#------------------------------------------------------------------------------
#$Date: 2019-11-24 00:18:03 +0200 (Sun, 24 Nov 2019) $
#$Revision: 235730 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/96/4349666.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_4349666
loop_
_publ_author_name
'Lin, Chang-Gen'
'Fura, Gizaw D.'
'Long, Yong'
'Xuan, Weimin'
'Song, Yu-Fei'
_publ_section_title
;
 Polyoxometalate-based supramolecular hydrogels constructed through
 host--guest interactions
;
_journal_issue                   5
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              789
_journal_paper_doi               10.1039/C7QI00030H
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C78 H150 Mn Mo6 N5 O28'
_chemical_formula_weight         2235.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-28 deposited with the CCDC.
2017-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 126.024(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   34.9964(17)
_cell_length_b                   14.5543(6)
_cell_length_c                   23.6151(8)
_cell_measurement_reflns_used    9684
_cell_measurement_temperature    180.01(10)
_cell_measurement_theta_max      73.6940
_cell_measurement_theta_min      3.8100
_cell_volume                     9728.1(8)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    Diamond3
_computing_publication_material  Wingx
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      180.01(10)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            18651
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         73.861
_diffrn_reflns_theta_min         3.573
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    7.758
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44677
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       block
_exptl_crystal_F_000             4614
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_refine_diff_density_max         3.476
_refine_diff_density_min         -1.845
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         9414
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1453
_refine_ls_R_factor_gt           0.1142
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1522P)²+267.6384P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2961
_refine_ls_wR_factor_ref         0.3255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6628
_reflns_number_total             9414
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7qi00030h2.cif
_cod_data_source_block           shelx
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4349666
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.432
_shelx_estimated_absorpt_t_max   0.542
loop_
_space_group_symop_operation_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_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8146(5) 0.1185(9) 0.0062(7) 0.051(3) Uani 1 1 d . . . . .
H1A H 0.8487 0.1243 0.0377 0.061 Uiso 1 1 calc R U . . .
H1B H 0.8070 0.0816 -0.0335 0.061 Uiso 1 1 calc R U . . .
C2 C 0.8117(5) 0.1217(9) 0.1118(6) 0.047(3) Uani 1 1 d . . . . .
H2A H 0.8020 0.0860 0.1361 0.056 Uiso 1 1 calc R U . . .
H2B H 0.8458 0.1270 0.1426 0.056 Uiso 1 1 calc R U . . .
C3 C 0.7972(5) 0.0688(8) 0.0443(7) 0.050(3) Uani 1 1 d . . . . .
C4 C 0.8630(6) -0.0474(12) 0.0976(9) 0.070(4) Uani 1 1 d . . . . .
C6' C 0.8460(12) -0.1973(18) 0.0295(15) 0.086(8) Uani 0.667(17) 1 d . U P A 1
C8' C 0.8411(15) -0.344(2) 0.083(2) 0.106(11) Uani 0.667(17) 1 d . U P A 1
C10' C 0.916(2) -0.325(2) 0.191(3) 0.136(9) Uani 0.667(17) 1 d . U P A 1
C12' C 0.9261(11) -0.173(2) 0.1447(19) 0.096(9) Uani 0.667(17) 1 d . U P A 1
