##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.4
_journal_date_recd_electronic     2019-05-31
_journal_date_accepted     2019-06-14
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2019
_journal_volume     75
_journal_issue      7
_journal_page_first     1001
_journal_page_last     1004
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989019008454
_journal_coeditor_code     HB7831
_publ_contact_author_name     'Bougar Sarr'
_publ_contact_author_address
;
Laboratoire de Chimie Minérale et Analytique
Département de Chimie, Faculté des Sciences et Techniques,
Université Cheikh Anta Diop,
Dakar, Sénégal.
;
_publ_contact_author_email     bouks89@gmail.com
_publ_contact_author_fax     '00221338246318'
_publ_contact_author_phone     '00221338250202'
_publ_section_title
;
Synthesis and crystal structure of a new hybrid organic--inorganic material
containing neutral molecules, cations and heptamolybdate anions
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Sarr, Bougar' .
;
Laboratoire de Chimie Minérale et Analytique,
Département de Chimie,
Faculté des Sciences et Téchniques,
Université Cheikh Anta Diop,
Dakar, Senegal
;
    'Mbaye, Abdou' .
;
Laboratoire de Chimie et de Physique des Matériaux (LCPM) de \
l'Université Assane Seck de Ziguinchor (UASZ),
BP 523 Ziguinchor, Senegal
;
    'Diallo, Wally' .
;
Laboratoire de Chimie Minérale et Analytique,
Département de Chimie,
Faculté des Sciences et Téchniques,
Université Cheikh Anta Diop,
Dakar, Senegal
;
    'Diop, Cheikh Abdoul Khadir' .
;
Laboratoire de Chimie Minérale et Analytique,
Département de Chimie,
Faculté des Sciences et Téchniques,
Université Cheikh Anta Diop,
Dakar, Senegal
;
    'Sidibe, Mamadou' .
;
Laboratoire de Chimie Minérale et Analytique,
Département de Chimie,
Faculté des Sciences et Téchniques,
Université Cheikh Anta Diop,
Dakar, Senegal
;
    'Michaud, Francois' .
;
Service Commun d'Analyse par Diffraction des Rayons X
Universite de Bretagne Occidentale
6, avenue Victor Le Gorgeu
CS 93837
F-29238 Brest cedex 3
France
;
_publ_section_synopsis
;
In the crystal structure of hexakis(2-methyl-1H-imidazol-3-ium)
heptamolybdate 2-methyl-1H-imidazole disolvate
dihydrate,(C₄H₇N₂)₆[Mo₇O₂₄]\\cdot2C₄H₆N₂\\cdot2H₂O,
[Mo₇O₂₄]⁶⁻ heptamolybdate anions, 2-methylimidazolium cations, neutral
2-methylimidazole molecules and water molecules are linked through hydrogen
bonds into a three-dimensional network.
;
data_I
_database_code_depnum_ccdc_archive 'CCDC 1922927'
_audit_creation_method     'WinGX routine CIF_UPDATE'
_chemical_name_systematic
;
Hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate
2-methyl-1H-imidazole disolvate dihydrate
;
_chemical_formula_moiety     '6(C4 H7 N2 +), Mo7 O24 6-, 2(C4 H6 N2), 2(H2 O)'
_chemical_formula_sum     'C32 H58 Mo7 N16 O26'
_chemical_formula_iupac     '(C4 H7 N2)6 [Mo7 O24], 2C4 H6 N2, 2H2 O'
_chemical_formula_weight     1754.52
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
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'
_cell_length_a     16.5325(2)
_cell_length_b     17.5842(2)
_cell_length_c     19.8873(2)
_cell_angle_alpha     90
_cell_angle_beta     90.6530(10)
_cell_angle_gamma     90
_cell_volume     5781.08(11)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     38522
_cell_measurement_theta_min     3.543
_cell_measurement_theta_max     37.413
_cell_measurement_temperature     170(2)
_exptl_crystal_description     'fragment of prism'
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.38
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.19
_exptl_crystal_density_diffrn     2.016
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     3456
loop_
    _exptl_crystal_face_index_h
    _exptl_crystal_face_index_k
    _exptl_crystal_face_index_l
    _exptl_crystal_face_perp_dist
    1 -1 -1 0.1
    1 0 1 0.06
    -1 0 -1 0.13
    1 -1 1 0.09
    1 0 -1 0.125
    1 1 1 0.07
    -1 -1 -1 0.18
    -1 1 1 0.21
    -1 0 1 0.135
    1 1 -3 0.145
    -1 1 -1 0.165
    5 -1 1 0.075
    0 0 1 0.14
    -1 0 0 0.12
    1 0 0 0.09
    0 -1 0 0.18
    -2 -3 4 0.125
    2 3 -1 0.145
    2 -1 -2 0.11
    0 0 -1 0.15
_exptl_absorpt_coefficient_mu     1.561
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2014)
;
_exptl_absorpt_correction_T_min     0.4761
_exptl_absorpt_correction_T_max     0.7558
_exptl_special_details     ?
_diffrn_ambient_temperature     170(2)
_diffrn_source     'Enhance (Mo) X-ray Source'
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
                                  'Agilent Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_device     'four-circle diffractometer'
_diffrn_measurement_method     'ω scans'
_diffrn_detector     'CCD plate'
_diffrn_detector_area_resol_mean     8.3622
_diffrn_reflns_number     104921
_diffrn_reflns_av_R_equivalents     0.0528
_diffrn_reflns_av_unetI/netI     0.0437
_diffrn_reflns_theta_min     3.32
_diffrn_reflns_theta_max     36.32
_diffrn_reflns_theta_full     36.32
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -24
_diffrn_reflns_limit_h_max     27
_diffrn_reflns_limit_k_min     -29
_diffrn_reflns_limit_k_max     29
_diffrn_reflns_limit_l_min     -33
_diffrn_reflns_limit_l_max     33
_diffrn_radiation_probe     x-ray
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     27993
_reflns_number_gt     21593
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0679
_refine_ls_R_factor_gt     0.0461
_refine_ls_wR_factor_gt     0.104
_refine_ls_wR_factor_ref     0.1202
_refine_ls_goodness_of_fit_ref     1.146
_refine_ls_restrained_S_all     1.145
_refine_ls_number_reflns     27993
_refine_ls_number_parameters     792
_refine_ls_number_restraints     58
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0397P)²+11.2859P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.011
_refine_ls_shift/su_mean     0
_refine_diff_density_max     1.828
_refine_diff_density_min     -2.872
_refine_ls_extinction_method     none
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 0 '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 0.006 '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'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2014)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2014)
;
_computing_structure_solution
;
SIR92 (Altomare et al.,  1992)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and
Mercury (Macrae et al.,  2008)
;
_computing_publication_material
;
WinGX (Farrugia, 2012) and PLATON (Spek, 2009)
;
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
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O1 -0.04305(13) 0.24793(14) 0.39565(12) 0.0280(4) Uani d . 1 1 . .
