#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/97/7019747.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_7019747
loop_
_publ_author_name
'Yu, Kai'
'Zhou, Bai-Bin'
'Yu, Yang'
'Su, Zhan-Hua'
'Wang, Hai-Yan'
'Wang, Chun-Mei'
'Wang, Chun-Xiao'
_publ_section_title
;
 Influence of pH and organic ligands on the supramolecular network based
 on molybdenum phosphate/strontium chemistry.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10014
_journal_page_last               10020
_journal_paper_doi               10.1039/c2dt30393k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety
'2(H8 Mo18 O77 P6 Sr2), 10(C3 H5 N2), 17(H2 O)'
_chemical_formula_sum            'C30 H100 Mo36 N20 O171 P12 Sr4'
_chemical_formula_weight         7653.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.5730(10)
_cell_angle_beta                 98.3130(10)
_cell_angle_gamma                117.5160(10)
_cell_formula_units_Z            1
_cell_length_a                   14.0825(7)
_cell_length_b                   15.0808(8)
_cell_length_c                   24.4608(17)
_cell_measurement_reflns_used    6321
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.57
_cell_volume                     4478.6(5)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            39997
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    3.842
_exptl_absorpt_correction_T_max  0.218
_exptl_absorpt_correction_T_min  0.136
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.838
_exptl_crystal_density_meas      2.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3632.0
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.528
_refine_diff_density_min         -2.047
_refine_diff_density_rms         0.288
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1231
_refine_ls_number_reflns         20894
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0567
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0618P)²+107.6712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1159
_reflns_number_gt                13660
_reflns_number_total             22243
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30393k.txt
_cod_data_source_block           wanbz07_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C30 H100 Mo36 N20 O171 P12 Sr4 '
_cod_database_code               7019747
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
C14 C 0.168(2) 0.978(3) 0.4265(16) 0.162(10) Uani 1 1 d U
H14 H 0.2234 1.0446 0.4289 0.194 Uiso 1 1 calc R
C15 C 0.065(2) 0.944(2) 0.4024(16) 0.160(10) Uani 1 1 d U
H15 H 0.0328 0.9776 0.3845 0.192 Uiso 1 1 calc R
C13 C 0.086(3) 0.827(3) 0.4407(16) 0.156(10) Uani 1 1 d U
H13 H 0.0700 0.7689 0.4561 0.188 Uiso 1 1 calc R
N9 N 0.1838(18) 0.9034(19) 0.4483(8) 0.098(7) Uani 1 1 d .
H9C H 0.2448 0.9068 0.4634 0.117 Uiso 1 1 calc R
N8 N 0.0155(15) 0.8392(14) 0.4108(7) 0.079(5) Uani 1 1 d .
H8 H -0.0515 0.7934 0.3973 0.094 Uiso 1 1 calc R
O8W O 0.120(3) 0.262(2) 0.0145(8) 0.208(15) Uani 1 1 d .
H8WA H 0.1469 0.2373 -0.0071 0.249 Uiso 1 1 d R
H8WB H 0.0790 0.2860 0.0010 0.249 Uiso 1 1 d R
N10 N 0.3587(18) 0.5881(14) 0.4586(9) 0.089(6) Uani 1 1 d .
H10 H 0.3438 0.5406 0.4780 0.107 Uiso 1 1 calc R
C10 C 0.2860(15) 0.6077(14) 0.4253(8) 0.055(4) Uani 1 1 d U
H10A H 0.2101 0.5676 0.4169 0.066 Uiso 1 1 calc R
O7W O 0.3623(15) 0.1211(15) 0.0830(7) 0.110(6) Uani 1 1 d .
