#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:21:35 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180074 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/20/7052049.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_7052049
loop_
_publ_author_name
'Reinaldo Atencio'
'Alexander Briceño'
'Pedro Silva'
'José A. Rodríguez'
'Jonathan C. Hanson'
_publ_section_title
;
 Sequential transformations in assemblies based on octamolybdate
 clusters and 1,2-bis(4-pyridyl)ethane
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              33
_journal_paper_doi               10.1039/b603996k
_journal_volume                  31
_journal_year                    2007
_chemical_compound_source        Synthesis
_chemical_formula_moiety         'C24 H26 Mo8 N4 O26, C12 H14 N2'
_chemical_formula_sum            'C36 H40 Mo8 N6 O26'
_chemical_formula_weight         1740.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 101.447(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.581(3)
_cell_length_b                   17.146(7)
_cell_length_c                   12.875(3)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.02
_cell_measurement_theta_min      21.23
_cell_volume                     2505.7(14)
_computing_cell_refinement
;
MSC/AFC, Diffractometer Control Software (Molecular
Structure Corporation, 1993a)
;
_computing_data_collection
;
MSC/AFC, Diffractometer Control Software (Molecular
Structure Corporation, 1993a)
;
_computing_data_reduction
;
TEXSAN, (Molecular Structure Corporation, 1993a)
;
_computing_molecular_graphics    'SHELXTL (Siemens, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXLTL-NT V5.1 (Bruker AXS, 1998)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       'ω-2θ 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  0.1000
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4577
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.028
_exptl_absorpt_correction_T_max  0.687
_exptl_absorpt_correction_T_min  0.412
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al.,1968)'
_exptl_crystal_colour            Yellow-grey
_exptl_crystal_density_diffrn    2.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.770
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         4281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0426
_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)+(0.0478P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                2960
_reflns_number_total             4281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b603996k.txt
_cod_data_source_block           p21c-p
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Psi-scan' changed to
'psi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        2505.7(13)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7052049
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.75429(6) -0.11886(4) -0.17726(5) 0.02838(18) Uani 1 1 d . . .
Mo2 Mo 0.85814(6) 0.04313(4) -0.25399(5) 0.02977(19) Uani 1 1 d . . .
Mo3 Mo 0.85777(6) 0.01113(4) 0.01317(5) 0.02241(17) Uani 1 1 d . . .
Mo4 Mo 0.98378(6) -0.15655(4) 0.08058(5) 0.02532(18) Uani 1 1 d . . .
N1 N 0.6364(6) -0.1428(4) -0.0596(5) 0.0299(16) Uani 1 1 d . . .
N2 N 0.0737(15) -0.3569(10) 0.2459(12) 0.028(4) Uiso 0.50 1 d P A 1
H2C H 0.0043 -0.3721 0.2512 0.034 Uiso 0.50 1 calc PR A 1
N2A N 0.0627(16) -0.3786(10) 0.2075(14) 0.042(4) Uiso 0.50 1 d P B 2
H2AC H 0.0003 -0.3980 0.2239 0.050 Uiso 0.50 1 calc PR B 2
N3 N 0.2382(7) 0.1045(4) -0.3113(6) 0.048(2) Uani 1 1 d . . .
H3N H 0.1908 0.1192 -0.2714 0.057 Uiso 1 1 calc R . .
C1 C 0.3802(10) -0.2114(7) 0.1234(10) 0.076(4) Uani 1 1 d . . .
H1A H 0.3501 -0.1646 0.1511 0.091 Uiso 1 1 d R A .
H1B H 0.3165 -0.2324 0.0703 0.091 Uiso 1 1 d R . .
