_density_min         -1.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4631
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          .0288
_refine_ls_R_factor_gt           .0221
_refine_ls_shift/su_max          .010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+4.5834P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_ref         .0563
_reflns_number_gt                4029
_reflns_number_total             4631
_reflns_threshold_expression     >2sigma(I)
_[local]_cod_data_source_file    os0007.cif
_[local]_cod_data_source_block   9
_[local]_cod_cif_authors_sg_H-M  'C 2/c'
_cod_original_cell_volume        4560.3(16)
_cod_database_code               2003084
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_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_occupancy
_atom_site_type_symbol
Mo1 .050872(12) .519055(16) .421732(11) .00874(6) Uani d 1 Mo
Mo2 -.088778(12) .522183(16) .441491(11) .00876(6) Uani d 1 Mo
Mo3 -.007917(12) .366634(16) .478971(11) .00892(6) Uani d 1 Mo
Cl1 .11919(4) .54599(5) .32044(3) .01566(14) Uani d 1 Cl
Cl2 -.20765(3) .55673(5) .36800(3) .01437(13) Uani d 1 Cl
Cl3 -.02055(4) .19090(5) .45114(4) .01621(14) Uani d 1 Cl
Cl4 -.02895(3) .66392(5) .38961(3) .01189(13) Uani d 1 Cl
Cl5 -.13876(3) .37565(5) .49929(3) .01174(13) Uani d 1 Cl
Cl6 .12389(3) .36952(4) .46138(3) .01160(13) Uani d 1 Cl
Cl7 -.04240(3) .41385(5) .35073(3) .01179(13) Uani d 1 Cl
O1 -.29081(10) .36002(13) .59683(10) .0146(4) Uani d 1 O
O2 -.37390(11) .66348(14) .69485(10) .0167(4) Uani d 1 O
O3 -.38274(10) .35869(14) .82754(10) .0153(4) Uani d 1 O
C1 -.35013(14) .4602(2) .70579(14) .0129(5) Uani d 1 C
C2 -.33433(14) .5109(2) .64497(14) .0135(5) Uani d 1 C
C3 -.30655(14) .4590(2) .58929(14) .0142(6) Uani d 1 C
C4 -.29515(15) .5081(2) .52694(15) .0172(6) Uani d 1 C
H4 -.2793 .4744 .4885 .021 Uiso calc 1 H
C5 -.30814(15) .6098(2) .52334(15) .0177(6) Uani d 1 C
H5 -.3001 .6430 .4816 .021 Uiso calc 1 H
C6 -.33248(15) .6641(2) .57888(15) .0175(6) Uani d 1 C
H6 -.3386 .7322 .5752 .021 Uiso calc 1 H
C7 -.34714(14) .6135(2) .63956(14) .0145(5) Uani d 1 C
C8 -.37924(15) .5109(2) .76055(14) .0127(5) Uani d 1 C
