#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/08/2200843.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_2200843
loop_
_publ_author_name
'Okabe, Nobuo'
'Noriko Isomoto'
'Mamiko Odoko'
_publ_section_title
;
 A dinuclear oxomolybdenum(V) compound with picolinate ligands
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1
_journal_page_last               m3
_journal_paper_doi               10.1107/S160053680102058X
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Mo2 O2 (C6 H4 N O2)2 (H2 O)2], H2 O'
_chemical_formula_moiety         'C12 H12 Mo2 N2 O10, H2 O'
_chemical_formula_sum            'C12 H14 Mo2 N2 O11'
_chemical_formula_weight         554.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.020(10)
_cell_angle_beta                 101.890(10)
_cell_angle_gamma                103.680(10)
_cell_formula_units_Z            2
_cell_length_a                   9.260(2)
_cell_length_b                   12.145(2)
_cell_length_c                   8.2610(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     865.8(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation and
Rigaku Corporation, 1999)
;
_computing_data_reduction
;
TEXSAN (Molecular Structure Corporation and Rigaku Corporation, 1999)
;
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution
' SIR97 (Altomare et al., 1999) and DIRDIF94 (Beurskens et al., 1994)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .011
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4227
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        .47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.512
_exptl_absorpt_correction_T_max  .739
_exptl_absorpt_correction_T_min  .627
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.126
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             544.0
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .2
_refine_diff_density_max         .81
_refine_diff_density_min         -.52
_refine_ls_extinction_coef       .0050(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .921
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3473
_refine_ls_R_factor_gt           .0249
_refine_ls_shift/su_max          -.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²) + (0.1P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1081
_reflns_number_gt                3473
_reflns_number_total             3977
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cf6131.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C12 H14 Mo2 N2 O11 '