C2 C 0.4005(19) -0.2681(14) 0.2034(18) 0.064(6) Uiso 0.50 1 d P A 1
H2A H 0.4411 -0.2440 0.2687 0.077 Uiso 0.50 1 calc PR A 1
H2B H 0.4519 -0.3080 0.1842 0.077 Uiso 0.50 1 calc PR A 1
C2A C 0.373(2) -0.2978(14) 0.131(2) 0.073(7) Uiso 0.50 1 d P B 2
H2AA H 0.3767 -0.3206 0.0627 0.088 Uiso 0.50 1 calc PR B 2
H2AB H 0.4408 -0.3166 0.1819 0.088 Uiso 0.50 1 calc PR B 2
C3 C 0.4808(8) 0.0418(5) -0.5043(6) 0.039(2) Uani 1 1 d . . .
H3A H 0.4465 0.0534 -0.5777 0.046 Uiso 1 1 calc R . .
H3B H 0.5492 0.0750 -0.4833 0.046 Uiso 1 1 calc R . .
C11 C 0.4753(8) -0.1856(5) 0.0662(8) 0.046(2) Uani 1 1 d . A .
C12 C 0.4561(8) -0.1233(6) -0.0020(8) 0.053(3) Uani 1 1 d . . .
H12A H 0.3872 -0.0944 -0.0080 0.064 Uiso 1 1 calc R A .
C13 C 0.5376(8) -0.1033(5) -0.0614(7) 0.046(2) Uani 1 1 d . A .
H13A H 0.5229 -0.0598 -0.1051 0.055 Uiso 1 1 calc R . .
C14 C 0.6573(7) -0.2038(5) 0.0079(7) 0.036(2) Uani 1 1 d . A .
H14A H 0.7269 -0.2317 0.0123 0.043 Uiso 1 1 calc R . .
C15 C 0.5801(8) -0.2259(6) 0.0702(7) 0.043(2) Uani 1 1 d . . .
H15A H 0.5978 -0.2683 0.1155 0.052 Uiso 1 1 calc R A .
C21 C 0.2870(19) -0.3070(12) 0.2232(18) 0.046(5) Uiso 0.50 1 d P A 1
C21A C 0.263(2) -0.3241(16) 0.164(2) 0.061(6) Uiso 0.50 1 d P B 2
C22 C 0.2295(16) -0.2726(11) 0.2957(15) 0.037(4) Uiso 0.50 1 d P A 1
H22A H 0.2658 -0.2318 0.3376 0.045 Uiso 0.50 1 calc PR A 1
C22A C 0.2242(19) -0.2938(12) 0.2476(16) 0.042(5) Uiso 0.50 1 d P B 2
H22B H 0.2677 -0.2558 0.2897 0.050 Uiso 0.50 1 calc PR B 2
C23 C 0.1237(19) -0.2965(13) 0.3069(18) 0.046(6) Uiso 0.50 1 d P A 1
H23A H 0.0850 -0.2726 0.3551 0.055 Uiso 0.50 1 calc PR A 1
C23A C 0.1170(18) -0.3204(14) 0.2703(17) 0.035(5) Uiso 0.50 1 d P B 2
H23B H 0.0853 -0.2994 0.3251 0.042 Uiso 0.50 1 calc PR B 2
C24 C 0.131(2) -0.3947(15) 0.176(2) 0.065(7) Uiso 0.50 1 d P A 1
H24A H 0.0978 -0.4387 0.1390 0.078 Uiso 0.50 1 calc PR A 1
C24A C 0.095(2) -0.4075(13) 0.1259(18) 0.054(6) Uiso 0.50 1 d P B 2
H24B H 0.0513 -0.4460 0.0850 0.065 Uiso 0.50 1 calc PR B 2
C25 C 0.237(2) -0.3658(15) 0.1611(19) 0.055(6) Uiso 0.50 1 d P A 1
H25A H 0.2737 -0.3865 0.1094 0.065 Uiso 0.50 1 calc PR A 1
C25A C 0.1962(19) -0.3798(12) 0.1017(18) 0.053(5) Uiso 0.50 1 d P B 2
H25B H 0.2209 -0.3986 0.0419 0.064 Uiso 0.50 1 calc PR B 2
C31 C 0.3923(8) 0.0607(5) -0.4367(6) 0.035(2) Uani 1 1 d . . .