C13' C 0.8515(17) -0.198(2) 0.141(2) 0.122(9) Uani 0.667(17) 1 d . U P A 1
C14' C 0.9063(16) -0.326(3) 0.078(2) 0.110(8) Uani 0.667(17) 1 d . U P A 1
C5 C 0.8736(7) -0.1514(12) 0.1073(10) 0.076(5) Uani 1 1 d D . . A 2
C6 C 0.901(2) -0.167(3) 0.075(3) 0.082(9) Uani 0.333(17) 1 d D U P A 2
H6A H 0.8830 -0.1458 0.0271 0.098 Uiso 0.333(17) 1 calc R U P A 2
H6B H 0.9310 -0.1330 0.1019 0.098 Uiso 0.333(17) 1 calc R U P A 2
C7 C 0.8597(10) -0.3091(18) 0.0434(15) 0.121(7) Uani 1 1 d D U . A 2
H7A H 0.8399 -0.2764 -0.0007 0.145 Uiso 1 1 calc R U . A 2
H7B H 0.8603 -0.3726 0.0316 0.145 Uiso 1 1 calc R U . A 2
C8 C 0.8330(15) -0.308(3) 0.0772(18) 0.109(13) Uani 0.333(17) 1 d D U P A 2
H8 H 0.8052 -0.3475 0.0569 0.131 Uiso 0.333(17) 1 calc R U P A 2
C9 C 0.8688(11) -0.3051(16) 0.1578(16) 0.135(8) Uani 1 1 d D U . A 2
H9A H 0.8725 -0.3684 0.1732 0.162 Uiso 1 1 calc R U . A 2
H9B H 0.8528 -0.2736 0.1745 0.162 Uiso 1 1 calc R U . A 2
C10 C 0.9199(15) -0.264(3) 0.201(3) 0.138(12) Uani 0.333(17) 1 d D U P A 2
H10 H 0.9401 -0.2819 0.2501 0.166 Uiso 0.333(17) 1 calc R U P A 2
C11 C 0.9414(14) -0.2813(18) 0.1599(18) 0.157(13) Uani 1 1 d D . . A 2
H11A H 0.9680 -0.2398 0.1789 0.189 Uiso 1 1 calc R U . A 2
H11B H 0.9542 -0.3432 0.1710 0.189 Uiso 1 1 calc R U . A 2
C12 C 0.9140(18) -0.159(3) 0.1872(16) 0.096(11) Uani 0.333(17) 1 d D U P A 2
H12A H 0.9430 -0.1317 0.1984 0.115 Uiso 0.333(17) 1 calc R U P A 2
H12B H 0.9053 -0.1294 0.2148 0.115 Uiso 0.333(17) 1 calc R U P A 2
C13 C 0.8253(10) -0.202(2) 0.069(2) 0.117(10) Uani 0.333(17) 1 d D U P A 2
H13A H 0.8061 -0.1858 0.0197 0.140 Uiso 0.333(17) 1 calc R U P A 2
H13B H 0.8087 -0.1825 0.0884 0.140 Uiso 0.333(17) 1 calc R U P A 2
C14 C 0.9107(12) -0.271(3) 0.079(2) 0.108(11) Uani 0.333(17) 1 d D U P A 2
H14 H 0.9261 -0.2912 0.0578 0.130 Uiso 0.333(17) 1 calc R U P A 2
C15 C 0.7441(5) 0.0480(8) -0.0034(8) 0.053(3) Uani 1 1 d . . . . .
H15A H 0.7376 0.0104 -0.0420 0.064 Uiso 1 1 calc R U . . .
H15B H 0.7362 0.0119 0.0229 0.064 Uiso 1 1 calc R U . . .
C16 C 0.7996(6) 0.4804(12) 0.3443(9) 0.070(4) Uani 1 1 d . . . . .
H16A H 0.8182 0.4782 0.3950 0.085 Uiso 1 1 calc R U . . .
H16B H 0.7771 0.5302 0.3286 0.085 Uiso 1 1 calc R U . . .
C17 C 0.7727(8) 0.3922(13) 0.3158(12) 0.090(6) Uani 1 1 d . . . . .
H17A H 0.7936 0.3407 0.3413 0.107 Uiso 1 1 calc R U . . .
H17B H 0.7603 0.3859 0.2669 0.107 Uiso 1 1 calc R U . . .
C18 C 0.7324(7) 0.3919(14) 0.3231(12) 0.088(6) Uani 1 1 d . . . . .
H18A H 0.7230 0.3289 0.3220 0.105 Uiso 1 1 calc R U . . .
H18B H 0.7435 0.4179 0.3681 0.105 Uiso 1 1 calc R U . . .
C19 C 0.6909(8) 0.4447(18) 0.2670(12) 0.108(8) Uani 1 1 d . . . . .
H19A H 0.6665 0.4424 0.2739 0.161 Uiso 1 1 calc R U . . .
H19B H 0.6999 0.5075 0.2684 0.161 Uiso 1 1 calc R U . . .
H19C H 0.6794 0.4185 0.2223 0.161 Uiso 1 1 calc R U . . .
C20 C 0.8048(7) 0.5257(13) 0.2462(9) 0.079(5) Uani 1 1 d . . . . .
H20A H 0.7826 0.4763 0.2195 0.095 Uiso 1 1 calc R U . . .
H20B H 0.8265 0.5284 0.2334 0.095 Uiso 1 1 calc R U . . .
C21 C 0.7772(7) 0.6175(13) 0.2251(10) 0.084(5) Uani 1 1 d . . . . .
H21A H 0.7611 0.6226 0.2473 0.101 Uiso 1 1 calc R U . . .
H21B H 0.7988 0.6688 0.2404 0.101 Uiso 1 1 calc R U . . .
C22 C 0.7417(9) 0.6195(15) 0.1468(13) 0.105(7) Uani 1 1 d . . . . .
H22A H 0.7561 0.5967 0.1249 0.126 Uiso 1 1 calc R U . . .
H22B H 0.7314 0.6822 0.1313 0.126 Uiso 1 1 calc R U . . .
C23 C 0.6996(10) 0.560(2) 0.1256(14) 0.140(11) Uani 1 1 d . . . . .
H23A H 0.6770 0.5618 0.0756 0.210 Uiso 1 1 calc R U . . .
H23B H 0.7099 0.4984 0.1407 0.210 Uiso 1 1 calc R U . . .
H23C H 0.6853 0.5837 0.1471 0.210 Uiso 1 1 calc R U . . .
C24 C 0.8625(7) 0.4184(14) 0.3350(9) 0.079(5) Uani 1 1 d . . . . .