    O O2 0.00551(14) 0.27946(14) 0.26843(11) 0.0284(5) Uani d . 1 1 . .
    O O3 0.07596(13) 0.15830(12) 0.34241(10) 0.0230(4) Uani d . 1 1 . .
    O O4 0.07336(14) 0.12579(14) 0.48407(11) 0.0269(4) Uani d . 1 1 . .
    O O5 0.15457(15) 0.03530(13) 0.39571(12) 0.0295(5) Uani d . 1 1 . .
    O O6 0.23807(12) 0.13563(11) 0.47918(9) 0.0185(3) Uani d . 1 1 . .
    O O7 0.40034(14) 0.12283(14) 0.50582(12) 0.0284(5) Uani d . 1 1 . .
    O O8 0.33831(15) 0.04054(13) 0.40157(12) 0.0280(4) Uani d . 1 1 . .
    O O9 0.42573(14) 0.16391(13) 0.36926(12) 0.0268(4) Uani d . 1 1 . .
    O O10 0.52563(15) 0.25984(16) 0.44633(15) 0.0364(6) Uani d . 1 1 . .
    O O11 0.50709(16) 0.28585(17) 0.31122(14) 0.0393(6) Uani d . 1 1 . .
    O O12 0.41549(13) 0.37036(12) 0.40412(11) 0.0223(4) Uani d . 1 1 . .
    O O13 0.39387(13) 0.34235(15) 0.54308(11) 0.0277(4) Uani d . 1 1 . .
    O O14 0.32385(14) 0.46326(12) 0.47845(11) 0.0246(4) Uani d . 1 1 . .
    O O15 0.23109(12) 0.33656(12) 0.51719(9) 0.0197(3) Uani d . 1 1 . .
    O O16 0.06318(13) 0.33595(15) 0.52098(11) 0.0278(5) Uani d . 1 1 . .
    O O17 0.13927(14) 0.45859(13) 0.46625(11) 0.0251(4) Uani d . 1 1 . .
    O O18 0.06704(13) 0.36491(12) 0.37905(10) 0.0213(4) Uani d . 1 1 . .
    O O19 0.16800(13) 0.28094(12) 0.28601(10) 0.0227(4) Uani d . 1 1 . .
    O O20 0.24914(12) 0.16416(11) 0.35550(9) 0.0191(3) Uani d . 1 1 . .
    O O21 0.33322(14) 0.28445(13) 0.29412(11) 0.0253(4) Uani d . 1 1 . .
    O O22 0.24226(12) 0.36427(11) 0.39099(9) 0.0171(3) Uani d . 1 1 . .
    O O23 0.14447(11) 0.25197(11) 0.41666(9) 0.0164(3) Uani d . 1 1 . .
    O O24 0.33781(11) 0.25392(11) 0.42940(9) 0.0172(3) Uani d . 1 1 . .
    Mo Mo1 0.042356(14) 0.264056(14) 0.348758(11) 0.01907(5) Uani d . 1 1 . .
    Mo Mo2 0.142420(14) 0.128403(13) 0.420960(11) 0.01805(4) Uani d . 1 1 . .
    Mo Mo3 0.342279(14) 0.130828(14) 0.434127(12) 0.01888(4) Uani d . 1 1 . .
    Mo Mo4 0.454713(15) 0.269540(15) 0.383726(13) 0.02328(5) Uani d . 1 1 . .
    Mo Mo5 0.333156(14) 0.365314(13) 0.475739(11) 0.01745(4) Uani d . 1 1 . .
    Mo Mo6 0.134696(14) 0.360541(13) 0.463691(11) 0.01669(4) Uani d . 1 1 . .
    Mo Mo7 0.248954(14) 0.271359(12) 0.343147(10) 0.01554(4) Uani d . 1 1 . .
    C C1 0.2405(3) 0.0776(2) 0.1309(2) 0.0436(9) Uani d D 1 1 . .
    H H1 0.235 0.0891 0.0844 0.052 Uiso calc R 1 1 . .
    C C2 0.2374(3) 0.1281(2) 0.18283(19) 0.0366(8) Uani d D 1 1 . .
    H H2 0.2294 0.1814 0.1794 0.044 Uiso calc R 1 1 . .
    C C3 0.25571(18) 0.01393(18) 0.22512(16) 0.0243(5) Uani d D 1 1 . .
    C C4 0.2682(3) -0.0505(2) 0.2726(2) 0.0466(10) Uani d . 1 1 . .
    H H4A 0.2705 -0.031 0.3188 0.07 Uiso calc R 1 1 . .
    H H4B 0.3192 -0.0763 0.2623 0.07 Uiso calc R 1 1 . .
    H H4C 0.2233 -0.0865 0.2681 0.07 Uiso calc R 1 1 . .
    N N1 0.25288(17) 0.00771(16) 0.15858(13) 0.0265(5) Uani d D 1 1 . .
    N N2 0.24786(16) 0.08720(15) 0.24065(13) 0.0236(5) Uani d D 1 1 . .
    H H1N 0.255(2) -0.0354(12) 0.1362(13) 0.028 Uiso d D 1 1 . .
    H H2N 0.248(2) 0.1084(15) 0.2801(10) 0.028 Uiso d D 1 1 . .
    C C5 0.4466(3) 0.0710(3) 0.1457(2) 0.0472(10) Uani d D 1 1 . .