C9 -.39032(15) .6136(2) .75494(14) .0146(6) Uani d 1 C
C10 -.41693(16) .6648(2) .81001(15) .0191(6) Uani d 1 C
H10 -.4232 .7329 .8078 .023 Uiso calc 1 H
C11 -.43409(16) .6105(2) .86891(15) .0196(6) Uani d 1 C
H11 -.4527 .6445 .9058 .024 Uiso calc 1 H
C12 -.42508(16) .5082(2) .87612(15) .0170(6) Uani d 1 C
H12 -.4382 .4748 .9160 .020 Uiso calc 1 H
C13 -.39594(15) .4586(2) .82168(15) .0140(5) Uani d 1 C
C14 -.33509(14) .3594(2) .71291(14) .0133(5) Uani d 1 C
C15 -.35026(15) .3097(2) .77502(14) .0143(5) Uani d 1 C
C16 -.33338(15) .2107(2) .78344(15) .0169(6) Uani d 1 C
H16 -.3439 .1760 .8237 .020 Uiso calc 1 H
C17 -.30006(15) .1646(2) .72952(15) .0163(6) Uani d 1 C
H17 -.2880 .0980 .7352 .020 Uiso calc 1 H
C18 -.28375(15) .2126(2) .66731(15) .0166(6) Uani d 1 C
H18 -.2607 .1794 .6330 .020 Uiso calc 1 H
C19 -.30282(14) .3101(2) .65858(14) .0142(6) Uani d 1 C
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mo1 .00966(11) .00890(12) .00809(11) .00078(8) .00280(8) .00075(8)
Mo2 .00910(11) .00898(12) .00841(11) .00116(8) .00194(9) .00080(8)
Mo3 .01010(11) .00791(11) .00914(11) .00078(8) .00268(9) .00043(8)
Cl1 .0183(3) .0175(3) .0127(3) -.0004(3) .0076(3) .0012(2)
Cl2 .0125(3) .0172(3) .0131(3) .0030(3) .0005(2) .0001(2)
Cl3 .0196(3) .0102(3) .0195(3) .0002(3) .0049(3) -.0019(3)
Cl4 .0135(3) .0109(3) .0116(3) .0018(2) .0030(2) .0032(2)
Cl5 .0114(3) .0114(3) .0128(3) -.0012(2) .0030(2) .0002(2)
Cl6 .0119(3) .0120(3) .0116(3) .0026(2) .0038(2) .0003(2)
Cl7 .0131(3) .0131(3) .0094(3) .0002(2) .0019(2) -.0014(2)
O1 .0171(10) .0153(10) .0121(9) .0011(8) .0044(8) -.0003(7)
O2 .0227(10) .0142(10) .0141(9) .0060(8) .0059(8) .0022(8)
O3 .0203(10) .0151(10) .0115(9) -.0008(8) .0065(8) .0005(7)
C1 .0081(12) .0176(14) .0123(13) .0001(10) -.0013(10) .0003(10)
C2 .0097(12) .0182(14) .0123(13) .0006(11) .0005(10) .0009(11)
C3 .0117(13) .0164(14) .0138(13) -.0011(11) -.0013(11) .0013(10)
C4 .0138(13) .0252(15) .0129(14) .0037(12) .0031(11) .0008(11)
C5 .0150(13) .0257(15) .0129(13) .0045(12) .0039(11) .0080(12)
C6 .0147(13) .0187(15) .0191(14) .0046(11) .0024(11) .0055(11)