H24A H 0.8417 0.3677 0.3075 0.095 Uiso 1 1 calc R U . . .
H24B H 0.8813 0.4322 0.3180 0.095 Uiso 1 1 calc R U . . .
C25 C 0.8946(9) 0.390(2) 0.4096(11) 0.114(8) Uani 1 1 d . . . . .
H25A H 0.8763 0.3797 0.4279 0.137 Uiso 1 1 calc R U . . .
H25B H 0.9173 0.4382 0.4369 0.137 Uiso 1 1 calc R U . . .
C26 C 0.9212(11) 0.300(3) 0.4163(14) 0.136(11) Uani 1 1 d . . . . .
H26A H 0.9338 0.3052 0.3893 0.163 Uiso 1 1 calc R U . . .
H26B H 0.9474 0.2897 0.4649 0.163 Uiso 1 1 calc R U . . .
C27 C 0.8904(13) 0.225(2) 0.3919(16) 0.151(12) Uani 1 1 d . . . . .
H27A H 0.9070 0.1696 0.3963 0.226 Uiso 1 1 calc R U . . .
H27B H 0.8782 0.2186 0.4191 0.226 Uiso 1 1 calc R U . . .
H27C H 0.8647 0.2341 0.3437 0.226 Uiso 1 1 calc R U . . .
C28 C 0.8610(7) 0.5875(13) 0.3683(10) 0.082(5) Uani 1 1 d . . . . .
H28A H 0.8393 0.6379 0.3565 0.098 Uiso 1 1 calc R U . . .
H28B H 0.8768 0.5731 0.4174 0.098 Uiso 1 1 calc R U . . .
C29 C 0.8978(8) 0.6182(18) 0.3570(12) 0.107(8) Uani 1 1 d . . . . .
H29A H 0.8826 0.6301 0.3077 0.128 Uiso 1 1 calc R U . . .
H29B H 0.9210 0.5699 0.3718 0.128 Uiso 1 1 calc R U . . .
C30 C 0.9227(11) 0.707(2) 0.4001(15) 0.141(12) Uani 1 1 d . . . . .
H30A H 0.8987 0.7526 0.3876 0.169 Uiso 1 1 calc R U . . .
H30B H 0.9390 0.6929 0.4494 0.169 Uiso 1 1 calc R U . . .
C31 C 0.9572(15) 0.748(3) 0.390(2) 0.21(2) Uani 1 1 d . . . . .
H31A H 0.9709 0.8018 0.4182 0.310 Uiso 1 1 calc R U . . .
H31B H 0.9817 0.7038 0.4033 0.310 Uiso 1 1 calc R U . . .
H31C H 0.9414 0.7635 0.3415 0.310 Uiso 1 1 calc R U . . .
C32 C 0.9626(6) 0.1662(15) 0.2422(10) 0.085(5) Uani 1 1 d . . . . .
H32A H 0.9388 0.2066 0.2373 0.102 Uiso 1 1 calc R U . . .
H32B H 0.9477 0.1313 0.1991 0.102 Uiso 1 1 calc R U . . .
C33 C 0.9776(10) 0.102(3) 0.2994(16) 0.155(13) Uani 1 1 d . . . . .
H33A H 0.9960 0.1349 0.3436 0.186 Uiso 1 1 calc R U . . .
H33B H 0.9977 0.0553 0.3003 0.186 Uiso 1 1 calc R U . . .
C34 C 0.9360(10) 0.056(3) 0.292(2) 0.200(19) Uani 1 1 d D . . . .
H34A H 0.9157 0.0289 0.2459 0.240 Uiso 1 1 calc R U . . .
H34B H 0.9177 0.1023 0.2961 0.240 Uiso 1 1 calc R U . . .
C35 C 0.9511(19) -0.019(5) 0.348(3) 0.22(5) Uani 0.5 1 d D . P . .
H35A H 0.9236 -0.0456 0.3405 0.331 Uiso 0.5 1 calc R U P . .
H35B H 0.9686 -0.0656 0.3432 0.331 Uiso 0.5 1 calc R U P . .
H35C H 0.9706 0.0079 0.3934 0.331 Uiso 0.5 1 calc R U P . .
C36 C 0.9769(9) 0.292(3) 0.1843(14) 0.151(12) Uani 1 1 d . . . . .
H36A H 0.9597 0.2555 0.1416 0.181 Uiso 1 1 calc R U . . .
H36B H 0.9541 0.3304 0.1838 0.181 Uiso 1 1 calc R U . . .
C37 C 1.0084(11) 0.347(2) 0.184(2) 0.185(19) Uani 1 1 d . . . . .
H37A H 1.0264 0.3119 0.1718 0.222 Uiso 1 1 calc R U . . .
H37B H 1.0302 0.3757 0.2289 0.222 Uiso 1 1 calc R U . . .
C39 C 1.0053(14) 0.497(3) 0.125(3) 0.26(3) Uani 1 1 d D . . . .
H39A H 0.9834 0.5386 0.0884 0.390 Uiso 1 1 calc R U . . .
