#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:16:14 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180497 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/66/7216649.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_7216649
loop_
_publ_author_name
'Yang, Donghui'
'Liang, Yanfen'
'Ma, Pengtao'
'Li, Suzhi'
'Wang, Jingping'
'Niu, Jingyang'
_publ_section_title
;
 Self assembly of carboxylate/alcoholate functionalized ring-shape
 phosphomolybdates
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              8041
_journal_paper_doi               10.1039/C4CE00580E
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C12 H66 Mo12 N10 O60 P2'
_chemical_formula_weight         2523.95
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 117.472(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.184(6)
_cell_length_b                   17.929(7)
_cell_length_c                   16.115(6)
_cell_measurement_reflns_used    2126
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.04
_cell_measurement_theta_min      2.73
_cell_volume                     3892(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0830
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19556
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    2.011
_exptl_absorpt_correction_T_max  0.7660
_exptl_absorpt_correction_T_min  0.4329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2440
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.267
_refine_diff_density_min         -1.286
_refine_diff_density_rms         0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         7010
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.1559
_refine_ls_R_factor_gt           0.1098
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1637P)²+113.1657P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3193
_refine_ls_wR_factor_ref         0.3417
_reflns_number_gt                4126
_reflns_number_total             7010
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00580e2.cif
_cod_data_source_block           njy1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7216645--7216650.cif.
;
_cod_original_cell_volume        3893(3)
_cod_original_sg_symbol_H-M      P2(1)/m
_cod_database_code               7216649
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.06934(12) 0.34397(9) 0.36854(11) 0.0401(5) Uani 1 1 d .
Mo2 Mo 0.30187(12) 0.44264(9) 0.47878(12) 0.0411(5) Uani 1 1 d .
Mo3 Mo 0.51908(12) 0.34954(9) 0.59480(12) 0.0397(5) Uani 1 1 d .
Mo4 Mo 0.56105(13) 0.35090(11) 1.18054(12) 0.0482(5) Uani 1 1 d .
Mo5 Mo 0.34386(14) 0.44346(11) 1.07658(13) 0.0530(5) Uani 1 1 d .
Mo6 Mo 0.11182(13) 0.34367(12) 0.95931(14) 0.0564(6) Uani 1 1 d .
P1 P 0.2932(5) 0.2500 0.5040(4) 0.0313(13) Uani 1 2 d S
P2 P 0.3401(5) 0.2500 1.0503(5) 0.0403(16) Uani 1 2 d S
O1 O 0.0885(10) 0.3513(7) 0.2716(9) 0.045(3) Uani 1 1 d .
O2 O -0.0298(11) 0.4006(8) 0.3453(9) 0.055(4) Uani 1 1 d .
O3 O -0.0008(12) 0.2500 0.3318(10) 0.038(4) Uani 1 2 d S
O4 O 0.0685(9) 0.3165(8) 0.5049(8) 0.045(3) Uani 1 1 d .
O5 O 0.1770(9) 0.4024(7) 0.4539(8) 0.039(3) Uani 1 1 d .
O6 O 0.1900(12) 0.2500 0.4233(11) 0.036(4) Uani 1 2 d S
O7 O 0.2855(12) 0.5348(8) 0.4927(11) 0.070(4) Uani 1 1 d .
O8 O 0.2919(9) 0.4356(7) 0.3653(9) 0.045(3) Uani 1 1 d .
O9 O 0.4465(10) 0.4397(6) 0.5465(8) 0.043(3) Uani 1 1 d .
O10 O 0.3173(8) 0.4306(7) 0.6228(8) 0.037(3) Uani 1 1 d .
O11 O 0.3515(9) 0.3190(6) 0.5063(8) 0.039(3) Uani 1 1 d .
O12 O 0.5404(10) 0.3313(8) 0.5007(11) 0.057(4) Uani 1 1 d .
O13 O 0.6291(10) 0.3853(8) 0.6769(9) 0.057(4) Uani 1 1 d .