    H H5 0.4409 0.0769 0.0984 0.057 Uiso calc R 1 1 . .
    C C6 0.4432(3) 0.1273(3) 0.1927(2) 0.0429(9) Uani d D 1 1 . .
    H H6 0.4352 0.1801 0.1847 0.051 Uiso calc R 1 1 . .
    C C7 0.46291(19) 0.0184(2) 0.2452(2) 0.0338(7) Uani d D 1 1 . .
    C C8 0.4797(3) -0.0370(3) 0.3006(2) 0.0458(10) Uani d . 1 1 . .
    H H8A 0.5322 -0.0253 0.3215 0.069 Uiso calc R 1 1 . .
    H H8B 0.4807 -0.0887 0.2822 0.069 Uiso calc R 1 1 . .
    H H8C 0.4372 -0.0333 0.3344 0.069 Uiso calc R 1 1 . .
    N N3 0.45995(18) 0.00367(19) 0.18011(18) 0.0356(7) Uani d D 1 1 . .
    N N4 0.45352(17) 0.09260(18) 0.25376(18) 0.0343(6) Uani d D 1 1 . .
    H H3N 0.457(3) -0.0409(12) 0.1597(14) 0.041 Uiso d D 1 1 . .
    H H4N 0.450(3) 0.1166(16) 0.2926(10) 0.041 Uiso d D 1 1 . .
    C C9 0.4628(3) 0.5730(2) 0.3839(2) 0.0417(9) Uani d D 1 1 . .
    H H9 0.4661 0.5816 0.431 0.05 Uiso calc R 1 1 . .
    C C10 0.4672(2) 0.6261(2) 0.3346(2) 0.0389(8) Uani d D 1 1 . .
    H H10 0.4739 0.6794 0.3407 0.047 Uiso calc R 1 1 . .
    C C11 0.45236(19) 0.5147(2) 0.28609(19) 0.0308(7) Uani d D 1 1 . .
    C C12 0.4469(3) 0.4532(3) 0.2355(2) 0.0536(12) Uani d . 1 1 . .
    H H12A 0.4124 0.4697 0.1979 0.08 Uiso calc R 1 1 . .
    H H12B 0.4235 0.4077 0.2561 0.08 Uiso calc R 1 1 . .
    H H12C 0.5011 0.4413 0.219 0.08 Uiso calc R 1 1 . .
    N N5 0.45244(17) 0.50405(18) 0.35196(16) 0.0316(6) Uani d D 1 1 . .
    N N6 0.46028(17) 0.58857(17) 0.27414(16) 0.0316(6) Uani d D 1 1 . .
    H H5N 0.446(3) 0.4604(12) 0.3735(13) 0.038 Uiso d D 1 1 . .
    H H6N 0.456(3) 0.6126(15) 0.2346(10) 0.038 Uiso d D 1 1 . .
    C C13 0.4092(3) 0.3119(4) 0.0588(3) 0.0606(14) Uani d D 1 1 . .
    H H13 0.4644 0.327 0.0599 0.073 Uiso calc R 1 1 . .
    C C14 0.3540(3) 0.3234(3) 0.1070(3) 0.0549(12) Uani d D 1 1 . .
    H H14 0.363 0.3476 0.1492 0.066 Uiso calc R 1 1 . .
    C C15 0.2921(3) 0.2642(2) 0.02298(19) 0.0364(8) Uani d D 1 1 . .
    C C16 0.2296(4) 0.2267(3) -0.0190(3) 0.0564(12) Uani d . 1 1 . .
    H H16A 0.2271 0.1726 -0.0075 0.085 Uiso calc R 1 1 . .
    H H16B 0.2433 0.2323 -0.0666 0.085 Uiso calc R 1 1 . .
    H H16C 0.177 0.2503 -0.0108 0.085 Uiso calc R 1 1 . .
    N N7 0.3698(2) 0.2740(2) 0.00784(19) 0.0475(9) Uani d D 1 1 . .
    N N8 0.2818(2) 0.2935(2) 0.08359(17) 0.0398(7) Uani d D 1 1 . .
    H H7N 0.3920(18) 0.263(3) -0.0313(13) 0.048 Uiso d D 1 1 . .
    H H8N 0.2341(13) 0.301(3) 0.1029(17) 0.048 Uiso d D 1 1 . .
    C C17 0.3403(2) 0.3084(2) 0.75070(18) 0.0319(7) Uani d D 1 1 . .
    H H17 0.3787 0.2916 0.7834 0.038 Uiso calc R 1 1 . .
    C C18 0.34305(19) 0.2954(2) 0.68388(18) 0.0300(6) Uani d D 1 1 . .
    H H18 0.3836 0.2681 0.6606 0.036 Uiso calc R 1 1 . .
    C C19 0.23323(18) 0.36274(19) 0.70469(15) 0.0251(5) Uani d D 1 1 . .
    C C20 0.1568(2) 0.4053(3) 0.6948(2) 0.0404(9) Uani d . 1 1 . .
    H H20A 0.119 0.392 0.7305 0.061 Uiso calc R 1 1 . .
    H H20B 0.1328 0.392 0.651 0.061 Uiso calc R 1 1 . .
    H H20C 0.1679 0.46 0.6962 0.061 Uiso calc R 1 1 . .
    N N9 0.27156(17) 0.35055(18) 0.76280(14) 0.0292(5) Uani d D 1 1 . .
    N N10 0.27544(16) 0.32947(17) 0.65606(13) 0.0260(5) Uani d D 1 1 . .
    H H9N 0.2597(19) 0.369(2) 0.8029(10) 0.031 Uiso d D 1 1 . .
    H H10N 0.2612(19) 0.328(2) 0.6133(9) 0.031 Uiso d D 1 1 . .
    C C21 0.1295(2) 0.2036(2) 0.62572(16) 0.0294(6) Uani d D 1 1 . .
    H H21 0.0909 0.2298 0.5985 0.035 Uiso calc R 1 1 . .
    C C22 0.12795(19) 0.1954(2) 0.69351(15) 0.0289(6) Uani d D 1 1 . .
    H H22 0.0878 0.2144 0.7228 0.035 Uiso calc R 1 1 . .