C32 C 0.4213(8) 0.0564(5) -0.3255(6) 0.039(2) Uani 1 1 d . . .
H32A H 0.4960 0.0398 -0.2924 0.047 Uiso 1 1 calc R . .
C33 C 0.3425(9) 0.0759(6) -0.2667(7) 0.050(3) Uani 1 1 d . . .
H33A H 0.3612 0.0693 -0.1936 0.060 Uiso 1 1 calc R . .
C34 C 0.2042(8) 0.1114(5) -0.4169(7) 0.042(2) Uani 1 1 d . . .
H34A H 0.1296 0.1300 -0.4470 0.051 Uiso 1 1 calc R . .
C35 C 0.2819(8) 0.0902(5) -0.4787(7) 0.039(2) Uani 1 1 d . . .
H35A H 0.2599 0.0959 -0.5518 0.046 Uiso 1 1 calc R . .
O11 O 0.6213(5) -0.1034(4) -0.2605(4) 0.0435(16) Uani 1 1 d . . .
O12 O 0.7787(6) -0.2154(3) -0.1879(4) 0.0439(16) Uani 1 1 d . . .
O14 O 0.8707(4) -0.1085(3) -0.0328(4) 0.0270(12) Uani 1 1 d . . .
O21 O 0.8610(5) -0.0742(3) -0.2544(4) 0.0329(13) Uani 1 1 d . . .
O22 O 0.7301(5) 0.0595(4) -0.3413(5) 0.0516(18) Uani 1 1 d . . .
O23 O 0.9637(5) 0.0492(4) -0.3280(4) 0.0408(15) Uani 1 1 d . . .
O24 O 0.8735(5) 0.1410(3) -0.1837(4) 0.0291(13) Uani 1 1 d . . .
O31 O 0.7631(4) 0.0054(3) -0.1249(4) 0.0270(12) Uani 1 1 d . . .
O32 O 0.7582(5) -0.0019(3) 0.0923(4) 0.0343(14) Uani 1 1 d . . .
O34 O 0.9978(4) 0.0258(3) -0.1004(4) 0.0225(11) Uani 1 1 d . . .
O41 O 0.8915(5) -0.1680(3) 0.1672(4) 0.0354(14) Uani 1 1 d . . .
O42 O 0.9988(5) -0.2471(3) 0.0305(4) 0.0400(15) Uani 1 1 d . . .
O43 O 0.8885(5) 0.1115(3) 0.0214(4) 0.0304(13) Uani 1 1 d . . .
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'
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'
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
_geom_angle_publ_flag
O12 Mo1 O11 104.2(3) . . ?
O12 Mo1 O21 102.5(3) . . ?
O11 Mo1 O21 102.0(2) . . ?
O12 Mo1 O14 93.8(2) . . ?
O11 Mo1 O14 152.9(3) . . ?
O21 Mo1 O14 93.4(2) . . ?
O12 Mo1 O31 164.1(2) . . ?
O11 Mo1 O31 91.3(2) . . ?
O21 Mo1 O31 77.1(2) . . ?
O14 Mo1 O31 70.42(19) . . ?
O12 Mo1 N1 90.5(3) . . ?
O11 Mo1 N1 82.0(3) . . ?
O21 Mo1 N1 164.8(2) . . ?
O14 Mo1 N1 77.7(2) . . ?
O31 Mo1 N1 88.2(2) . . ?
O23 Mo2 O22 104.5(3) . . ?
O23 Mo2 O24 101.7(3) . . ?
O22 Mo2 O24 99.0(3) . . ?
O23 Mo2 O21 92.6(3) . . ?
O22 Mo2 O21 100.2(3) . . ?
O24 Mo2 O21 152.3(2) . . ?