H39B H 1.0231 0.5287 0.1689 0.390 Uiso 1 1 calc R U . . .
H39C H 1.0265 0.4732 0.1151 0.390 Uiso 1 1 calc R U . . .
C38 C 0.9786(12) 0.419(3) 0.128(3) 0.24(3) Uani 1 1 d D . . . .
H38A H 0.9601 0.3889 0.0830 0.291 Uiso 1 1 calc R U . . .
H38B H 0.9567 0.4444 0.1366 0.291 Uiso 1 1 calc R U . . .
Mn1 Mn 0.7500 0.2500 0.0000 0.0283(5) Uani 1 2 d S . P . .
Mo1 Mo 0.65713(4) 0.15855(7) -0.01252(5) 0.0457(3) Uani 1 1 d . . . . .
Mo2 Mo 0.66045(4) 0.15393(8) -0.15180(5) 0.0474(3) Uani 1 1 d . . . . .
Mo3 Mo 0.75372(4) 0.24516(7) -0.13821(5) 0.0463(3) Uani 1 1 d . . . . .
N1 N 0.8183(4) -0.0247(7) 0.0654(7) 0.055(3) Uani 1 1 d . . . . .
N2 N 0.8326(5) 0.5029(10) 0.3240(7) 0.070(4) Uani 1 1 d . . . . .
N3 N 1.0000 0.2229(17) 0.2500 0.084(6) Uani 1 2 d S T P . .
O1 O 0.7173(3) 0.1410(6) -0.1462(4) 0.0458(19) Uani 1 1 d . . . . .
O2 O 0.6249(3) 0.2136(8) -0.2287(5) 0.065(3) Uani 1 1 d . . . . .
O3 O 0.6413(4) 0.0416(8) -0.1704(6) 0.073(3) Uani 1 1 d . . . . .
O4 O 0.6342(3) 0.1986(7) -0.1046(4) 0.048(2) Uani 1 1 d . . . . .
O5 O 0.7138(3) 0.1265(5) -0.0314(4) 0.0421(18) Uani 1 1 d . . . . .
O6 O 0.6193(4) 0.2186(8) -0.0049(5) 0.063(3) Uani 1 1 d . . . . .
O7 O 0.6382(4) 0.0450(8) -0.0259(6) 0.070(3) Uani 1 1 d . . . . .
O8 O 0.7123(3) 0.1490(6) 0.0841(4) 0.047(2) Uani 1 1 d . . . . .
O9 O 0.7162(4) 0.2991(8) -0.2164(5) 0.064(3) Uani 1 1 d . . . . .
O10 O 0.7940(4) 0.1914(7) -0.1435(5) 0.061(2) Uani 1 1 d . . . . .
O11 O 0.7944(3) 0.2074(5) -0.0181(4) 0.0405(18) Uani 1 1 d . . . . .
O12 O 0.7084(3) 0.2888(5) -0.0986(4) 0.0429(19) Uani 1 1 d . . . . .
O13 O 0.8964(5) 0.0092(10) 0.1193(9) 0.107(5) Uani 1 1 d . . . . .
O20 O 0.9108(13) 0.067(3) 0.9835(19) 0.162(12) Uiso 0.65 1 d . . P . .
O20' O 0.951(3) 0.117(6) 1.011(4) 0.19(3) Uiso 0.35 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 0.0180 0.0090 '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'
Mn Mn -0.5300 2.8050 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -0.0480 2.7340 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0490 0.0320 '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
O11 C1 C3 112.9(9) . .
O11 C1 H1A 109.0 . .
C3 C1 H1A 109.0 . .
O11 C1 H1B 109.0 . .
C3 C1 H1B 109.0 . .
H1A C1 H1B 107.8 . .
O12 C2 C3 113.9(10) 7_655 .
O12 C2 H2A 108.8 7_655 .
C3 C2 H2A 108.8 . .
O12 C2 H2B 108.8 7_655 .
C3 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
N1 C3 C15 102.4(10) . .
N1 C3 C1 109.6(10) . .
C15 C3 C1 112.9(11) . .
N1 C3 C2 108.1(11) . .
C15 C3 C2 112.0(10) . .
C1 C3 C2 111.3(11) . .
O13 C4 N1 124.9(16) . .
O13 C4 C5 119.6(16) . .
N1 C4 C5 115.5(16) . .
C4 C5 C13 107.1(18) . .
C4 C5 C6 103(2) . .
C13 C5 C6 115(3) . .
C4 C5 C12 103(2) . .
C13 C5 C12 125(3) . .
C6 C5 C12 101(4) . .
C14 C6 C5 106(3) . .
C14 C6 H6A 110.5 . .
C5 C6 H6A 110.5 . .
C14 C6 H6B 110.5 . .
C5 C6 H6B 110.5 . .
H6A C6 H6B 108.7 . .
C8 C7 C14 124(3) . .
C8 C7 H7A 106.3 . .
C14 C7 H7A 106.3 . .