O14 O 0.5247(12) 0.2500 0.6381(12) 0.039(4) Uani 1 2 d S
O15 O 0.4683(12) 0.3643(7) 0.7028(9) 0.052(4) Uani 1 1 d U
O16 O 0.6777(12) 0.3873(10) 1.2078(13) 0.082(5) Uani 1 1 d .
O17 O 0.5744(14) 0.2500 1.1544(12) 0.047(5) Uani 1 2 d S
O18 O 0.5653(10) 0.3374(10) 1.2894(10) 0.064(4) Uani 1 1 d .
O19 O 0.4846(10) 0.4396(8) 1.1524(9) 0.056(4) Uani 1 1 d .
O20 O 0.5312(9) 0.3570(7) 1.0339(8) 0.040(3) Uani 1 1 d .
O21 O 0.3912(9) 0.3198(8) 1.1045(8) 0.048(3) Uani 1 1 d .
O22 O 0.3123(13) 0.4424(10) 1.1661(12) 0.077(5) Uani 1 1 d .
O23 O 0.3260(12) 0.5353(9) 1.0416(12) 0.075(5) Uani 1 1 d .
O24 O 0.3789(11) 0.4238(8) 0.9576(10) 0.057(4) Uani 1 1 d .
O25 O 0.2238(10) 0.4021(8) 0.9812(9) 0.051(3) Uani 1 1 d .
O26 O 0.0198(11) 0.4016(11) 0.8875(13) 0.094(6) Uani 1 1 d .
O27 O 0.0402(13) 0.2500 0.9250(15) 0.061(6) Uani 1 2 d S
O28 O 0.1124(10) 0.3532(9) 1.0667(11) 0.066(4) Uani 1 1 d .
O29 O 0.1326(12) 0.3154(11) 0.8338(10) 0.075(5) Uani 1 1 d .
O30 O 0.2281(12) 0.2500 1.0257(11) 0.044(4) Uani 1 2 d S
C1 C 0.0671(18) 0.2500 0.5412(16) 0.055(8) Uani 1 2 d SD
C2 C 0.052(2) 0.2500 0.6252(16) 0.063(8) Uani 1 2 d SDU
H2A H 0.0141 0.2938 0.6244 0.075 Uiso 0.50 1 calc PR
H2B H 0.0141 0.2062 0.6244 0.075 Uiso 0.50 1 calc PR
C3 C 0.147(2) 0.2500 0.7117(16) 0.090(13) Uani 1 2 d SD
H3A H 0.1846 0.2064 0.7107 0.108 Uiso 0.50 1 calc PR
H3B H 0.1846 0.2936 0.7107 0.108 Uiso 0.50 1 calc PR
C4 C 0.142(2) 0.2500 0.8009(18) 0.077(12) Uani 1 2 d SD
C5 C 0.3909(17) 0.3988(12) 0.6990(13) 0.055(6) Uani 1 1 d D
C6 C 0.3775(14) 0.4074(11) 0.7840(9) 0.056(6) Uani 1 1 d D
H6A H 0.3723 0.4601 0.7947 0.067 Uiso 1 1 calc R
H6B H 0.3156 0.3838 0.7731 0.067 Uiso 1 1 calc R
C7 C 0.4590(17) 0.3748(13) 0.8687(11) 0.070(7) Uani 1 1 d D
H7A H 0.5209 0.3965 0.8766 0.084 Uiso 1 1 calc R
H7B H 0.4618 0.3218 0.8580 0.084 Uiso 1 1 calc R
C8 C 0.454(2) 0.3842(13) 0.9573(14) 0.063(6) Uani 1 1 d D
N1 N 0.4133(18) 0.2500 0.3243(16) 0.056(7) Uani 1 2 d S
N2 N 0.2126(18) 0.2500 0.223(2) 0.064(7) Uani 1 2 d S
N3 N 0.4661(13) 0.4335(9) 0.3496(12) 0.053(4) Uani 1 1 d .