C7 .0112(13) .0184(14) .0138(13) .0024(11) .0018(10) .0007(11)
C8 .0117(13) .0149(14) .0113(13) .0016(10) .0008(10) .0006(10)
C9 .0138(13) .0173(14) .0130(13) .0025(11) .0028(11) .0028(11)
C10 .0211(15) .0167(14) .0196(15) .0067(12) .0035(12) .0005(12)
C11 .0208(15) .0235(16) .0152(14) .0041(12) .0048(12) -.0042(12)
C12 .0167(14) .0214(15) .0139(13) -.0008(12) .0056(11) .0016(11)
C13 .0127(13) .0147(14) .0146(13) -.0009(11) .0014(11) -.0001(10)
C14 .0122(13) .0141(13) .0135(13) -.0017(10) .0013(10) -.0007(10)
C15 .0142(13) .0172(14) .0111(12) -.0024(11) .0006(10) -.0023(11)
C16 .0193(14) .0149(14) .0165(14) -.0039(11) .0021(11) .0010(11)
C17 .0173(14) .0113(13) .0191(14) .0002(11) -.0013(11) -.0024(11)
C18 .0175(14) .0164(14) .0154(13) .0007(11) .0000(11) -.0049(11)
C19 .0127(13) .0184(14) .0110(12) -.0020(11) -.0001(10) -.0004(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 .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
Cl1 Mo1 Cl7 . . 93.24(3)
Cl1 Mo1 Cl4 . . 92.23(3)
Cl7 Mo1 Cl4 . . 89.41(3)
Cl1 Mo1 Cl5 . 5_566 91.11(3)
Cl7 Mo1 Cl5 . 5_566 175.61(2)
Cl4 Mo1 Cl5 . 5_566 89.86(3)
Cl1 Mo1 Cl6 . . 92.53(3)
Cl7 Mo1 Cl6 . . 89.42(3)
Cl4 Mo1 Cl6 . . 175.15(2)
Cl5 Mo1 Cl6 5_566 . 90.95(3)
Cl1 Mo1 Mo2 . 5_566 134.31(2)
Cl7 Mo1 Mo2 . 5_566 118.23(3)
Cl4 Mo1 Mo2 . 5_566 118.37(2)
Cl5 Mo1 Mo2 5_566 5_566 58.54(2)
Cl6 Mo1 Mo2 . 5_566 58.33(2)
Cl1 Mo1 Mo3 . 5_566 134.27(2)
Cl7 Mo1 Mo3 . 5_566 118.24(2)
Cl4 Mo1 Mo3 . 5_566 58.55(2)
Cl5 Mo1 Mo3 5_566 5_566 57.88(2)
Cl6 Mo1 Mo3 . 5_566 118.15(2)
Mo2 Mo1 Mo3 5_566 5_566 59.855(14)
Cl1 Mo1 Mo2 . . 135.90(3)
Cl7 Mo1 Mo2 . . 58.27(2)
Cl4 Mo1 Mo2 . . 58.025(18)
Cl5 Mo1 Mo2 5_566 . 117.85(2)
Cl6 Mo1 Mo2 . . 117.52(2)
Mo2 Mo1 Mo2 5_566 . 89.78(3)
Mo3 Mo1 Mo2 5_566 . 59.98(2)
Cl1 Mo1 Mo3 . . 135.85(2)
Cl7 Mo1 Mo3 . . 58.22(2)
Cl4 Mo1 Mo3 . . 117.76(2)
Cl5 Mo1 Mo3 5_566 . 118.54(2)
Cl6 Mo1 Mo3 . . 57.79(2)
Mo2 Mo1 Mo3 5_566 . 60.022(15)
Mo3 Mo1 Mo3 5_566 . 89.87(2)
Mo2 Mo1 Mo3 . . 59.742(14)
Cl2 Mo2 Cl4 . . 92.01(2)
Cl2 Mo2 Cl7 . . 95.05(3)
Cl4 Mo2 Cl7 . . 88.92(3)
Cl2 Mo2 Cl6 . 5_566 90.01(3)
Cl4 Mo2 Cl6 . 5_566 89.98(3)
Cl7 Mo2 Cl6 . 5_566 174.86(2)
Cl2 Mo2 Cl5 . . 92.74(2)