C8 C7 H7B 106.3 . .
C14 C7 H7B 106.3 . .
H7A C7 H7B 106.4 . .
C9 C8 C7 110(3) . .
C9 C8 C13 94.7(16) . .
C7 C8 C13 93(3) . .
C9 C8 H8 118.1 . .
C7 C8 H8 118.1 . .
C13 C8 H8 118.1 . .
C8 C9 C10 127(3) . .
C8 C9 H9A 105.7 . .
C10 C9 H9A 105.7 . .
C8 C9 H9B 105.7 . .
C10 C9 H9B 105.7 . .
H9A C9 H9B 106.1 . .
C12 C10 C11 95(3) . .
C12 C10 C9 106(4) . .
C11 C10 C9 109(3) . .
C12 C10 H10 114.9 . .
C11 C10 H10 114.9 . .
C9 C10 H10 114.9 . .
C14 C11 C10 120(4) . .
C14 C11 H11A 107.2 . .
C10 C11 H11A 107.2 . .
C14 C11 H11B 107.2 . .
C10 C11 H11B 107.2 . .
H11A C11 H11B 106.9 . .
C10 C12 C5 104(3) . .
C10 C12 H12A 111.0 . .
C5 C12 H12A 111.0 . .
C10 C12 H12B 111.0 . .
C5 C12 H12B 111.0 . .
H12A C12 H12B 109.0 . .
C5 C13 C8 110(3) . .
C5 C13 H13A 109.6 . .
C8 C13 H13A 109.6 . .
C5 C13 H13B 109.6 . .
C8 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
C11 C14 C6 98(4) . .
C11 C14 C7 113(3) . .
C6 C14 C7 100(3) . .
C11 C14 H14 114.6 . .
C6 C14 H14 114.6 . .
C7 C14 H14 114.6 . .
O5 C15 C3 115.5(10) . .
O5 C15 H15A 108.4 . .
C3 C15 H15A 108.4 . .
O5 C15 H15B 108.4 . .
C3 C15 H15B 108.4 . .
H15A C15 H15B 107.5 . .
C17 C16 N2 115.9(12) . .
C17 C16 H16A 108.3 . .
N2 C16 H16A 108.3 . .
C17 C16 H16B 108.3 . .
N2 C16 H16B 108.3 . .
H16A C16 H16B 107.4 . .
C16 C17 C18 109.5(14) . .
C16 C17 H17A 109.8 . .
C18 C17 H17A 109.8 . .
C16 C17 H17B 109.8 . .
C18 C17 H17B 109.8 . .
H17A C17 H17B 108.2 . .
C19 C18 C17 112.7(19) . .
C19 C18 H18A 109.1 . .
C17 C18 H18A 109.1 . .
C19 C18 H18B 109.1 . .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.8 . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N2 C20 C21 114.1(13) . .
N2 C20 H20A 108.7 . .
C21 C20 H20A 108.7 . .
N2 C20 H20B 108.7 . .
C21 C20 H20B 108.7 . .
H20A C20 H20B 107.6 . .
C22 C21 C20 108.6(15) . .
C22 C21 H21A 110.0 . .
C20 C21 H21A 110.0 . .
C22 C21 H21B 110.0 . .
C20 C21 H21B 110.0 . .
H21A C21 H21B 108.3 . .
C21 C22 C23 110(2) . .
C21 C22 H22A 109.7 . .
C23 C22 H22A 109.7 . .
C21 C22 H22B 109.7 . .
C23 C22 H22B 109.7 . .
H22A C22 H22B 108.2 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 N2 112.9(15) . .
C25 C24 H24A 109.0 . .
N2 C24 H24A 109.0 . .
C25 C24 H24B 109.0 . .
N2 C24 H24B 109.0 . .
H24A C24 H24B 107.8 . .
C24 C25 C26 110.1(19) . .
C24 C25 H25A 109.6 . .
C26 C25 H25A 109.6 . .
C24 C25 H25B 109.6 . .
C26 C25 H25B 109.6 . .
H25A C25 H25B 108.1 . .
C27 C26 C25 110(3) . .
C27 C26 H26A 109.6 . .
C25 C26 H26A 109.6 . .
C27 C26 H26B 109.6 . .
C25 C26 H26B 109.6 . .
H26A C26 H26B 108.1 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C29 C28 N2 112.9(13) . .
C29 C28 H28A 109.0 . .
N2 C28 H28A 109.0 . .
C29 C28 H28B 109.0 . .
N2 C28 H28B 109.0 . .
H28A C28 H28B 107.8 . .
C28 C29 C30 109.6(16) . .
C28 C29 H29A 109.8 . .
C30 C29 H29A 109.8 . .
C28 C29 H29B 109.8 . .
C30 C29 H29B 109.8 . .
H29A C29 H29B 108.2 . .
C31 C30 C29 115(2) . .
C31 C30 H30A 108.5 . .
C29 C30 H30A 108.5 . .