N4 N 0.144(2) 0.4916(16) 0.1900(19) 0.111(10) Uani 1 1 d .
N5 N 0.657(2) 0.2500 0.011(2) 0.095(11) Uani 1 2 d S
N6 N 0.649(3) 0.2500 0.8410(19) 0.118(15) Uani 1 2 d S
N7 N 0.207(3) 0.6138(17) 0.110(2) 0.049(8) Uani 0.50 1 d P
N8 N 0.141(3) 0.462(2) 0.619(3) 0.065(11) Uani 0.50 1 d P
O1W O 0.180(3) 0.502(3) 0.820(3) 0.106(16) Uani 0.50 1 d P
O2W O 0.085(3) 0.591(3) -0.091(3) 0.105(14) Uani 0.50 1 d P
O3W O 0.700(3) 0.2500 1.469(4) 0.10(2) Uani 0.50 2 d SP
O4W O -0.056(4) 0.435(3) 0.685(3) 0.14(2) Uani 0.50 1 d P
O5W O -0.152(3) 0.2500 0.791(3) 0.086(16) Uani 0.50 2 d SP
O6W O -0.172(3) 0.2500 0.341(5) 0.13(3) Uani 0.50 2 d SP
O7W O 0.202(3) 0.653(3) 0.356(3) 0.14(2) Uani 0.50 1 d P
O8W O -0.192(5) 0.371(4) 0.417(4) 0.08(2) Uani 0.25 1 d P
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O2 Mo1 O1 104.8(6) . .
O2 Mo1 O5 102.0(6) . .
O1 Mo1 O5 99.6(6) . .
O2 Mo1 O3 98.4(7) . .
O1 Mo1 O3 95.1(6) . .
O5 Mo1 O3 150.8(5) . .
O2 Mo1 O4 86.7(5) . .
O1 Mo1 O4 168.4(5) . .
O5 Mo1 O4 78.7(5) . .
O3 Mo1 O4 81.9(6) . .
O2 Mo1 O6 165.4(6) . .
O1 Mo1 O6 88.1(5) . .
O5 Mo1 O6 82.0(5) . .
O3 Mo1 O6 73.3(5) . .
O4 Mo1 O6 80.3(5) . .
O7 Mo2 O8 104.9(7) . .
O7 Mo2 O5 101.8(7) . .
O8 Mo2 O5 98.9(5) . .
O7 Mo2 O9 98.5(7) . .
O8 Mo2 O9 96.5(5) . .
O5 Mo2 O9 150.3(5) . .
O7 Mo2 O10 84.8(6) . .
O8 Mo2 O10 170.3(5) . .
O5 Mo2 O10 78.3(5) . .
O9 Mo2 O10 82.2(5) . .
O7 Mo2 O11 163.4(6) . .
O8 Mo2 O11 89.7(5) . .
O5 Mo2 O11 83.2(5) . .
O9 Mo2 O11 71.6(5) . .
O10 Mo2 O11 80.8(4) . .
O13 Mo3 O12 103.9(7) . .
O13 Mo3 O14 101.9(7) . .
O12 Mo3 O14 98.6(7) . .
O13 Mo3 O9 99.9(6) . .
O12 Mo3 O9 96.3(6) . .
O14 Mo3 O9 149.7(6) . .
O13 Mo3 O15 85.2(6) . .
O12 Mo3 O15 170.8(6) . .
O14 Mo3 O15 78.3(6) . .
O9 Mo3 O15 82.8(5) . .
O13 Mo3 O11 164.1(6) . .
O12 Mo3 O11 90.7(6) . .
O14 Mo3 O11 81.7(6) . .
O9 Mo3 O11 71.8(5) . .
O15 Mo3 O11 80.3(5) . .
O18 Mo4 O16 103.7(8) . .
O18 Mo4 O17 97.7(7) . .
O16 Mo4 O17 102.3(8) . .