Cl4 Mo2 Cl5 . . 175.23(2)
Cl7 Mo2 Cl5 . . 90.25(3)
Cl6 Mo2 Cl5 5_566 . 90.43(3)
Cl2 Mo2 Mo3 . . 136.77(2)
Cl4 Mo2 Mo3 . . 118.00(2)
Cl7 Mo2 Mo3 . . 58.17(2)
Cl6 Mo2 Mo3 5_566 . 118.23(2)
Cl5 Mo2 Mo3 . . 57.79(2)
Cl2 Mo2 Mo1 . 5_566 133.18(3)
Cl4 Mo2 Mo1 . 5_566 118.58(2)
Cl7 Mo2 Mo1 . 5_566 118.28(2)
Cl6 Mo2 Mo1 5_566 5_566 58.122(19)
Cl5 Mo2 Mo1 . 5_566 57.919(19)
Mo3 Mo2 Mo1 . 5_566 60.140(16)
Cl2 Mo2 Mo3 . 5_566 133.09(2)
Cl4 Mo2 Mo3 . 5_566 58.490(19)
Cl7 Mo2 Mo3 . 5_566 117.59(2)
Cl6 Mo2 Mo3 5_566 5_566 57.76(2)
Cl5 Mo2 Mo3 . 5_566 118.00(2)
Mo3 Mo2 Mo3 . 5_566 90.09(2)
Mo1 Mo2 Mo3 5_566 5_566 60.11(2)
Cl2 Mo2 Mo1 . . 136.54(2)
Cl4 Mo2 Mo1 . . 57.867(19)
Cl7 Mo2 Mo1 . . 57.64(2)
Cl6 Mo2 Mo1 5_566 . 117.71(3)
Cl5 Mo2 Mo1 . . 117.91(2)
Mo3 Mo2 Mo1 . . 60.140(12)
Mo1 Mo2 Mo1 5_566 . 90.22(3)
Mo3 Mo2 Mo1 5_566 . 59.962(16)
Cl3 Mo3 Cl5 . . 90.94(2)
Cl3 Mo3 Cl6 . . 92.97(2)
Cl5 Mo3 Cl6 . . 176.07(2)
Cl3 Mo3 Cl7 . . 92.40(2)
Cl5 Mo3 Cl7 . . 90.84(4)
Cl6 Mo3 Cl7 . . 89.34(3)
Cl3 Mo3 Cl4 . 5_566 93.02(2)
Cl5 Mo3 Cl4 . 5_566 89.50(4)
Cl6 Mo3 Cl4 . 5_566 89.95(4)
Cl7 Mo3 Cl4 . 5_566 174.56(2)
Cl3 Mo3 Mo2 . . 134.18(2)
Cl5 Mo3 Mo2 . . 58.682(18)
Cl6 Mo3 Mo2 . . 118.335(19)
Cl7 Mo3 Mo2 . . 58.23(2)
Cl4 Mo3 Mo2 5_566 . 117.66(2)
Cl3 Mo3 Mo1 . 5_566 134.37(2)
Cl5 Mo3 Mo1 . 5_566 58.14(2)
Cl6 Mo3 Mo1 . 5_566 118.45(3)
Cl7 Mo3 Mo1 . 5_566 118.20(2)
Cl4 Mo3 Mo1 5_566 5_566 57.687(19)
Mo2 Mo3 Mo1 . 5_566 60.003(16)
Cl3 Mo3 Mo2 . 5_566 135.90(2)
Cl5 Mo3 Mo2 . 5_566 118.19(2)
Cl6 Mo3 Mo2 . 5_566 58.41(2)
Cl7 Mo3 Mo2 . 5_566 117.50(3)
Cl4 Mo3 Mo2 5_566 5_566 57.79(2)
Mo2 Mo3 Mo2 . 5_566 89.91(2)
Mo1 Mo3 Mo2 5_566 5_566 60.054(16)
Cl3 Mo3 Mo1 . . 135.49(2)
Cl5 Mo3 Mo1 . . 118.78(2)
Cl6 Mo3 Mo1 . . 58.230(19)
Cl7 Mo3 Mo1 . . 57.65(2)
Cl4 Mo3 Mo1 5_566 . 117.63(2)
Mo2 Mo3 Mo1 . . 60.118(16)
Mo1 Mo3 Mo1 5_566 . 90.13(2)
Mo2 Mo3 Mo1 5_566 . 59.865(14)
Mo1 Cl4 Mo2 . . 64.11(2)
Mo1 Cl4 Mo3 . 5_566 63.77(2)
Mo2 Cl4 Mo3 . 5_566 63.72(2)
Mo3 Cl5 Mo1 . 5_566 63.98(2)
Mo3 Cl5 Mo2 . . 63.53(2)
Mo1 Cl5 Mo2 5_566 . 63.54(2)
Mo3 Cl6 Mo1 . . 63.979(19)
Mo3 Cl6 Mo2 . 5_566 63.83(3)
Mo1 Cl6 Mo2 . 5_566 63.55(2)
Mo1 Cl7 Mo3 . . 64.13(2)