_cod_database_code               2200843
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Mo1 .10169(3) .22379(2) .18327(3) .02390(10) Uani d . 1.00 . . Mo
Mo2 -.10913(3) .18319(2) .34093(3) .02500(10) Uani d . 1.00 . . Mo
O1 .0012(3) .4074(2) -.2042(3) .0432(6) Uani d . 1.00 . . O
O2 -.0123(3) .2828(2) -.0289(3) .0305(4) Uani d . 1.00 . . O
O3 -.5394(3) .1857(2) .0543(3) .0373(5) Uani d . 1.00 . . O
O4 -.2918(2) .2232(2) .1750(3) .0290(4) Uani d . 1.00 . . O
O5 .2496(3) .2033(2) .3211(3) .0363(5) Uani d . 1.00 . . O
O6 .1634(3) .1351(2) -.0258(3) .0329(5) Uani d . 1.00 . . O
O7 .0237(3) .3264(2) .3211(3) .0287(4) Uani d . 1.00 . . O
O8 -.0747(3) .0912(2) .1457(3) .0296(5) Uani d . 1.00 . . O
O9 -.0243(3) .1382(2) .5110(3) .0382(5) Uani d . 1.00 . . O
O10 -.1986(3) .2900(2) .5092(3) .0329(5) Uani d . 1.00 . . O
O11 .8091(3) .4922(2) .4223(3) .0430(6) Uani d . 1.00 . . O
N1 .2627(3) .3850(2) .1558(3) .0264(5) Uani d . 1.00 . . N
N2 -.3246(3) .0434(2) .3144(3) .0265(5) Uani d . 1.00 . . N
C1 .2079(3) .4397(3) .0370(4) .0274(6) Uani d . 1.00 . . C
C2 .2876(4) .5472(3) .0195(4) .0358(7) Uani d . 1.00 . . C
C3 .4324(4) .5987(3) .1261(4) .0385(7) Uani d . 1.00 . . C
C4 .4888(4) .5419(3) .2480(5) .0403(8) Uani d . 1.00 . . C
C5 .4031(4) .4352(3) .2594(4) .0342(7) Uani d . 1.00 . . C
C6 .0530(4) .3722(3) -.0762(4) .0296(6) Uani d . 1.00 . . C
C7 -.4546(3) .0579(2) .2226(4) .0257(5) Uani d . 1.00 . . C
C8 -.5963(4) -.0195(3) .2017(4) .0314(6) Uani d . 1.00 . . C
C9 -.6035(4) -.1143(3) .2783(4) .0366(7) Uani d . 1.00 . . C
C10 -.4725(4) -.1284(3) .3732(4) .0356(7) Uani d . 1.00 . . C
C11 -.3319(4) -.0488(3) .3884(4) .0309(6) Uani d . 1.00 . . C
C12 -.4316(3) .1635(2) .1419(3) .0251(5) Uani d . 1.00 . . C
H2 .2486 .5877 -.0642 .0341 Uiso calc . 1.00 . . H
H3 .4921 .6709 .1274 .0411 Uiso calc . 1.00 . . H
H4 .5893 .5804 .3367 .0409 Uiso calc . 1.00 . . H
H5 .4487 .3987 .3529 .0362 Uiso calc . 1.00 . . H
H8 -.6853 -.0064 .1435 .0293 Uiso calc . 1.00 . . H
H9 -.6981 -.1681 .2755 .0351 Uiso calc . 1.00 . . H
H10 -.4709 -.1903 .4388 .0364 Uiso calc . 1.00 . . H
H11 -.2411 -.0550 .4589 .0280 Uiso calc . 1.00 . . H
H12 .2657 .1435 -.0014 .0437 Uiso calc . 1.00 . . H
H13 .1077 .0594 -.0752 .0437 Uiso calc . 1.00 . . H
H14 -.2014 .3636 .4926 .0437 Uiso calc . 1.00 . . H
H15 -.1334 .3132 .6104 .0437 Uiso calc . 1.00 . . H
H16 .8703 .5159 .3424 .0455 Uiso calc . 1.00 . . H