O18 Mo4 O19 95.2(7) . .
O16 Mo4 O19 100.6(8) . .
O17 Mo4 O19 150.1(7) . .
O18 Mo4 O20 169.9(6) . .
O16 Mo4 O20 86.2(7) . .
O17 Mo4 O20 78.3(6) . .
O19 Mo4 O20 84.3(5) . .
O18 Mo4 O21 90.8(6) . .
O16 Mo4 O21 164.0(7) . .
O17 Mo4 O21 82.1(7) . .
O19 Mo4 O21 70.9(5) . .
O20 Mo4 O21 79.6(4) . .
O22 Mo5 O23 102.9(8) . .
O22 Mo5 O25 98.0(7) . .
O23 Mo5 O25 99.2(7) . .
O22 Mo5 O19 97.2(7) . .
O23 Mo5 O19 101.8(7) . .
O25 Mo5 O19 150.5(6) . .
O22 Mo5 O24 170.1(7) . .
O23 Mo5 O24 86.2(7) . .
O25 Mo5 O24 76.5(5) . .
O19 Mo5 O24 84.5(6) . .
O22 Mo5 O21 90.5(7) . .
O23 Mo5 O21 165.9(7) . .
O25 Mo5 O21 83.1(5) . .
O19 Mo5 O21 71.7(5) . .
O24 Mo5 O21 80.8(5) . .
O26 Mo6 O28 104.1(9) . .
O26 Mo6 O25 100.1(8) . .
O28 Mo6 O25 99.8(7) . .
O26 Mo6 O27 99.2(8) . .
O28 Mo6 O27 96.5(8) . .
O25 Mo6 O27 150.8(7) . .
O26 Mo6 O29 86.4(9) . .
O28 Mo6 O29 169.4(7) . .
O25 Mo6 O29 78.7(6) . .
O27 Mo6 O29 80.8(8) . .
O26 Mo6 O30 166.8(8) . .
O28 Mo6 O30 87.6(6) . .
O25 Mo6 O30 83.5(5) . .
O27 Mo6 O30 73.2(5) . .
O29 Mo6 O30 81.8(6) . .
O6 P1 O11 112.7(6) . .
O6 P1 O11 112.7(6) . 4_565
O11 P1 O11 110.0(10) . 4_565
O21 P2 O21 111.0(11) . 4_565
O21 P2 O30 110.8(6) . .
O21 P2 O30 110.8(6) 4_565 .
Mo1 O3 Mo1 121.2(8) . 4_565
C1 O4 Mo1 129.1(12) . .
Mo2 O5 Mo1 144.1(7) . .
P1 O6 Mo1 130.3(4) . 4_565
P1 O6 Mo1 130.3(4) . .
Mo1 O6 Mo1 92.0(6) 4_565 .
Mo3 O9 Mo2 122.7(6) . .
C5 O10 Mo2 129.3(10) . .
P1 O11 Mo2 130.1(7) . .
P1 O11 Mo3 131.8(7) . .
Mo2 O11 Mo3 93.4(4) . .
Mo3 O14 Mo3 139.3(10) 4_565 .
C5 O15 Mo3 130.6(12) . .
Mo4 O17 Mo4 146.4(9) 4_565 .
Mo4 O19 Mo5 124.3(7) . .
C8 O20 Mo4 131.7(11) . .
P2 O21 Mo5 130.4(7) . .
P2 O21 Mo4 129.8(8) . .
Mo5 O21 Mo4 92.4(5) . .
C8 O24 Mo5 128.4(13) . .
Mo6 O25 Mo5 144.0(8) . .
Mo6 O27 Mo6 120.2(9) . 4_565
C4 O29 Mo6 130.5(15) . .
P2 O30 Mo6 129.0(5) . 4_565
P2 O30 Mo6 129.0(5) . .
Mo6 O30 Mo6 93.2(6) 4_565 .
O4 C1 O4 127(2) . 4_565
O4 C1 C2 116.3(10) . .