O23 Mo2 O31 160.1(2) . . ?
O22 Mo2 O31 92.6(3) . . ?
O24 Mo2 O31 85.2(2) . . ?
O21 Mo2 O31 74.2(2) . . ?
O23 Mo2 O34 91.6(2) . . ?
O22 Mo2 O34 163.5(3) . . ?
O24 Mo2 O34 73.89(19) . . ?
O21 Mo2 O34 82.21(19) . . ?
O31 Mo2 O34 72.21(17) . . ?
O32 Mo3 O43 104.3(3) . . ?
O32 Mo3 O31 102.7(2) . . ?
O43 Mo3 O31 100.3(2) . . ?
O32 Mo3 O34 102.8(2) . 3_755 ?
O43 Mo3 O34 98.3(2) . 3_755 ?
O31 Mo3 O34 143.4(2) . 3_755 ?
O32 Mo3 O14 97.6(2) . . ?
O43 Mo3 O14 158.1(2) . . ?
O31 Mo3 O14 75.6(2) . . ?
O34 Mo3 O14 75.4(2) 3_755 . ?
O32 Mo3 O34 178.3(2) . . ?
O43 Mo3 O34 77.4(2) . . ?
O31 Mo3 O34 76.67(19) . . ?
O34 Mo3 O34 77.1(2) 3_755 . ?
O14 Mo3 O34 80.74(18) . . ?
O41 Mo4 O42 105.5(3) . . ?
O41 Mo4 O24 97.4(2) . 3_755 ?
O42 Mo4 O24 104.4(2) . 3_755 ?
O41 Mo4 O14 97.2(2) . . ?
O42 Mo4 O14 101.9(2) . . ?
O24 Mo4 O14 145.1(2) 3_755 . ?
O41 Mo4 O34 95.6(2) . 3_755 ?
O42 Mo4 O34 158.7(2) . 3_755 ?
O24 Mo4 O34 74.70(19) 3_755 3_755 ?
O14 Mo4 O34 72.43(19) . 3_755 ?
O41 Mo4 O43 166.5(2) . 3_755 ?
O42 Mo4 O43 88.0(2) . 3_755 ?
O24 Mo4 O43 77.6(2) 3_755 3_755 ?
O14 Mo4 O43 80.9(2) . 3_755 ?
O34 Mo4 O43 70.98(18) 3_755 3_755 ?
C13 N1 C14 116.8(7) . . ?
C13 N1 Mo1 121.8(6) . . ?
C14 N1 Mo1 121.0(5) . . ?
C23 N2 C24 122(2) . . ?
C23 N2 H2C 119.0 . . ?
C24 N2 H2C 119.0 . . ?
C24A N2A C23A 126(2) . . ?
C24A N2A H2AC 116.8 . . ?
C23A N2A H2AC 116.8 . . ?
C33 N3 C34 122.0(8) . . ?
C33 N3 H3N 119.0 . . ?
C34 N3 H3N 119.0 . . ?
C2 C1 C2A 42.7(12) . . ?
C2 C1 C11 122.0(13) . . ?
C2A C1 C11 112.2(13) . . ?
C2 C1 H1A 108.8 . . ?
C2A C1 H1A 140.4 . . ?
C11 C1 H1A 106.7 . . ?
C2 C1 H1B 104.7 . . ?
C2A C1 H1B 68.5 . . ?
C11 C1 H1B 106.9 . . ?
H1A C1 H1B 106.7 . . ?
C1 C2 C21 113.4(17) . . ?
C1 C2 H2A 108.9 . . ?
C21 C2 H2A 108.9 . . ?
C1 C2 H2B 108.9 . . ?
C21 C2 H2B 108.9 . . ?
H2A C2 H2B 107.7 . . ?
C21A C2A C1 112(2) . . ?
C21A C2A H1B 93.8 . . ?
C1 C2A H1B 38.5 . . ?