H17 .8662 .5476 .5124 .0455 Uiso calc . 1.00 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .003 .002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H .000 .000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
O O .011 .006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N .006 .003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Mo Mo -1.683 .686
;International Tables for Crystallography
(1992, 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_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Mo2 Mo1 O2 1_555 1_555 100.88(7) no
Mo2 Mo1 O5 1_555 1_555 100.84(9) no
Mo2 Mo1 O6 1_555 1_555 137.13(6) no
Mo2 Mo1 O7 1_555 1_555 48.50(7) no
Mo2 Mo1 O8 1_555 1_555 49.32(8) no
Mo2 Mo1 N1 1_555 1_555 133.91(7) no
O2 Mo1 O5 1_555 1_555 157.30(10) yes
O2 Mo1 O6 1_555 1_555 77.23(9) yes
O2 Mo1 O7 1_555 1_555 86.28(9) yes
O2 Mo1 O8 1_555 1_555 90.43(9) yes
O2 Mo1 N1 1_555 1_555 72.44(8) yes
O5 Mo1 O6 1_555 1_555 91.10(10) yes
O5 Mo1 O7 1_555 1_555 103.50(10) yes
O5 Mo1 O8 1_555 1_555 108.70(10) yes
O5 Mo1 N1 1_555 1_555 87.80(10) yes
O6 Mo1 O7 1_555 1_555 163.30(10) yes
O6 Mo1 O8 1_555 1_555 87.83(9) yes
O6 Mo1 N1 1_555 1_555 87.07(9) yes
O7 Mo1 O8 1_555 1_555 95.01(10) yes
O7 Mo1 N1 1_555 1_555 85.42(10) yes
O8 Mo1 N1 1_555 1_555 162.81(10) yes
Mo1 Mo2 O4 1_555 1_555 100.79(7) no
Mo1 Mo2 O7 1_555 1_555 48.70(8) no
Mo1 Mo2 O8 1_555 1_555 48.79(6) no
Mo1 Mo2 O9 1_555 1_555 102.81(10) no
Mo1 Mo2 O10 1_555 1_555 134.76(6) no
Mo1 Mo2 N2 1_555 1_555 136.76(7) no
O4 Mo2 O7 1_555 1_555 87.56(9) yes
O4 Mo2 O8 1_555 1_555 89.06(9) yes
O4 Mo2 O9 1_555 1_555 156.40(10) yes
O4 Mo2 O10 1_555 1_555 75.87(9) yes
O4 Mo2 N2 1_555 1_555 72.43(9) yes
O7 Mo2 O8 1_555 1_555 94.70(10) yes
O7 Mo2 O9 1_555 1_555 109.00(10) yes
O7 Mo2 O10 1_555 1_555 86.13(10) yes
O7 Mo2 N2 1_555 1_555 159.80(10) yes
O8 Mo2 O9 1_555 1_555 105.70(10) yes
O8 Mo2 O10 1_555 1_555 164.87(9) yes
O8 Mo2 N2 1_555 1_555 88.02(9) yes
O9 Mo2 O10 1_555 1_555 88.20(10) yes
O9 Mo2 N2 1_555 1_555 89.40(10) yes
O10 Mo2 N2 1_555 1_555 86.16(9) yes
Mo1 O2 C6 1_555 1_555 121.6(2) yes
Mo2 O4 C12 1_555 1_555 123.0(2) yes
Mo1 O6 H12 1_555 1_555 110.4 no
Mo1 O6 H13 1_555 1_555 119.1 no
H12 O6 H13 1_555 1_555 111.9 no
Mo1 O7 Mo2 1_555 1_555 82.81(8) yes
Mo1 O8 Mo2 1_555 1_555 81.88(8) yes
Mo2 O10 H14 1_555 1_555 119.8 no
Mo2 O10 H15 1_555 1_555 109.9 no
H14 O10 H15 1_555 1_555 95.7 no
H16 O11 H17 1_555 1_555 96.9 no
Mo1 N1 C1 1_555 1_555 116.5(2) yes
Mo1 N1 C5 1_555 1_555 124.5(2) yes
C1 N1 C5 1_555 1_555 118.8(3) no
Mo2 N2 C7 1_555 1_555 116.1(2) yes