    C C23 0.23697(19) 0.13713(18) 0.65689(14) 0.0241(5) Uani d D 1 1 . .
    C C24 0.3139(2) 0.0943(2) 0.6550(2) 0.0356(7) Uani d . 1 1 . .
    H H24A 0.3575 0.1257 0.6739 0.053 Uiso calc R 1 1 . .
    H H24B 0.3264 0.0813 0.6083 0.053 Uiso calc R 1 1 . .
    H H24C 0.3088 0.0476 0.6815 0.053 Uiso calc R 1 1 . .
    N N11 0.19766(16) 0.16674(17) 0.60401(12) 0.0262(5) Uani d D 1 1 . .
    N N12 0.19571(16) 0.15416(17) 0.71190(12) 0.0257(5) Uani d D 1 1 . .
    H H11N 0.2134(19) 0.164(2) 0.5621(9) 0.031 Uiso d D 1 1 . .
    H H12N 0.2122(19) 0.145(2) 0.7531(9) 0.031 Uiso d D 1 1 . .
    C C25 0.3331(3) -0.0694(3) 0.5204(2) 0.0543(12) Uani d D 1 1 . .
    H H25 0.3753 -0.0638 0.4888 0.065 Uiso calc R 1 1 . .
    C C26 0.3380(3) -0.1023(3) 0.5821(2) 0.0498(11) Uani d . 1 1 . .
    H H26 0.3853 -0.1248 0.6009 0.06 Uiso calc R 1 1 . .
    C C27 0.2140(3) -0.0632(2) 0.5699(2) 0.0439(10) Uani d D 1 1 . .
    C C28 0.1286(4) -0.0448(3) 0.5815(3) 0.0625(14) Uani d . 1 1 . .
    H H28A 0.0994 -0.0912 0.5938 0.094 Uiso calc R 1 1 . .
    H H28B 0.1046 -0.0234 0.5404 0.094 Uiso calc R 1 1 . .
    H H28C 0.1248 -0.0077 0.618 0.094 Uiso calc R 1 1 . .
    N N13 0.2543(3) -0.0461(2) 0.51329(18) 0.0523(10) Uani d D 1 1 . .
    N N14 0.2641(2) -0.0981(2) 0.61320(16) 0.0421(8) Uani d . 1 1 . .
    H H13N 0.2347(18) -0.022(3) 0.4779(15) 0.05 Uiso d D 1 1 . .
    C C29 0.1459(2) 0.5736(2) 0.59154(18) 0.0331(7) Uani d D 1 1 . .
    H H29 0.0966 0.5697 0.5669 0.04 Uiso calc R 1 1 . .
    C C30 0.1591(2) 0.6127(2) 0.64964(18) 0.0325(7) Uani d . 1 1 . .
    H H30 0.1195 0.6411 0.673 0.039 Uiso calc R 1 1 . .
    C C31 0.2732(2) 0.5611(2) 0.62385(16) 0.0289(6) Uani d D 1 1 . .
    C C32 0.3600(2) 0.5372(3) 0.6246(2) 0.0472(11) Uani d . 1 1 . .
    H H32A 0.3916 0.5723 0.6526 0.071 Uiso calc R 1 1 . .
    H H32B 0.3807 0.5378 0.5786 0.071 Uiso calc R 1 1 . .
    H H32C 0.3645 0.4856 0.643 0.071 Uiso calc R 1 1 . .
    N N15 0.21866(17) 0.54082(17) 0.57597(14) 0.0287(5) Uani d D 1 1 . .
    N N16 0.23894(17) 0.60467(18) 0.66955(14) 0.0302(6) Uani d . 1 1 . .
    H H15N 0.2266(18) 0.511(2) 0.5419(15) 0.036 Uiso d D 1 1 . .
    O O25 0.14267(16) 0.30433(19) 0.14871(12) 0.0369(6) Uani d D 1 1 . .
    H H25V 0.134(3) 0.300(3) 0.1909(10) 0.055 Uiso d D 1 1 . .
    H H25W 0.0957(17) 0.302(3) 0.130(2) 0.055 Uiso d D 1 1 . .
    O O26 0.4963(2) 0.2100(2) 0.58818(17) 0.0519(8) Uani d D 1 1 . .
    H H26V 0.482(4) 0.248(2) 0.566(3) 0.078 Uiso d D 1 1 . .
    H H26W 0.482(4) 0.172(2) 0.566(3) 0.078 Uiso d D 1 1 . .
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O1 Mo1 . 1.724(2) ?
    O2 Mo1 . 1.725(2) ?
    O3 Mo1 . 1.945(2) ?
    O3 Mo2 . 1.971(2) ?
    O4 Mo2 . 1.707(2) ?
    O5 Mo2 . 1.725(2) ?
    O6 Mo3 . 1.9528(19) ?
    O6 Mo2 . 1.953(2) ?
    O7 Mo3 . 1.715(2) ?
    O8 Mo3 . 1.716(2) ?
    O9 Mo4 . 1.939(2) ?
    O9 Mo3 . 1.987(2) ?
    O10 Mo4 . 1.709(3) ?
    O11 Mo4 . 1.715(2) ?
    O12 Mo4 . 1.932(2) ?
    O12 Mo5 . 1.983(2) ?
    O13 Mo5 . 1.713(2) ?
    O14 Mo5 . 1.730(2) ?
    O15 Mo6 . 1.9521(19) ?
    O15 Mo5 . 1.953(2) ?
    O16 Mo6 . 1.707(2) ?
    O17 Mo6 . 1.726(2) ?
    O18 Mo1 . 1.916(2) ?
    O18 Mo6 . 2.012(2) ?
    O19 Mo7 . 1.754(2) ?
    O19 Mo1 . 2.453(2) ?
    O20 Mo7 . 1.901(2) ?
    O20 Mo3 . 2.259(2) ?
    O20 Mo2 . 2.292(2) ?
    O21 Mo7 . 1.725(2) ?
    O22 Mo7 . 1.8945(19) ?
    O22 Mo5 . 2.2453(19) ?
    O22 Mo6 . 2.3057(19) ?