H7WA H 0.3951 0.0934 0.0678 0.132 Uiso 1 1 d R
H7WB H 0.3248 0.1416 0.0629 0.132 Uiso 1 1 d R
O9W O 0.3390(10) 0.3361(9) 0.4964(5) 0.056(2) Uani 1 1 d U
H9WA H 0.3591 0.3054 0.4736 0.067 Uiso 1 1 d R
H9WB H 0.3082 0.3696 0.4845 0.067 Uiso 1 1 d R
O1W O 0.7427(12) 0.1870(11) 0.9171(6) 0.086(4) Uani 1 1 d U
H1WA H 0.7489 0.1744 0.8835 0.104 Uiso 1 1 d R
H1WB H 0.7822 0.1800 0.9442 0.104 Uiso 1 1 d R
C12 C 0.4605(14) 0.6609(14) 0.4540(8) 0.051(3) Uani 1 1 d U
H12 H 0.5281 0.6666 0.4690 0.061 Uiso 1 1 calc R
O3W O 0.7754(12) 0.2199(11) 0.8020(6) 0.084(4) Uani 1 1 d U
H3WA H 0.7573 0.2107 0.7664 0.100 Uiso 1 1 d R
H3WB H 0.8327 0.2184 0.8174 0.100 Uiso 1 1 d R
C11 C 0.3399(15) 0.6901(14) 0.4081(8) 0.050(4) Uani 1 1 d U
H11 H 0.3084 0.7218 0.3872 0.061 Uiso 1 1 calc R
O2W O 0.9692(12) 0.3288(11) 0.9613(6) 0.087(4) Uani 1 1 d U
H2WA H 0.9889 0.3202 0.9308 0.104 Uiso 1 1 d R
H2WB H 1.0117 0.3409 0.9927 0.104 Uiso 1 1 d R
O6W O 0.5000 1.0000 1.0000 0.048(3) Uani 1 2 d SU
H6WA H 0.4645 1.0171 0.9761 0.058 Uiso 0.50 1 d PR
H6WB H 0.5362 0.9721 0.9893 0.058 Uiso 0.50 1 d PR
O4W O 0.8158(10) 0.1365(9) 0.7023(6) 0.063(3) Uani 1 1 d U
H4WA H 0.7936 0.1313 0.6674 0.075 Uiso 1 1 d R
H4WB H 0.8693 0.1264 0.7137 0.075 Uiso 1 1 d R
O5W O 0.6386(9) 0.1363(9) 0.6415(5) 0.055(3) Uani 1 1 d U
H5WA H 0.6066 0.1404 0.6104 0.066 Uiso 1 1 d R
H5WB H 0.6860 0.1162 0.6422 0.066 Uiso 1 1 d R
Mo1 Mo 0.14484(8) 0.94121(8) 0.69146(4) 0.0178(2) Uani 1 1 d .
Mo2 Mo 0.55791(8) 0.66986(7) 0.78053(4) 0.0155(2) Uani 1 1 d .
Mo3 Mo 0.56309(8) 0.91326(7) 0.76112(4) 0.0167(2) Uani 1 1 d .
Mo4 Mo 0.41181(8) 0.40319(8) 0.79755(4) 0.0165(2) Uani 1 1 d .
Mo5 Mo 0.01113(8) 0.41778(8) 0.67692(4) 0.0168(2) Uani 1 1 d .
Mo6 Mo 0.42745(8) 1.07046(7) 0.74423(4) 0.0175(2) Uani 1 1 d .
Mo7 Mo 0.12962(8) 0.27137(7) 0.74347(4) 0.0172(2) Uani 1 1 d .
Mo8 Mo 0.46797(8) 0.82151(8) 0.60693(4) 0.0190(2) Uani 1 1 d .
Mo9 Mo 0.21931(8) 0.83986(8) 0.91700(4) 0.0186(2) Uani 1 1 d .
Mo10 Mo 0.21578(8) 0.59306(8) 0.93609(4) 0.0165(2) Uani 1 1 d .
Mo11 Mo 0.46302(8) 0.57592(8) 0.62651(4) 0.0183(2) Uani 1 1 d .
Mo12 Mo 0.01662(8) 0.66205(8) 0.65753(4) 0.0168(2) Uani 1 1 d .
Mo13 Mo 0.23216(8) 0.35943(8) 0.88292(4) 0.0173(2) Uani 1 1 d .
Mo14 Mo 0.24827(8) 1.03925(8) 0.83035(4) 0.0189(2) Uani 1 1 d .
Mo15 Mo 0.32183(8) 0.96936(8) 0.60464(4) 0.0193(2) Uani 1 1 d .
Mo16 Mo 0.19481(8) 0.69434(8) 0.55540(4) 0.0194(2) Uani 1 1 d .
Mo17 Mo 0.30877(8) 0.31822(8) 0.65582(4) 0.0193(2) Uani 1 1 d .
Mo18 Mo 0.18942(9) 0.44942(8) 0.57484(4) 0.0196(2) Uani 1 1 d .
Sr2 Sr 0.25860(9) 0.68643(8) 0.80551(5) 0.0174(2) Uani 1 1 d .
P1 P 0.2943(2) 0.8019(2) 0.69773(12) 0.0147(6) Uani 1 1 d .
P2 P 0.2875(2) 0.5251(2) 0.71915(12) 0.0138(6) Uani 1 1 d .
P3 P 0.4365(2) 0.6045(2) 0.88886(12) 0.0148(6) Uani 1 1 d .
P4 P 0.4436(2) 0.9604(2) 0.85967(13) 0.0180(6) Uani 1 1 d .
P5 P 0.0525(2) 0.4267(2) 0.81635(13) 0.0178(6) Uani 1 1 d .
P6 P 0.0590(2) 0.7837(2) 0.78749(13) 0.0180(6) Uani 1 1 d .
Sr1 Sr 0.48053(10) 0.29934(10) 0.95386(5) 0.0254(3) Uani 1 1 d .