C21A C2A H2AA 109.1 . . ?
C1 C2A H2AA 109.1 . . ?
H1B C2A H2AA 85.3 . . ?
C21A C2A H2AB 109.1 . . ?
C1 C2A H2AB 109.1 . . ?
H1B C2A H2AB 147.1 . . ?
H2AA C2A H2AB 107.9 . . ?
C3 C3 C31 112.9(9) 3_654 . ?
C3 C3 H3A 109.0 3_654 . ?
C31 C3 H3A 109.0 . . ?
C3 C3 H3B 109.0 3_654 . ?
C31 C3 H3B 109.0 . . ?
H3A C3 H3B 107.8 . . ?
C12 C11 C15 116.1(8) . . ?
C12 C11 C1 120.0(9) . . ?
C15 C11 C1 123.6(8) . . ?
C13 C12 C11 120.6(9) . . ?
C13 C12 H12A 119.7 . . ?
C11 C12 H12A 119.7 . . ?
N1 C13 C12 123.3(8) . . ?
N1 C13 H13A 118.3 . . ?
C12 C13 H13A 118.3 . . ?
N1 C14 C15 122.5(8) . . ?
N1 C14 H14A 118.8 . . ?
C15 C14 H14A 118.8 . . ?
C14 C15 C11 120.6(8) . . ?
C14 C15 H15A 119.7 . . ?
C11 C15 H15A 119.7 . . ?
C25 C21 C22 121(2) . . ?
C25 C21 C2 121(2) . . ?
C22 C21 C2 117.9(19) . . ?
C22A C21A C25A 119(2) . . ?
C22A C21A C2A 123(3) . . ?
C25A C21A C2A 117(2) . . ?
C23 C22 C21 121(2) . . ?
C23 C22 H22A 119.3 . . ?
C21 C22 H22A 119.3 . . ?
C21A C22A C23A 119(2) . . ?
C21A C22A H22B 120.3 . . ?
C23A C22A H22B 120.3 . . ?
C22 C23 N2 118(2) . . ?
C22 C23 H23A 121.0 . . ?
N2 C23 H23A 121.0 . . ?
N2A C23A C22A 115.9(19) . . ?
N2A C23A H23B 122.0 . . ?
C22A C23A H23B 122.0 . . ?
C25 C24 N2 118(2) . . ?
C25 C24 H24A 120.8 . . ?
N2 C24 H24A 120.8 . . ?
N2A C24A C25A 117(2) . . ?
N2A C24A H24B 121.3 . . ?
C25A C24A H24B 121.3 . . ?
C21 C25 C24 119(2) . . ?
C21 C25 H25A 120.6 . . ?
C24 C25 H25A 120.6 . . ?
C24A C25A C21A 121(2) . . ?
C24A C25A H25B 119.3 . . ?
C21A C25A H25B 119.3 . . ?
C35 C31 C32 115.7(8) . . ?
C35 C31 C3 122.3(7) . . ?
C32 C31 C3 121.7(8) . . ?
C33 C32 C31 120.7(9) . . ?
C33 C32 H32A 119.6 . . ?
C31 C32 H32A 119.6 . . ?
N3 C33 C32 120.9(9) . . ?
N3 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
N3 C34 C35 118.2(8) . . ?
N3 C34 H34A 120.9 . . ?
C35 C34 H34A 120.9 . . ?
C34 C35 C31 122.4(8) . . ?
C34 C35 H35A 118.8 . . ?
C31 C35 H35A 118.8 . . ?
Mo4 O14 Mo1 149.1(3) . . ?
Mo4 O14 Mo3 105.8(2) . . ?
Mo1 O14 Mo3 105.1(2) . . ?
Mo1 O21 Mo2 113.0(3) . . ?
Mo2 O24 Mo4 116.0(3) . 3_755 ?
Mo3 O31 Mo1 108.4(2) . . ?