    O23 Mo6 . 2.1329(19) ?
    O23 Mo1 . 2.1604(19) ?
    O23 Mo2 . 2.1748(19) ?
    O23 Mo7 . 2.3011(18) ?
    O24 Mo4 . 2.1624(19) ?
    O24 Mo5 . 2.1665(19) ?
    O24 Mo3 . 2.1677(19) ?
    O24 Mo7 . 2.2665(19) ?
    Mo1 Mo6 . 3.2178(3) ?
    Mo4 Mo5 . 3.2105(3) ?
    C1 C2 . 1.362(5) ?
    C1 N1 . 1.362(5) ?
    C1 H1 . 0.95 ?
    C2 N2 . 1.365(5) ?
    C2 H2 . 0.95 ?
    C3 N1 . 1.328(4) ?
    C3 N2 . 1.332(4) ?
    C3 C4 . 1.488(5) ?
    C4 H4A . 0.98 ?
    C4 H4B . 0.98 ?
    C4 H4C . 0.98 ?
    N1 H1N . 0.881(17) ?
    N2 H2N . 0.868(17) ?
    C5 C6 . 1.363(6) ?
    C5 N3 . 1.384(6) ?
    C5 H5 . 0.95 ?
    C6 N4 . 1.367(6) ?
    C6 H6 . 0.95 ?
    C7 N3 . 1.321(5) ?
    C7 N4 . 1.325(5) ?
    C7 C8 . 1.493(6) ?
    C8 H8A . 0.98 ?
    C8 H8B . 0.98 ?
    C8 H8C . 0.98 ?
    N3 H3N . 0.884(17) ?
    N4 H4N . 0.884(17) ?
    C9 C10 . 1.357(6) ?
    C9 N5 . 1.378(5) ?
    C9 H9 . 0.95 ?
    C10 N6 . 1.375(5) ?
    C10 H10 . 0.95 ?
    C11 N5 . 1.323(5) ?
    C11 N6 . 1.328(4) ?
    C11 C12 . 1.479(6) ?
    C12 H12A . 0.98 ?
    C12 H12B . 0.98 ?
    C12 H12C . 0.98 ?
    N5 H5N . 0.886(17) ?
    N6 H6N . 0.895(17) ?
    C13 C14 . 1.347(7) ?
    C13 N7 . 1.372(7) ?
    C13 H13 . 0.95 ?
    C14 N8 . 1.379(6) ?
    C14 H14 . 0.95 ?
    C15 N8 . 1.324(5) ?
    C15 N7 . 1.333(5) ?
    C15 C16 . 1.476(6) ?
    C16 H16A . 0.98 ?
    C16 H16B . 0.98 ?
    C16 H16C . 0.98 ?
    N7 H7N . 0.887(17) ?
    N8 H8N . 0.893(17) ?
    C17 C18 . 1.350(5) ?
    C17 N9 . 1.380(4) ?
    C17 H17 . 0.95 ?
    C18 N10 . 1.379(4) ?
    C18 H18 . 0.95 ?
    C19 N9 . 1.329(4) ?
    C19 N10 . 1.334(4) ?
    C19 C20 . 1.480(5) ?
    C20 H20A . 0.98 ?
    C20 H20B . 0.98 ?
    C20 H20C . 0.98 ?
    N9 H9N . 0.886(17) ?
    N10 H10N . 0.880(17) ?
    C21 C22 . 1.356(4) ?
    C21 N11 . 1.374(4) ?
    C21 H21 . 0.95 ?
    C22 N12 . 1.380(4) ?
    C22 H22 . 0.95 ?
    C23 N12 . 1.330(4) ?
    C23 N11 . 1.336(4) ?
    C23 C24 . 1.479(5) ?
    C24 H24A . 0.98 ?
    C24 H24B . 0.98 ?
    C24 H24C . 0.98 ?
    N11 H11N . 0.877(17) ?
    N12 H12N . 0.876(17) ?
    C25 C26 . 1.357(6) ?
    C25 N13 . 1.371(7) ?
    C25 H25 . 0.95 ?
    C26 N14 . 1.377(6) ?
    C26 H26 . 0.95 ?
    C27 N14 . 1.338(6) ?
    C27 N13 . 1.348(6) ?
    C27 C28 . 1.470(8) ?
    C28 H28A . 0.98 ?
    C28 H28B . 0.98 ?
    C28 H28C . 0.98 ?
    N13 H13N . 0.880(19) ?
    C29 C30 . 1.360(5) ?
    C29 N15 . 1.372(4) ?
    C29 H29 . 0.95 ?
    C30 N16 . 1.380(4) ?
    C30 H30 . 0.95 ?
    C31 N16 . 1.321(4) ?
    C31 N15 . 1.352(4) ?
    C31 C32 . 1.495(5) ?
    C32 H32A . 0.98 ?
    C32 H32B . 0.98 ?
    C32 H32C . 0.98 ?
    N15 H15N . 0.867(19) ?
    O25 H25V . 0.857(19) ?
    O25 H25W . 0.856(18) ?
    O26 H26V . 0.842(19) ?
    O26 H26W . 0.843(19) ?
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
    _geom_angle_publ_flag
    Mo1 O3 Mo2 . . 111.13(10) ?
    Mo3 O6 Mo2 . . 115.96(9) ?
    Mo4 O9 Mo3 . . 110.89(11) ?
    Mo4 O12 Mo5 . . 110.14(10) ?
    Mo6 O15 Mo5 . . 114.70(9) ?
    Mo1 O18 Mo6 . . 110.01(10) ?
    Mo7 O19 Mo1 . . 107.64(9) ?
    Mo7 O20 Mo3 . . 110.29(9) ?
    Mo7 O20 Mo2 . . 110.20(9) ?
    Mo3 O20 Mo2 . . 93.36(7) ?
    Mo7 O22 Mo5 . . 109.98(9) ?
    Mo7 O22 Mo6 . . 109.89(9) ?
    Mo5 O22 Mo6 . . 92.51(7) ?
    Mo6 O23 Mo1 . . 97.09(8) ?
    Mo6 O23 Mo2 . . 151.14(9) ?
    Mo1 O23 Mo2 . . 96.34(7) ?