Mo1 Cl7 Mo2 . . 64.09(2)
Mo3 Cl7 Mo2 . . 63.60(2)
C3 O1 C19 . . 120.6(2)
C9 O2 C7 . . 120.5(2)
C15 O3 C13 . . 120.2(2)
C2 C1 C8 . . 119.8(2)
C2 C1 C14 . . 120.1(2)
C8 C1 C14 . . 120.1(2)
C1 C2 C3 . . 119.6(2)
C1 C2 C7 . . 119.6(2)
C3 C2 C7 . . 120.8(2)
O1 C3 C4 . . 120.1(2)
O1 C3 C2 . . 120.2(2)
C4 C3 C2 . . 119.7(3)
C3 C4 C5 . . 118.1(3)
C6 C5 C4 . . 123.6(3)
C7 C6 C5 . . 117.8(3)
C6 C7 O2 . . 120.0(2)
C6 C7 C2 . . 119.9(3)
O2 C7 C2 . . 120.1(2)
C1 C8 C9 . . 119.8(2)
C1 C8 C13 . . 119.4(2)
C9 C8 C13 . . 120.8(2)
C10 C9 O2 . . 119.9(2)
C10 C9 C8 . . 120.1(3)
O2 C9 C8 . . 120.0(2)
C9 C10 C11 . . 117.6(3)
C10 C11 C12 . . 124.2(3)
C13 C12 C11 . . 117.5(3)
O3 C13 C12 . . 119.9(2)
O3 C13 C8 . . 120.2(2)
C12 C13 C8 . . 119.9(2)
C15 C14 C1 . . 119.4(2)
C15 C14 C19 . . 121.2(2)
C1 C14 C19 . . 119.4(2)
O3 C15 C16 . . 119.7(2)
O3 C15 C14 . . 120.6(2)
C16 C15 C14 . . 119.7(2)
C15 C16 C17 . . 117.8(3)
C16 C17 C18 . . 123.7(3)
C19 C18 C17 . . 117.9(3)
C18 C19 O1 . . 120.3(2)
C18 C19 C14 . . 119.7(3)
O1 C19 C14 . . 120.0(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mo1 Cl1 . 2.4309(9)
Mo1 Cl7 . 2.4596(8)
Mo1 Cl4 . 2.4655(7)
Mo1 Cl5 5_566 2.4735(8)
Mo1 Cl6 . 2.4785(7)
Mo1 Mo2 5_566 2.6133(7)
Mo1 Mo3 5_566 2.6168(5)
Mo1 Mo2 . 2.6192(6)
Mo1 Mo3 . 2.6198(5)
Mo2 Cl2 . 2.4427(10)
Mo2 Cl4 . 2.4698(8)
Mo2 Cl7 . 2.4765(8)
Mo2 Cl6 5_566 2.4841(8)
Mo2 Cl5 . 2.4902(8)
Mo2 Mo3 . 2.6093(5)
Mo2 Mo1 5_566 2.6132(7)
Mo2 Mo3 5_566 2.6174(7)
Mo3 Cl3 . 2.4397(8)
Mo3 Cl5 . 2.4662(8)
Mo3 Cl6 . 2.4667(8)
Mo3 Cl7 . 2.4750(8)
Mo3 Cl4 5_566 2.4886(8)
Mo3 Mo1 5_566 2.6168(5)
Mo3 Mo2 5_566 2.6174(7)
Cl4 Mo3 5_566 2.4886(8)
Cl5 Mo1 5_566 2.4733(9)
Cl6 Mo2 5_566 2.4841(7)
O1 C3 . 1.374(3)
O1 C19 . 1.380(3)
O2 C9 . 1.378(3)
O2 C7 . 1.379(3)
O3 C15 . 1.383(3)
O3 C13 . 1.376(3)
C1 C2 . 1.391(4)
C1 C8 . 1.396(4)
C1 C14 . 1.394(4)
C2 C3 . 1.406(4)
C2 C7 . 1.410(4)
C3 C4 . 1.381(4)
C4 C5 . 1.398(4)
C5 C6 . 1.393(4)
C6 C7 . 1.382(4)
C8 C9 . 1.406(4)
C8 C13 . 1.412(4)
C9 C10 . 1.382(4)
C10 C11 . 1.394(4)
C11 C12 . 1.400(4)
C12 C13 . 1.384(4)
C14 C15 . 1.401(4)
C14 C19 . 1.409(4)
C15 C16 . 1.379(4)
C16 C17 . 1.393(4)
C17 C18 . 1.399(4)
C18 C19 . 1.369(4)