C31 C30 H30B 108.5 . .
C29 C30 H30B 108.5 . .
H30A C30 H30B 107.5 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C33 C32 N3 115.8(16) . .
C33 C32 H32A 108.3 . .
N3 C32 H32A 108.3 . .
C33 C32 H32B 108.3 . .
N3 C32 H32B 108.3 . .
H32A C32 H32B 107.4 . .
C32 C33 C34 112(2) . .
C32 C33 H33A 109.2 . .
C34 C33 H33A 109.2 . .
C32 C33 H33B 109.2 . .
C34 C33 H33B 109.2 . .
H33A C33 H33B 107.9 . .
C33 C34 C35 113(3) . .
C33 C34 H34A 109.0 . .
C35 C34 H34A 109.0 . .
C33 C34 H34B 109.0 . .
C35 C34 H34B 109.0 . .
H34A C34 H34B 107.8 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C37 C36 N3 115(2) . .
C37 C36 H36A 108.5 . .
N3 C36 H36A 108.5 . .
C37 C36 H36B 108.5 . .
N3 C36 H36B 108.5 . .
H36A C36 H36B 107.5 . .
C36 C37 C38 105(3) . .
C36 C37 H37A 110.7 . .
C38 C37 H37A 110.7 . .
C36 C37 H37B 110.7 . .
C38 C37 H37B 110.7 . .
H37A C37 H37B 108.8 . .
C38 C39 H39A 109.5 . .
C38 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C38 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C39 C38 C37 116(3) . .
C39 C38 H38A 108.3 . .
C37 C38 H38A 108.3 . .
C39 C38 H38B 108.3 . .
C37 C38 H38B 108.3 . .
H38A C38 H38B 107.4 . .
O11 Mn1 O11 180.0(2) 7_655 .
O11 Mn1 O12 92.1(3) 7_655 .
O11 Mn1 O12 87.9(3) . .
O11 Mn1 O12 87.9(3) 7_655 7_655
O11 Mn1 O12 92.1(3) . 7_655
O12 Mn1 O12 180.0 . 7_655
O11 Mn1 O5 87.4(3) 7_655 .
O11 Mn1 O5 92.6(3) . .
O12 Mn1 O5 87.3(3) . .
O12 Mn1 O5 92.7(3) 7_655 .
O11 Mn1 O5 92.6(3) 7_655 7_655
O11 Mn1 O5 87.4(3) . 7_655
O12 Mn1 O5 92.7(3) . 7_655
O12 Mn1 O5 87.3(3) 7_655 7_655
O5 Mn1 O5 180.0 . 7_655
O11 Mn1 Mo3 44.1(2) 7_655 7_655
O11 Mn1 Mo3 135.9(2) . 7_655
O12 Mn1 Mo3 136.2(2) . 7_655
O12 Mn1 Mo3 43.8(2) 7_655 7_655
O5 Mn1 Mo3 90.1(2) . 7_655
O5 Mn1 Mo3 89.9(2) 7_655 7_655
O11 Mn1 Mo3 135.9(2) 7_655 .
O11 Mn1 Mo3 44.1(2) . .
O12 Mn1 Mo3 43.8(2) . .
O12 Mn1 Mo3 136.2(2) 7_655 .
O5 Mn1 Mo3 89.9(2) . .
O5 Mn1 Mo3 90.1(2) 7_655 .
Mo3 Mn1 Mo3 180.0 7_655 .
O11 Mn1 Mo1 44.5(2) 7_655 .
O11 Mn1 Mo1 135.5(2) . .
O12 Mn1 Mo1 90.3(2) . .
O12 Mn1 Mo1 89.7(2) 7_655 .
O5 Mn1 Mo1 42.9(2) . .
O5 Mn1 Mo1 137.1(2) 7_655 .
Mo3 Mn1 Mo1 60.21(3) 7_655 .
Mo3 Mn1 Mo1 119.79(2) . .
O11 Mn1 Mo1 135.5(2) 7_655 7_655
O11 Mn1 Mo1 44.5(2) . 7_655
O12 Mn1 Mo1 89.7(2) . 7_655
O12 Mn1 Mo1 90.3(2) 7_655 7_655
O5 Mn1 Mo1 137.1(2) . 7_655
O5 Mn1 Mo1 42.9(2) 7_655 7_655
Mo3 Mn1 Mo1 119.79(3) 7_655 7_655
Mo3 Mn1 Mo1 60.21(3) . 7_655
Mo1 Mn1 Mo1 180.00(3) . 7_655
O6 Mo1 O7 105.9(5) . .
O6 Mo1 O4 97.7(4) . .
O7 Mo1 O4 102.9(5) . .
O6 Mo1 O8 102.2(4) . .
O7 Mo1 O8 98.9(5) . .
O4 Mo1 O8 145.1(3) . .
O6 Mo1 O5 160.0(4) . .
O7 Mo1 O5 92.9(4) . .
O4 Mo1 O5 71.1(3) . .