    Mo6 O23 Mo7 . . 101.96(8) ?
    Mo1 O23 Mo7 . . 100.09(7) ?
    Mo2 O23 Mo7 . . 100.67(7) ?
    Mo4 O24 Mo5 . . 95.74(8) ?
    Mo4 O24 Mo3 . . 96.60(8) ?
    Mo5 O24 Mo3 . . 152.34(9) ?
    Mo4 O24 Mo7 . . 103.86(7) ?
    Mo5 O24 Mo7 . . 100.00(8) ?
    Mo3 O24 Mo7 . . 100.92(8) ?
    O1 Mo1 O2 . . 104.12(11) ?
    O1 Mo1 O18 . . 98.92(11) ?
    O2 Mo1 O18 . . 102.57(10) ?
    O1 Mo1 O3 . . 96.55(11) ?
    O2 Mo1 O3 . . 100.84(10) ?
    O18 Mo1 O3 . . 147.73(9) ?
    O1 Mo1 O23 . . 106.54(9) ?
    O2 Mo1 O23 . . 149.29(10) ?
    O18 Mo1 O23 . . 74.47(8) ?
    O3 Mo1 O23 . . 74.03(8) ?
    O1 Mo1 O19 . . 176.53(9) ?
    O2 Mo1 O19 . . 78.58(10) ?
    O18 Mo1 O19 . . 82.49(8) ?
    O3 Mo1 O19 . . 80.71(8) ?
    O23 Mo1 O19 . . 70.72(7) ?
    O1 Mo1 Mo6 . . 95.01(8) ?
    O2 Mo1 Mo6 . . 137.30(8) ?
    O18 Mo1 Mo6 . . 35.98(6) ?
    O3 Mo1 Mo6 . . 114.62(6) ?
    O23 Mo1 Mo6 . . 41.13(5) ?
    O19 Mo1 Mo6 . . 84.26(5) ?
    O4 Mo2 O5 . . 105.64(12) ?
    O4 Mo2 O6 . . 96.30(9) ?
    O5 Mo2 O6 . . 97.94(10) ?
    O4 Mo2 O3 . . 102.62(10) ?
    O5 Mo2 O3 . . 95.05(10) ?
    O6 Mo2 O3 . . 153.21(8) ?
    O4 Mo2 O23 . . 93.82(10) ?
    O5 Mo2 O23 . . 159.22(10) ?
    O6 Mo2 O23 . . 86.87(8) ?
    O3 Mo2 O23 . . 73.22(8) ?
    O4 Mo2 O20 . . 161.90(10) ?
    O5 Mo2 O20 . . 90.12(10) ?
    O6 Mo2 O20 . . 72.28(7) ?
    O3 Mo2 O20 . . 84.40(8) ?
    O23 Mo2 O20 . . 72.01(7) ?
    O8 Mo3 O7 . . 104.86(12) ?
    O8 Mo3 O6 . . 100.55(10) ?
    O7 Mo3 O6 . . 96.34(10) ?
    O8 Mo3 O9 . . 92.85(10) ?
    O7 Mo3 O9 . . 100.23(11) ?
    O6 Mo3 O9 . . 155.25(9) ?
    O8 Mo3 O24 . . 155.03(9) ?
    O7 Mo3 O24 . . 97.84(10) ?
    O6 Mo3 O24 . . 86.96(8) ?
    O9 Mo3 O24 . . 72.72(8) ?
    O8 Mo3 O20 . . 87.48(10) ?
    O7 Mo3 O20 . . 165.23(10) ?
    O6 Mo3 O20 . . 73.05(7) ?
    O9 Mo3 O20 . . 86.99(9) ?
    O24 Mo3 O20 . . 71.84(7) ?
    O10 Mo4 O11 . . 106.30(14) ?
    O10 Mo4 O12 . . 99.66(12) ?
    O11 Mo4 O12 . . 101.36(12) ?
    O10 Mo4 O9 . . 100.30(12) ?
    O11 Mo4 O9 . . 99.31(12) ?
    O12 Mo4 O9 . . 145.80(9) ?
    O10 Mo4 O24 . . 106.87(10) ?
    O11 Mo4 O24 . . 146.81(11) ?
    O12 Mo4 O24 . . 74.02(8) ?
    O9 Mo4 O24 . . 73.74(8) ?
    O10 Mo4 Mo5 . . 93.77(10) ?
    O11 Mo4 Mo5 . . 135.81(10) ?
    O12 Mo4 Mo5 . . 35.45(6) ?
    O9 Mo4 Mo5 . . 115.58(6) ?
    O24 Mo4 Mo5 . . 42.18(5) ?
    O13 Mo5 O14 . . 105.18(11) ?
    O13 Mo5 O15 . . 96.34(10) ?
    O14 Mo5 O15 . . 99.61(10) ?
    O13 Mo5 O12 . . 99.85(10) ?
    O14 Mo5 O12 . . 92.28(10) ?
    O15 Mo5 O12 . . 156.65(9) ?
    O13 Mo5 O24 . . 95.51(10) ?
    O14 Mo5 O24 . . 156.48(9) ?
    O15 Mo5 O24 . . 88.88(8) ?
    O12 Mo5 O24 . . 72.96(8) ?
    O13 Mo5 O22 . . 165.08(10) ?
    O14 Mo5 O22 . . 88.42(9) ?
    O15 Mo5 O22 . . 74.97(7) ?
    O12 Mo5 O22 . . 85.42(8) ?
    O24 Mo5 O22 . . 72.54(7) ?
    O13 Mo5 Mo4 . . 87.53(8) ?
    O14 Mo5 Mo4 . . 126.61(8) ?
    O15 Mo5 Mo4 . . 130.86(6) ?
    O12 Mo5 Mo4 . . 34.41(6) ?
    O24 Mo5 Mo4 . . 42.08(5) ?
    O22 Mo5 Mo4 . . 89.18(5) ?
    O16 Mo6 O17 . . 105.29(12) ?
    O16 Mo6 O15 . . 98.56(10) ?
    O17 Mo6 O15 . . 99.46(10) ?
    O16 Mo6 O18 . . 100.69(10) ?