Mo2 N2 C11 1_555 1_555 124.5(2) yes
C7 N2 C11 1_555 1_555 119.4(3) no
N1 C1 C2 1_555 1_555 122.7(3) no
N1 C1 C6 1_555 1_555 113.7(3) no
C2 C1 C6 1_555 1_555 123.6(3) no
C1 C2 C3 1_555 1_555 118.4(3) no
C1 C2 H2 1_555 1_555 123.3 no
C3 C2 H2 1_555 1_555 118.3 no
C2 C3 C4 1_555 1_555 118.7(3) no
C2 C3 H3 1_555 1_555 124.8 no
C4 C3 H3 1_555 1_555 116.3 no
C3 C4 C5 1_555 1_555 120.0(3) no
C3 C4 H4 1_555 1_555 121.1 no
C5 C4 H4 1_555 1_555 118.7 no
N1 C5 C4 1_555 1_555 121.4(3) no
N1 C5 H5 1_555 1_555 122.0 no
C4 C5 H5 1_555 1_555 116.6 no
O1 C6 O2 1_555 1_555 126.0(3) no
O1 C6 C1 1_555 1_555 119.0(3) no
O2 C6 C1 1_555 1_555 115.0(3) no
N2 C7 C8 1_555 1_555 122.0(3) no
N2 C7 C12 1_555 1_555 114.6(2) no
C8 C7 C12 1_555 1_555 123.4(3) no
C7 C8 C9 1_555 1_555 118.4(3) no
C7 C8 H8 1_555 1_555 121.1 no
C9 C8 H8 1_555 1_555 120.3 no
C8 C9 C10 1_555 1_555 119.7(3) no
C8 C9 H9 1_555 1_555 122.7 no
C10 C9 H9 1_555 1_555 117.4 no
C9 C10 C11 1_555 1_555 119.7(3) no
C9 C10 H10 1_555 1_555 123.6 no
C11 C10 H10 1_555 1_555 116.6 no
N2 C11 C10 1_555 1_555 120.8(3) no
N2 C11 H11 1_555 1_555 118.4 no
C10 C11 H11 1_555 1_555 120.6 no
O3 C12 O4 1_555 1_555 125.1(3) no
O3 C12 C7 1_555 1_555 121.2(3) no
O4 C12 C7 1_555 1_555 113.7(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mo1 Mo2 . . 2.5538(5) yes
Mo1 O2 . . 2.155(2) yes
Mo1 O5 . . 1.683(3) yes
Mo1 O6 . . 2.156(3) yes
Mo1 O7 . . 1.934(3) yes
Mo1 O8 . . 1.941(2) yes
Mo1 N1 . . 2.234(3) yes
Mo2 O4 . . 2.144(2) yes
Mo2 O7 . . 1.928(2) yes
Mo2 O8 . . 1.956(3) yes
Mo2 O9 . . 1.688(3) yes
Mo2 O10 . . 2.187(3) yes
Mo2 N2 . . 2.242(2) yes
O1 C6 . . 1.243(4) yes
O2 C6 . . 1.267(4) yes
O3 C12 . . 1.215(4) yes
O4 C12 . . 1.278(3) yes
O6 H12 . . .905 no
O6 H13 . . .929 no
O10 H14 . . .928 no
O10 H15 . . .888 no
O11 H16 . . .985 no
O11 H17 . . .903 no
N1 C1 . . 1.341(4) no
N1 C5 . . 1.348(4) no
N2 C7 . . 1.348(4) no
N2 C11 . . 1.343(4) no
C1 C2 . . 1.383(4) no
C1 C6 . . 1.510(4) no
C2 C3 . . 1.388(4) no
C2 H2 . . .962 no
C3 C4 . . 1.382(5) no
C3 H3 . . .917 no
C4 C5 . . 1.377(5) no
C4 H4 . . 1.020 no
C5 H5 . . 1.010 no
C7 C8 . . 1.383(4) no
C7 C12 . . 1.517(4) no
C8 C9 . . 1.384(5) no
C8 H8 . . .925 no
C9 C10 . . 1.363(5) no
C9 H9 . . .955 no
C10 C11 . . 1.396(4) no
C10 H10 . . .986 no
C11 H11 . . .944 no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Mo1 Mo2 2.5538(5) .
O1 O10 2.658(3) 1_554
O1 O11 2.953(4) 2_665
O1 C1 3.346(5) 2_565
O1 C2 3.455(5) 2_565
O1 C6 3.488(4) 2_565
O1 O7 3.546(4) 2_565