O8 Mo1 O5 80.8(3) . .
O6 Mo1 O11 90.4(4) . 7_655
O7 Mo1 O11 162.4(4) . 7_655
O4 Mo1 O11 81.0(3) . 7_655
O8 Mo1 O11 70.5(3) . 7_655
O5 Mo1 O11 71.9(3) . 7_655
O6 Mo1 Mo2 126.7(4) . .
O7 Mo1 Mo2 91.8(3) . .
O4 Mo1 Mo2 29.1(2) . .
O8 Mo1 Mo2 124.5(2) . .
O5 Mo1 Mo2 44.2(2) . .
O11 Mo1 Mo2 83.45(17) 7_655 .
O6 Mo1 Mn1 124.5(4) . .
O7 Mo1 Mn1 129.6(3) . .
O4 Mo1 Mn1 73.5(3) . .
O8 Mo1 Mn1 71.6(2) . .
O5 Mo1 Mn1 37.4(2) . .
O11 Mo1 Mn1 34.53(17) 7_655 .
Mo2 Mo1 Mn1 60.36(2) . .
O6 Mo1 Mo3 88.2(4) . 7_655
O7 Mo1 Mo3 127.2(4) . 7_655
O4 Mo1 Mo3 125.7(3) . 7_655
O8 Mo1 Mo3 28.8(3) . 7_655
O5 Mo1 Mo3 85.5(2) . 7_655
O11 Mo1 Mo3 44.85(19) 7_655 7_655
Mo2 Mo1 Mo3 119.99(4) . 7_655
Mn1 Mo1 Mo3 59.64(2) . 7_655
O2 Mo2 O3 106.2(6) . .
O2 Mo2 O1 101.5(4) . .
O3 Mo2 O1 99.0(4) . .
O2 Mo2 O4 98.4(4) . .
O3 Mo2 O4 102.8(4) . .
O1 Mo2 O4 144.9(4) . .
O2 Mo2 O5 159.3(4) . .
O3 Mo2 O5 93.5(5) . .
O1 Mo2 O5 81.1(3) . .
O4 Mo2 O5 70.5(3) . .
O2 Mo2 O12 89.3(4) . .
O3 Mo2 O12 163.0(5) . .
O1 Mo2 O12 70.6(3) . .
O4 Mo2 O12 81.1(3) . .
O5 Mo2 O12 72.0(3) . .
O2 Mo2 Mo1 127.2(3) . .
O3 Mo2 Mo1 92.1(3) . .
O1 Mo2 Mo1 124.3(2) . .
O4 Mo2 Mo1 28.8(3) . .
O5 Mo2 Mo1 43.68(18) . .
O12 Mo2 Mo1 83.50(17) . .
O2 Mo2 Mo3 87.7(4) . .
O3 Mo2 Mo3 127.5(3) . .
O1 Mo2 Mo3 28.9(3) . .
O4 Mo2 Mo3 125.3(3) . .
O5 Mo2 Mo3 85.14(19) . .
O12 Mo2 Mo3 44.50(17) . .
Mo1 Mo2 Mo3 119.32(4) . .
O10 Mo3 O9 106.3(5) . .
O10 Mo3 O8 101.9(4) . 7_655
O9 Mo3 O8 97.7(5) . 7_655
O10 Mo3 O1 99.4(4) . .
O9 Mo3 O1 102.3(5) . .
O8 Mo3 O1 145.2(3) 7_655 .
O10 Mo3 O12 161.1(4) . .
O9 Mo3 O12 92.1(4) . .
O8 Mo3 O12 79.4(3) 7_655 .
O1 Mo3 O12 71.7(3) . .
O10 Mo3 O11 92.4(4) . .
O9 Mo3 O11 160.3(4) . .
O8 Mo3 O11 71.7(3) 7_655 .
O1 Mo3 O11 80.3(3) . .
O12 Mo3 O11 70.0(3) . .
O10 Mo3 Mn1 126.8(4) . .
O9 Mo3 Mn1 126.9(3) . .
O8 Mo3 Mn1 72.3(2) 7_655 .
O1 Mo3 Mn1 72.9(2) . .
O12 Mo3 Mn1 35.3(2) . .
O11 Mo3 Mn1 34.70(17) . .
O10 Mo3 Mo2 128.3(4) . .
O9 Mo3 Mo2 89.5(4) . .
O8 Mo3 Mo2 124.9(2) 7_655 .
O1 Mo3 Mo2 29.0(2) . .
O12 Mo3 Mo2 45.6(2) . .
O11 Mo3 Mo2 83.62(19) . .
Mn1 Mo3 Mo2 60.53(2) . .
O10 Mo3 Mo1 88.6(4) . 7_655
O9 Mo3 Mo1 126.8(4) . 7_655
O8 Mo3 Mo1 29.4(3) 7_655 7_655
O1 Mo3 Mo1 125.6(2) . 7_655
O12 Mo3 Mo1 83.7(2) . 7_655
O11 Mo3 Mo1 45.6(2) . 7_655
Mn1 Mo3 Mo1 60.15(2) . 7_655
Mo2 Mo3 Mo1 120.68(3) . 7_655
C4 N1 C3 127.5(13) . .