    O17 Mo6 O18 . . 90.59(9) ?
    O15 Mo6 O18 . . 155.08(8) ?
    O16 Mo6 O23 . . 97.03(10) ?
    O17 Mo6 O23 . . 154.60(9) ?
    O15 Mo6 O23 . . 88.86(8) ?
    O18 Mo6 O23 . . 73.23(8) ?
    O16 Mo6 O22 . . 166.13(10) ?
    O17 Mo6 O22 . . 87.49(9) ?
    O15 Mo6 O22 . . 73.58(7) ?
    O18 Mo6 O22 . . 84.24(8) ?
    O23 Mo6 O22 . . 71.80(7) ?
    O16 Mo6 Mo1 . . 90.80(8) ?
    O17 Mo6 Mo1 . . 124.59(7) ?
    O15 Mo6 Mo1 . . 130.62(6) ?
    O18 Mo6 Mo1 . . 34.01(6) ?
    O23 Mo6 Mo1 . . 41.78(5) ?
    O22 Mo6 Mo1 . . 86.14(5) ?
    O21 Mo7 O19 . . 103.66(11) ?
    O21 Mo7 O22 . . 102.76(10) ?
    O19 Mo7 O22 . . 101.19(9) ?
    O21 Mo7 O20 . . 101.84(10) ?
    O19 Mo7 O20 . . 100.32(9) ?
    O22 Mo7 O20 . . 142.21(8) ?
    O21 Mo7 O24 . . 85.71(9) ?
    O19 Mo7 O24 . . 170.59(8) ?
    O22 Mo7 O24 . . 77.15(8) ?
    O20 Mo7 O24 . . 76.58(8) ?
    O21 Mo7 O23 . . 174.78(9) ?
    O19 Mo7 O23 . . 81.55(8) ?
    O22 Mo7 O23 . . 76.12(8) ?
    O20 Mo7 O23 . . 76.77(8) ?
    O24 Mo7 O23 . . 89.07(6) ?
    C2 C1 N1 . . 106.8(3) ?
    C2 C1 H1 . . 126.6 ?
    N1 C1 H1 . . 126.6 ?
    C1 C2 N2 . . 106.9(3) ?
    C1 C2 H2 . . 126.6 ?
    N2 C2 H2 . . 126.6 ?
    N1 C3 N2 . . 108.0(3) ?
    N1 C3 C4 . . 125.0(3) ?
    N2 C3 C4 . . 127.0(3) ?
    C3 C4 H4A . . 109.5 ?
    C3 C4 H4B . . 109.5 ?
    H4A C4 H4B . . 109.5 ?
    C3 C4 H4C . . 109.5 ?
    H4A C4 H4C . . 109.5 ?
    H4B C4 H4C . . 109.5 ?
    C3 N1 C1 . . 109.4(3) ?
    C3 N1 H1N . . 125.1(19) ?
    C1 N1 H1N . . 125.4(19) ?
    C3 N2 C2 . . 109.0(3) ?
    C3 N2 H2N . . 128.7(19) ?
    C2 N2 H2N . . 122.3(19) ?
    C6 C5 N3 . . 106.9(4) ?
    C6 C5 H5 . . 126.6 ?
    N3 C5 H5 . . 126.6 ?
    C5 C6 N4 . . 106.2(4) ?
    C5 C6 H6 . . 126.9 ?
    N4 C6 H6 . . 126.9 ?
    N3 C7 N4 . . 108.4(4) ?
    N3 C7 C8 . . 126.8(4) ?
    N4 C7 C8 . . 124.7(4) ?
    C7 C8 H8A . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 109.5 ?
    C7 C8 H8C . . 109.5 ?
    H8A C8 H8C . . 109.5 ?
    H8B C8 H8C . . 109.5 ?
    C7 N3 C5 . . 108.7(3) ?
    C7 N3 H3N . . 129(2) ?
    C5 N3 H3N . . 122(2) ?
    C7 N4 C6 . . 109.9(3) ?
    C7 N4 H4N . . 126(2) ?
    C6 N4 H4N . . 124(2) ?
    C10 C9 N5 . . 106.3(4) ?
    C10 C9 H9 . . 126.9 ?
    N5 C9 H9 . . 126.9 ?
    C9 C10 N6 . . 107.2(4) ?
    C9 C10 H10 . . 126.4 ?
    N6 C10 H10 . . 126.4 ?
    N5 C11 N6 . . 108.4(3) ?
    N5 C11 C12 . . 124.7(3) ?
    N6 C11 C12 . . 126.8(4) ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C11 N5 C9 . . 109.3(3) ?
    C11 N5 H5N . . 127.0(19) ?
    C9 N5 H5N . . 123.7(19) ?
    C11 N6 C10 . . 108.7(3) ?
    C11 N6 H6N . . 127.8(19) ?
    C10 N6 H6N . . 123.1(19) ?
    C14 C13 N7 . . 106.2(4) ?
    C14 C13 H13 . . 126.9 ?
    N7 C13 H13 . . 126.9 ?
    C13 C14 N8 . . 107.0(4) ?
    C13 C14 H14 . . 126.5 ?
    N8 C14 H14 . . 126.5 ?
    N8 C15 N7 . . 106.8(4) ?
    N8 C15 C16 . . 126.4(4) ?
    N7 C15 C16 . . 126.8(4) ?
    C15 C16 H16A . . 109.5 ?
    C15 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    C15 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    C15 N7 C13 . . 110.3(4) ?
    C15 N7 H7N . . 125(2) ?
    C13 N7 H7N . . 124(2) ?
    C15 N8 C14 . . 109.7(4) ?
    C15 N8 H8N . . 125(2) ?
    C14 N8 H8N . . 124(2) ?
    C18 C17 N9 . . 107.4(3) ?
    C18 C17 H17 . . 126.3 ?
    N9 C17 H17 . . 126.3 ?
    C17 C18 N10 . . 106.6(3) ?
    C17 C18 H18 . . 126.7 ?
    N10 C18 H18 . . 126.7 ?
    N9 C19 N10 . . 108.1(3) ?
    N9 C19 C20 . . 126.5(3) ?