O3 O6 2.594(3) 1_455
O3 C3 3.245(4) 2_565
O3 O5 3.250(4) 1_455
O3 C8 3.351(4) 2_455
O3 C9 3.381(5) 2_455
O3 C7 3.460(4) 2_455
O3 C5 3.469(4) 1_455
O3 N1 3.476(4) 1_455
O3 C10 3.533(4) 2_455
O4 C2 3.404(4) 2_565
O4 O11 3.411(3) 1_455
O4 C8 3.491(3) 2_455
O5 C10 3.293(4) 2_556
O5 C11 3.323(4) 2_556
O5 C8 3.464(4) 1_655
O6 O8 2.654(3) 2_555
O7 O11 2.733(3) 2_666
O7 O11 3.289(4) 1_455
O8 C8 3.567(4) 2_455
O9 O9 3.477(5) 2_556
O10 O11 2.643(4) 1_455
O10 C9 3.393(4) 2_456
O10 C6 3.580(3) 1_556
O11 O11 3.454(6) 2_766
O11 C2 3.509(4) 2_665
N2 C9 3.591(4) 2_456
C2 C4 3.552(6) 2_665
C3 C10 3.452(4) 1_665
C3 C3 3.572(8) 2_665
C7 C12 3.536(4) 2_455
C7 C10 3.569(5) 2_456
C7 C7 3.596(6) 2_455
C8 C12 3.211(4) 2_455
C8 C10 3.569(4) 2_456
C9 C11 3.404(5) 2_456
C9 C12 3.535(5) 2_455
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O6 H12 O3 1_655 .905 1.699 2.594(3) 169 yes
O6 H13 O8 2_555 .929 1.772 2.654(3) 158 yes
O10 H14 O11 1_455 .928 1.730 2.643(3) 167 yes
O10 H15 O1 1_556 .888 1.805 2.658(2) 160 yes
O11 H16 O1 2_665 .985 1.980 2.953(4) 169 yes
O11 H17 O7 2_666 .903 1.835 2.733(3) 173 yes
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Mo1 Mo2 O4 C12 1_555 1_555 1_555 1_555 140.1(2) no
Mo1 Mo2 N2 C7 1_555 1_555 1_555 1_555 -91.3(2) no
Mo1 Mo2 N2 C11 1_555 1_555 1_555 1_555 91.4(3) no
Mo1 O2 C6 O1 1_555 1_555 1_555 1_555 173.9(3) no
Mo1 O2 C6 C1 1_555 1_555 1_555 1_555 -5.9(4) no
Mo1 O7 Mo2 O4 1_555 1_555 1_555 1_555 -106.67(8) no
Mo1 O7 Mo2 O8 1_555 1_555 1_555 1_555 -17.81(9) no
Mo1 O7 Mo2 O9 1_555 1_555 1_555 1_555 90.50(10) no
Mo1 O7 Mo2 O10 1_555 1_555 1_555 1_555 177.34(9) no
Mo1 O7 Mo2 N2 1_555 1_555 1_555 1_555 -114.8(3) no
Mo1 O8 Mo2 O4 1_555 1_555 1_555 1_555 105.26(9) no
Mo1 O8 Mo2 O7 1_555 1_555 1_555 1_555 17.79(10) no
Mo1 O8 Mo2 O9 1_555 1_555 1_555 1_555 -93.50(10) no
Mo1 O8 Mo2 O10 1_555 1_555 1_555 1_555 110.3(3) no
Mo1 O8 Mo2 N2 1_555 1_555 1_555 1_555 177.70(10) no
Mo1 N1 C1 C2 1_555 1_555 1_555 1_555 172.0(3) no
Mo1 N1 C1 C6 1_555 1_555 1_555 1_555 -8.8(4) no
Mo1 N1 C5 C4 1_555 1_555 1_555 1_555 -171.9(3) no
Mo2 Mo1 O2 C6 1_555 1_555 1_555 1_555 133.9(2) no
Mo2 Mo1 N1 C1 1_555 1_555 1_555 1_555 -83.7(2) no
Mo2 Mo1 N1 C5 1_555 1_555 1_555 1_555 89.9(3) no
Mo2 O4 C12 O3 1_555 1_555 1_555 1_555 176.8(2) no
Mo2 O4 C12 C7 1_555 1_555 1_555 1_555 -3.5(3) no
Mo2 O7 Mo1 O2 1_555 1_555 1_555 1_555 108.07(8) no
Mo2 O7 Mo1 O5 1_555 1_555 1_555 1_555 -92.70(10) no
Mo2 O7 Mo1 O6 1_555 1_555 1_555 1_555 117.2(3) no