Mo3 O31 Mo2 113.5(2) . . ?
Mo1 O31 Mo2 92.90(19) . . ?
Mo3 O34 Mo4 102.0(2) 3_755 3_755 ?
Mo3 O34 Mo2 156.9(3) 3_755 . ?
Mo4 O34 Mo2 90.16(17) 3_755 . ?
Mo3 O34 Mo3 102.9(2) 3_755 . ?
Mo4 O34 Mo3 95.44(18) 3_755 . ?
Mo2 O34 Mo3 95.26(17) . . ?
Mo3 O43 Mo4 116.2(3) . 3_755 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O12 1.689(6) . ?
Mo1 O11 1.713(5) . ?
Mo1 O21 1.895(5) . ?
Mo1 O14 2.077(5) . ?
Mo1 O31 2.232(5) . ?
Mo1 N1 2.269(6) . ?
Mo2 O23 1.696(5) . ?
Mo2 O22 1.697(6) . ?
Mo2 O24 1.899(5) . ?
Mo2 O21 2.011(6) . ?
Mo2 O31 2.262(5) . ?
Mo2 O34 2.312(5) . ?
Mo3 O32 1.698(5) . ?
Mo3 O43 1.756(5) . ?
Mo3 O31 1.897(5) . ?
Mo3 O34 1.927(5) 3_755 ?
Mo3 O14 2.148(5) . ?
Mo3 O34 2.402(5) . ?
Mo4 O41 1.702(5) . ?
Mo4 O42 1.703(6) . ?
Mo4 O24 1.922(5) 3_755 ?
Mo4 O14 1.941(5) . ?
Mo4 O34 2.262(5) 3_755 ?
Mo4 O43 2.298(5) 3_755 ?
N1 C13 1.327(10) . ?
N1 C14 1.350(10) . ?
N2 C23 1.36(3) . ?
N2 C24 1.38(3) . ?
N2 H2C 0.8600 . ?
N2A C24A 1.28(3) . ?
N2A C23A 1.36(3) . ?
N2A H2AC 0.8600 . ?
N3 C33 1.324(12) . ?
N3 C34 1.344(11) . ?
N3 H3N 0.8600 . ?
C1 C2 1.40(2) . ?
C1 C2A 1.49(3) . ?
C1 C11 1.508(12) . ?
C1 H1A 0.9702 . ?
C1 H1B 0.9699 . ?
C2 C21 1.54(3) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2A C21A 1.49(3) . ?
C2A H1B 1.4490 . ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?
C3 C3 1.499(17) 3_654 ?
C3 C31 1.506(11) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C11 C12 1.373(12) . ?
C11 C15 1.389(12) . ?
C12 C13 1.370(12) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.368(11) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C21 C25 1.34(3) . ?
C21 C22 1.38(3) . ?
C21A C22A 1.35(3) . ?
C21A C25A 1.38(3) . ?
C22 C23 1.33(3) . ?
C22 H22A 0.9300 . ?
C22A C23A 1.41(3) . ?
C22A H22B 0.9300 . ?
C23 H23A 0.9300 . ?
C23A H23B 0.9300 . ?
C24 C25 1.37(3) . ?
C24 H24A 0.9300 . ?
C24A C25A 1.35(3) . ?
C24A H24B 0.9300 . ?
C25 H25A 0.9300 . ?
C25A H25B 0.9300 . ?
C31 C35 1.382(11) . ?
C31 C32 1.406(11) . ?
C32 C33 1.339(12) . ?
C32 H32A 0.9300 . ?
C33 H33A 0.9300 . ?
C34 C35 1.364(11) . ?
C34 H34A 0.9300 . ?
C35 H35A 0.9300 . ?
O24 Mo4 1.922(5) 3_755 ?
O34 Mo3 1.927(5) 3_755 ?
O34 Mo4 2.262(5) 3_755 ?
O43 Mo4 2.298(5) 3_755 ?