    N10 C19 C20 . . 125.3(3) ?
    C19 C20 H20A . . 109.5 ?
    C19 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    C19 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    C19 N9 C17 . . 108.7(3) ?
    C19 N9 H9N . . 128.0(19) ?
    C17 N9 H9N . . 123.0(19) ?
    C19 N10 C18 . . 109.2(3) ?
    C19 N10 H10N . . 125.4(19) ?
    C18 N10 H10N . . 125.4(19) ?
    C22 C21 N11 . . 106.6(3) ?
    C22 C21 H21 . . 126.7 ?
    N11 C21 H21 . . 126.7 ?
    C21 C22 N12 . . 107.2(3) ?
    C21 C22 H22 . . 126.4 ?
    N12 C22 H22 . . 126.4 ?
    N12 C23 N11 . . 108.1(3) ?
    N12 C23 C24 . . 125.8(3) ?
    N11 C23 C24 . . 126.1(3) ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C23 N11 C21 . . 109.3(2) ?
    C23 N11 H11N . . 125.3(18) ?
    C21 N11 H11N . . 125.4(18) ?
    C23 N12 C22 . . 108.8(2) ?
    C23 N12 H12N . . 124.9(19) ?
    C22 N12 H12N . . 125.9(19) ?
    C26 C25 N13 . . 105.5(4) ?
    C26 C25 H25 . . 127.2 ?
    N13 C25 H25 . . 127.2 ?
    C25 C26 N14 . . 109.8(5) ?
    C25 C26 H26 . . 125.1 ?
    N14 C26 H26 . . 125.1 ?
    N14 C27 N13 . . 109.4(4) ?
    N14 C27 C28 . . 126.1(4) ?
    N13 C27 C28 . . 124.5(4) ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    C27 N13 C25 . . 108.9(4) ?
    C27 N13 H13N . . 126(2) ?
    C25 N13 H13N . . 125(2) ?
    C27 N14 C26 . . 106.3(4) ?
    C30 C29 N15 . . 105.7(3) ?
    C30 C29 H29 . . 127.1 ?
    N15 C29 H29 . . 127.1 ?
    C29 C30 N16 . . 109.6(3) ?
    C29 C30 H30 . . 125.2 ?
    N16 C30 H30 . . 125.2 ?
    N16 C31 N15 . . 110.4(3) ?
    N16 C31 C32 . . 125.2(3) ?
    N15 C31 C32 . . 124.4(3) ?
    C31 C32 H32A . . 109.5 ?
    C31 C32 H32B . . 109.5 ?
    H32A C32 H32B . . 109.5 ?
    C31 C32 H32C . . 109.5 ?
    H32A C32 H32C . . 109.5 ?
    H32B C32 H32C . . 109.5 ?
    C31 N15 C29 . . 108.1(3) ?
    C31 N15 H15N . . 127.1(19) ?
    C29 N15 H15N . . 124.8(19) ?
    C31 N16 C30 . . 106.1(3) ?
    H25V O25 H25W . . 105(3) ?
    H26V O26 H26W . . 107(4) ?
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
    N1 H1N O22 2_545 0.88(2) 1.85(2) 2.710(3) 167(2)
    N2 H2N O20 1_555 0.87(2) 1.79(2) 2.655(3) 172(2)
    N3 H3N O18 2_545 0.88(2) 1.87(2) 2.743(4) 171(5)
    N4 H4N O9 1_555 0.88(2) 1.79(2) 2.662(4) 171(5)
    N5 H5N O12 1_555 0.89(2) 1.77(3) 2.644(4) 168(4)
    N6 H6N O3 2_555 0.90(2) 1.80(3) 2.684(4) 168(5)
    N7 H7N O1 4_665 0.89(3) 1.83(3) 2.697(4) 167(3)
    N8 H8N O25 1_555 0.89(3) 1.78(3) 2.659(4) 172(5)
    N9 H9N N14 2_556 0.89(2) 1.81(2) 2.698(4) 177(3)
    N10 H10N O15 1_555 0.880(19) 1.975(19) 2.852(3) 174(3)
    N11 H11N O6 1_555 0.88(2) 1.78(2) 2.636(3) 166(3)
    N12 H12N N16 2_546 0.88(2) 1.87(2) 2.725(4) 165(3)
    N13 H13N O5 1_555 0.88(4) 2.32(4) 3.186(5) 167(3)
    N13 H13N O8 1_555 0.88(4) 2.55(4) 3.043(5) 116(2)
    N15 H15N O14 1_555 0.87(3) 2.22(3) 2.953(4) 142(3)
    N15 H15N O17 1_555 0.87(3) 2.27(3) 2.917(4) 132(3)
    O25 H25V O19 1_555 0.86(2) 2.00(2) 2.788(3) 154(5)
    O25 H25W O26 4_565 0.86(3) 1.85(3) 2.702(4) 176(5)
    O26 H26V O10 1_555 0.83(4) 2.50(6) 2.999(4) 119(5)
    O26 H26V O13 1_555 0.83(4) 2.25(5) 3.009(4) 151(6)
    O26 H26W O7 1_555 0.83(4) 1.99(6) 2.737(4) 149(6)
    C4 H4A O8 1_555 0.98 2.35 3.228(5) 149
    C8 H8B O2 2_545 0.98 2.54 3.517(6) 176
    C8 H8C O8 1_555 0.98 2.49 3.386(5) 152
    C10 H10 O26 3_666 0.95 2.45 3.318(5) 151
    C12 H12A O5 2_555 0.98 2.44 3.407(5) 167
    C13 H13 O4 4_665 0.95 2.50 3.297(6) 141
    C17 H17 O2 4_666 0.95 2.46 3.154(4) 130
    C18 H18 O26 1_555 0.95 2.58 3.522(5) 172
    C21 H21 O16 1_555 0.95 2.46 3.302(4) 147
    C22 H22 O11 4_566 0.95 2.22 3.113(4) 156
    C24 H24B O7 1_555 0.98 2.50 3.346(5) 145
    C25 H25 O8 1_555 0.95 2.59 3.055(5) 110
    C32 H32B O14 1_555 0.98 2.55 3.234(5) 126