Mo2 O7 Mo1 O8 1_555 1_555 1_555 1_555 17.97(10) no
Mo2 O7 Mo1 N1 1_555 1_555 1_555 1_555 -179.27(9) no
Mo2 O8 Mo1 O2 1_555 1_555 1_555 1_555 -104.04(9) no
Mo2 O8 Mo1 O5 1_555 1_555 1_555 1_555 88.30(10) no
Mo2 O8 Mo1 O6 1_555 1_555 1_555 1_555 178.75(9) no
Mo2 O8 Mo1 O7 1_555 1_555 1_555 1_555 -17.74(10) no
Mo2 O8 Mo1 N1 1_555 1_555 1_555 1_555 -108.4(3) no
Mo2 N2 C7 C8 1_555 1_555 1_555 1_555 -177.5(2) no
Mo2 N2 C7 C12 1_555 1_555 1_555 1_555 4.0(3) no
Mo2 N2 C11 C10 1_555 1_555 1_555 1_555 176.2(2) no
O1 C6 C1 N1 1_555 1_555 1_555 1_555 -170.2(3) no
O1 C6 C1 C2 1_555 1_555 1_555 1_555 9.0(5) no
O2 Mo1 Mo2 O4 1_555 1_555 1_555 1_555 1.96(8) no
O2 Mo1 Mo2 O7 1_555 1_555 1_555 1_555 -75.00(10) no
O2 Mo1 Mo2 O8 1_555 1_555 1_555 1_555 81.10(10) no
O2 Mo1 Mo2 O9 1_555 1_555 1_555 1_555 -179.21(10) no
O2 Mo1 Mo2 O10 1_555 1_555 1_555 1_555 -78.80(10) no
O2 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 77.70(10) no
O2 Mo1 N1 C1 1_555 1_555 1_555 1_555 4.6(2) no
O2 Mo1 N1 C5 1_555 1_555 1_555 1_555 178.2(3) no
O2 C6 C1 N1 1_555 1_555 1_555 1_555 9.6(4) no
O2 C6 C1 C2 1_555 1_555 1_555 1_555 -171.2(3) no
O3 C12 C7 N2 1_555 1_555 1_555 1_555 179.1(3) no
O3 C12 C7 C8 1_555 1_555 1_555 1_555 .6(5) no
O4 Mo2 Mo1 O5 1_555 1_555 1_555 1_555 175.44(10) no
O4 Mo2 Mo1 O6 1_555 1_555 1_555 1_555 -80.90(10) no
O4 Mo2 Mo1 O7 1_555 1_555 1_555 1_555 77.00(10) no
O4 Mo2 Mo1 O8 1_555 1_555 1_555 1_555 -79.10(10) no
O4 Mo2 Mo1 N1 1_555 1_555 1_555 1_555 78.00(10) no
O4 Mo2 N2 C7 1_555 1_555 1_555 1_555 -4.2(2) no
O4 Mo2 N2 C11 1_555 1_555 1_555 1_555 178.6(3) no
O4 C12 C7 N2 1_555 1_555 1_555 1_555 -.6(4) no
O4 C12 C7 C8 1_555 1_555 1_555 1_555 -179.1(3) no
O5 Mo1 Mo2 O7 1_555 1_555 1_555 1_555 98.50(10) no
O5 Mo1 Mo2 O8 1_555 1_555 1_555 1_555 -105.50(10) no
O5 Mo1 Mo2 O9 1_555 1_555 1_555 1_555 -5.70(10) no
O5 Mo1 Mo2 O10 1_555 1_555 1_555 1_555 94.70(10) no
O5 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 -108.80(10) no
O5 Mo1 O2 C6 1_555 1_555 1_555 1_555 -29.2(4) no
O5 Mo1 N1 C1 1_555 1_555 1_555 1_555 173.4(2) no
O5 Mo1 N1 C5 1_555 1_555 1_555 1_555 -13.0(3) no
O6 Mo1 Mo2 O7 1_555 1_555 1_555 1_555 -157.90(10) no
O6 Mo1 Mo2 O8 1_555 1_555 1_555 1_555 -1.80(10) no
O6 Mo1 Mo2 O9 1_555 1_555 1_555 1_555 97.90(10) no
O6 Mo1 Mo2 O10 1_555 1_555 1_555 1_555 -161.70(10) no
O6 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 -5.20(10) no
O6 Mo1 O2 C6 1_555 1_555 1_555 1_555 -89.9(3) no
O6 Mo1 N1 C1 1_555 1_555 1_555 1_555 82.2(2) no
O6 Mo1 N1 C5 1_555 1_555 1_555 1_555 -104.3(3) no