O4 C1 C2 116.3(10) 4_565 .
C3 C2 C1 112(2) . .
C3 C2 H2A 109.3 . .
C1 C2 H2A 109.3 . .
C3 C2 H2B 109.3 . .
C1 C2 H2B 109.3 . .
H2A C2 H2B 108.0 . .
C4 C3 C2 117(2) . .
C4 C3 H3A 108.1 . .
C2 C3 H3A 108.1 . .
C4 C3 H3B 108.1 . .
C2 C3 H3B 108.1 . .
H3A C3 H3B 107.3 . .
O29 C4 O29 125(2) 4_565 .
O29 C4 C3 117.1(12) 4_565 .
O29 C4 C3 117.1(12) . .
O15 C5 O10 126.4(14) . .
O15 C5 C6 120.7(19) . .
O10 C5 C6 112.9(17) . .
C7 C6 C5 113.6(17) . .
C7 C6 H6A 108.8 . .
C5 C6 H6A 108.8 . .
C7 C6 H6B 108.8 . .
C5 C6 H6B 108.8 . .
H6A C6 H6B 107.7 . .
C6 C7 C8 116.9(18) . .
C6 C7 H7A 108.1 . .
C8 C7 H7A 108.1 . .
C6 C7 H7B 108.1 . .
C8 C7 H7B 108.1 . .
H7A C7 H7B 107.3 . .
O24 C8 O20 125.0(15) . .
O24 C8 C7 119(2) . .
O20 C8 C7 115.5(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O2 1.707(13) .
Mo1 O1 1.721(13) .
Mo1 O5 1.895(12) .
Mo1 O3 1.934(8) .
Mo1 O4 2.257(11) .
Mo1 O6 2.341(11) .
Mo2 O7 1.702(14) .
Mo2 O8 1.769(13) .
Mo2 O5 1.890(12) .
Mo2 O9 1.951(13) .
Mo2 O10 2.233(11) .
Mo2 O11 2.317(11) .
Mo3 O13 1.706(13) .
Mo3 O12 1.721(14) .
Mo3 O14 1.904(6) .
Mo3 O9 1.909(12) .
Mo3 O15 2.220(12) .
Mo3 O11 2.337(12) .
Mo4 O18 1.743(14) .
Mo4 O16 1.744(16) .
Mo4 O17 1.890(5) .
Mo4 O19 1.897(15) .
Mo4 O20 2.194(12) .
Mo4 O21 2.355(12) .
Mo5 O22 1.718(17) .
Mo5 O23 1.721(17) .
Mo5 O25 1.911(14) .
Mo5 O19 1.912(13) .
Mo5 O24 2.242(13) .
Mo5 O21 2.310(14) .
Mo6 O26 1.697(15) .
Mo6 O28 1.735(15) .
Mo6 O25 1.886(14) .
Mo6 O27 1.937(9) .
Mo6 O29 2.245(15) .
Mo6 O30 2.311(12) .
P1 O6 1.506(17) .
P1 O11 1.511(13) .
P1 O11 1.511(12) 4_565
P2 O21 1.519(14) .
P2 O21 1.519(14) 4_565
P2 O30 1.558(18) .
O3 Mo1 1.934(8) 4_565
O4 C1 1.333(16) .
O6 Mo1 2.341(11) 4_565
O10 C5 1.35(3) .
O14 Mo3 1.904(6) 4_565
O15 C5 1.31(3) .
O17 Mo4 1.890(5) 4_565
O20 C8 1.34(3) .
O24 C8 1.34(3) .
O27 Mo6 1.937(9) 4_565
O29 C4 1.32(2) .
O30 Mo6 2.311(12) 4_565
C1 O4 1.333(16) 4_565
C1 C2 1.474(10) .
C2 C3 1.474(10) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.474(10) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 O29 1.32(2) 4_565
C5 C6 1.482(10) .
C6 C7 1.476(10) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.477(10) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