C16 N2 C20 111.2(13) . .
C16 N2 C24 110.0(13) . .
C20 N2 C24 105.4(11) . .
C16 N2 C28 105.4(11) . .
C20 N2 C28 110.1(14) . .
C24 N2 C28 114.9(14) . .
C32 N3 C32 111(2) 2_755 .
C32 N3 C36 112.1(15) 2_755 .
C32 N3 C36 108.9(13) . .
C32 N3 C36 108.9(13) 2_755 2_755
C32 N3 C36 112.1(15) . 2_755
C36 N3 C36 103(3) . 2_755
Mo3 O1 Mo2 122.1(4) . .
Mo1 O4 Mo2 122.1(5) . .
C15 O5 Mn1 113.4(8) . .
C15 O5 Mo1 123.8(6) . .
Mn1 O5 Mo1 99.7(3) . .
C15 O5 Mo2 122.9(7) . .
Mn1 O5 Mo2 99.8(3) . .
Mo1 O5 Mo2 92.2(3) . .
Mo3 O8 Mo1 121.8(5) 7_655 .
C1 O11 Mn1 118.3(7) . .
C1 O11 Mo3 119.9(7) . .
Mn1 O11 Mo3 101.2(3) . .
C1 O11 Mo1 121.4(7) . 7_655
Mn1 O11 Mo1 100.9(3) . 7_655
Mo3 O11 Mo1 89.6(3) . 7_655
C2 O12 Mn1 116.6(7) 7_655 .
C2 O12 Mo3 121.3(7) 7_655 .
Mn1 O12 Mo3 100.9(3) . .
C2 O12 Mo2 122.1(7) 7_655 .
Mn1 O12 Mo2 100.8(3) . .
Mo3 O12 Mo2 89.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O11 1.424(14) .
C1 C3 1.537(17) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 O12 1.424(14) 7_655
C2 C3 1.561(17) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 N1 1.488(15) .
C3 C15 1.53(2) .
C4 O13 1.27(2) .
C4 N1 1.32(2) .
C4 C5 1.54(2) .
C5 C13 1.55(2) .
C5 C6 1.558(19) .
C5 C12 1.56(2) .
C6 C14 1.55(2) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.55(2) .
C7 C14 1.56(2) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.55(2) .
C8 C13 1.56(2) .
C8 H8 0.9800 .
C9 C10 1.56(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C12 1.55(2) .
C10 C11 1.55(2) .
C10 H10 0.9800 .
C11 C14 1.54(2) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14 0.9800 .
C15 O5 1.430(14) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.50(2) .
C16 N2 1.521(17) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.52(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.48(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 N2 1.53(2) .
C20 C21 1.55(3) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.50(3) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.51(3) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C25 1.49(3) .
C24 N2 1.54(2) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.56(4) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.40(4) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 C29 1.53(2) .
C28 N2 1.54(2) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.56(3) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.49(3) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.46(3) .
C32 N3 1.47(2) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.52(3) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.54(2) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C36 C37 1.37(4) .
C36 N3 1.61(3) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.51(4) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C39 C38 1.500(19) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
Mn1 O11 1.940(7) 7_655
Mn1 O11 1.940(7) .
Mn1 O12 1.967(8) .
Mn1 O12 1.967(8) 7_655
Mn1 O5 2.069(8) .
Mn1 O5 2.069(8) 7_655
Mn1 Mo3 3.3430(8) 7_655
Mn1 Mo3 3.3430(8) .
Mn1 Mo1 3.3605(10) .
Mn1 Mo1 3.3605(9) 7_655
Mo1 O6 1.682(10) .
Mo1 O7 1.739(11) .
Mo1 O4 1.913(8) .
Mo1 O8 1.941(9) .
Mo1 O5 2.322(7) .
Mo1 O11 2.400(8) 7_655
Mo1 Mo2 3.3596(12) .
Mo1 Mo3 3.3623(15) 7_655
Mo2 O2 1.715(10) .
Mo2 O3 1.722(12) .
Mo2 O1 1.922(8) .
Mo2 O4 1.926(7) .
Mo2 O5 2.342(8) .
Mo2 O12 2.401(9) .
Mo2 Mo3 3.3600(14) .
Mo3 O10 1.679(9) .
Mo3 O9 1.701(9) .
Mo3 O8 1.907(9) 7_655
Mo3 O1 1.918(9) .
Mo3 O12 2.355(7) .
Mo3 O11 2.372(8) .
Mo3 Mo1 3.3623(15) 7_655
N3 C32 1.47(2) 2_755
N3 C36 1.61(3) 2_755
O8 Mo3 1.907(9) 7_655
O11 Mo1 2.400(8) 7_655
O12 C2 1.424(14) 7_655
O20 O20' 1.37(8) .