O7 Mo1 Mo2 O8 1_555 1_555 1_555 1_555 156.10(10) no
O7 Mo1 Mo2 O9 1_555 1_555 1_555 1_555 -104.20(10) no
O7 Mo1 Mo2 O10 1_555 1_555 1_555 1_555 -3.70(10) no
O7 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 152.70(10) no
O7 Mo1 O2 C6 1_555 1_555 1_555 1_555 87.5(3) no
O7 Mo1 N1 C1 1_555 1_555 1_555 1_555 -82.9(2) no
O7 Mo1 N1 C5 1_555 1_555 1_555 1_555 90.6(3) no
O7 Mo2 Mo1 O8 1_555 1_555 1_555 1_555 -156.10(10) no
O7 Mo2 Mo1 N1 1_555 1_555 1_555 1_555 1.00(10) no
O7 Mo2 O4 C12 1_555 1_555 1_555 1_555 -172.8(2) no
O7 Mo2 N2 C7 1_555 1_555 1_555 1_555 4.4(4) no
O7 Mo2 N2 C11 1_555 1_555 1_555 1_555 -172.9(3) no
O8 Mo1 Mo2 O9 1_555 1_555 1_555 1_555 99.70(10) no
O8 Mo1 Mo2 O10 1_555 1_555 1_555 1_555 -159.80(10) no
O8 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 -3.40(10) no
O8 Mo1 O2 C6 1_555 1_555 1_555 1_555 -177.5(3) no
O8 Mo1 N1 C1 1_555 1_555 1_555 1_555 9.3(5) no
O8 Mo1 N1 C5 1_555 1_555 1_555 1_555 -177.2(3) no
O8 Mo2 Mo1 N1 1_555 1_555 1_555 1_555 157.10(10) no
O8 Mo2 O4 C12 1_555 1_555 1_555 1_555 92.5(2) no
O8 Mo2 N2 C7 1_555 1_555 1_555 1_555 -93.8(2) no
O8 Mo2 N2 C11 1_555 1_555 1_555 1_555 88.9(3) no
O9 Mo2 Mo1 N1 1_555 1_555 1_555 1_555 -103.20(10) no
O9 Mo2 O4 C12 1_555 1_555 1_555 1_555 -37.1(4) no
O9 Mo2 N2 C7 1_555 1_555 1_555 1_555 160.5(2) no
O9 Mo2 N2 C11 1_555 1_555 1_555 1_555 -16.8(3) no
O10 Mo2 Mo1 N1 1_555 1_555 1_555 1_555 -2.70(10) no
O10 Mo2 O4 C12 1_555 1_555 1_555 1_555 -86.2(2) no
O10 Mo2 N2 C7 1_555 1_555 1_555 1_555 72.2(2) no
O10 Mo2 N2 C11 1_555 1_555 1_555 1_555 -105.1(3) no
N1 Mo1 Mo2 N2 1_555 1_555 1_555 1_555 153.70(10) no
N1 Mo1 O2 C6 1_555 1_555 1_555 1_555 1.1(2) no
N1 C1 C2 C3 1_555 1_555 1_555 1_555 2.0(6) no
N1 C5 C4 C3 1_555 1_555 1_555 1_555 -1.3(6) no
N2 Mo2 O4 C12 1_555 1_555 1_555 1_555 4.2(2) no
N2 C7 C8 C9 1_555 1_555 1_555 1_555 .2(5) no
N2 C11 C10 C9 1_555 1_555 1_555 1_555 1.9(5) no
C1 N1 C5 C4 1_555 1_555 1_555 1_555 1.5(5) no
C1 C2 C3 C4 1_555 1_555 1_555 1_555 -1.7(6) no
C2 C1 N1 C5 1_555 1_555 1_555 1_555 -1.9(5) no
C2 C3 C4 C5 1_555 1_555 1_555 1_555 1.4(6) no
C3 C2 C1 C6 1_555 1_555 1_555 1_555 -177.1(3) no
C5 N1 C1 C6 1_555 1_555 1_555 1_555 177.3(3) no
C7 N2 C11 C10 1_555 1_555 1_555 1_555 -1.0(5) no
C7 C8 C9 C10 1_555 1_555 1_555 1_555 .8(5) no
C8 C7 N2 C11 1_555 1_555 1_555 1_555 -.1(5) no
C8 C9 C10 C11 1_555 1_555 1_555 1_555 -1.8(5) no
C9 C8 C7 C12 1_555 1_555 1_555 1_555 178.6(3) no
C11 N2 C7 C12 1_555 1_555 1_555 1_555 -178.6(3) no