O1 O 0.5683(6) 0.7966(6) 0.7771(3) 0.0201(14) Uani 1 1 d U
O2 O 0.2973(6) 0.9066(6) 0.6919(3) 0.0187(12) Uani 1 1 d U
O3 O 0.3127(6) 0.7610(6) 0.6425(3) 0.0193(13) Uani 1 1 d U
O4 O 0.0025(6) 0.5365(6) 0.6709(3) 0.0202(14) Uani 1 1 d U
O5 O 0.4655(7) 0.6971(6) 0.6108(3) 0.0224(14) Uani 1 1 d U
O6 O 0.1804(6) 0.5213(6) 0.7255(3) 0.0175(13) Uani 1 1 d U
O7 O 0.3573(7) 0.8618(6) 0.8721(3) 0.0214(14) Uani 1 1 d U
O8 O 0.2209(7) 0.7130(6) 0.9162(3) 0.0212(14) Uani 1 1 d U
O9 O 0.1317(6) 0.7587(6) 0.8289(3) 0.0199(14) Uani 1 1 d U
O10 O 0.1961(7) 0.5720(6) 0.5609(3) 0.0237(15) Uani 1 1 d U
O11 O 0.0623(7) 0.8107(6) 0.6580(3) 0.0195(14) Uani 1 1 d U
O12 O 0.1249(6) 0.5352(6) 0.8469(3) 0.0186(14) Uani 1 1 d U
O13 O 0.2576(6) 0.3087(6) 0.8084(3) 0.0194(13) Uani 1 1 d U
O14 O 0.3783(6) 0.6126(6) 0.7626(3) 0.0186(13) Uani 1 1 d U
O15 O 0.5421(6) 0.8740(6) 0.6827(3) 0.0212(14) Uani 1 1 d U
O16 O 0.3052(6) 0.5378(6) 0.6595(3) 0.0198(13) Uani 1 1 d U
O17 O 0.0484(6) 0.3082(6) 0.6976(3) 0.0197(13) Uani 1 1 d U
O18 O 0.3845(6) 0.8204(6) 0.7474(3) 0.0178(13) Uani 1 1 d U
O19 O 0.4859(7) 0.3743(6) 0.8464(3) 0.0206(14) Uani 1 1 d U
O20 O 0.2765(7) 1.0515(6) 0.7512(3) 0.0198(13) Uani 1 1 d U
O21 O 0.2842(6) 0.4218(6) 0.7290(3) 0.0194(12) Uani 1 1 d U
O22 O 0.0782(7) 0.4249(6) 0.6153(3) 0.0216(14) Uani 1 1 d U
O23 O 0.3516(6) 0.6412(6) 0.8875(3) 0.0190(13) Uani 1 1 d U
O24 O 0.4365(7) 0.9445(6) 0.6116(3) 0.0217(14) Uani 1 1 d U
O25 O 0.5050(7) 1.1909(6) 0.7817(4) 0.0233(17) Uani 1 1 d U
O26 O 0.0839(7) 0.6622(6) 0.5966(3) 0.0223(14) Uani 1 1 d U
O27 O 0.5266(6) 0.6730(6) 0.8593(3) 0.0209(14) Uani 1 1 d U
O28 O -0.0035(7) 0.6968(6) 0.7365(3) 0.0225(15) Uani 1 1 d U
O29 O -0.0112(6) 0.4238(6) 0.7590(3) 0.0197(14) Uani 1 1 d U
O30 O 0.0974(7) 0.5461(6) 0.9603(3) 0.0233(17) Uani 1 1 d U
O31 O 0.1847(6) 0.7284(6) 0.7096(3) 0.0190(13) Uani 1 1 d U
O32 O 0.3752(7) 0.4918(6) 0.8544(3) 0.0201(13) Uani 1 1 d U
O33 O 0.1275(6) 0.3773(6) 0.8076(3) 0.0200(14) Uani 1 1 d U
O34 O 0.5118(6) 0.5213(6) 0.7847(3) 0.0199(13) Uani 1 1 d U
O35 O 0.5359(6) 0.6358(6) 0.7017(3) 0.0204(13) Uani 1 1 d U
O36 O 0.3884(7) 1.0000(6) 0.8162(3) 0.0202(13) Uani 1 1 d U
O37 O 0.5225(6) 1.0233(6) 0.7446(3) 0.0202(14) Uani 1 1 d U
O38 O 0.1361(7) 0.8840(6) 0.7680(3) 0.0212(14) Uani 1 1 d U
O39 O 0.2289(7) 0.9564(6) 0.8835(3) 0.0218(14) Uani 1 1 d U
O40 O 0.1843(7) 0.2245(6) 0.6927(3) 0.0217(15) Uani 1 1 d U
O41 O 0.3357(7) 0.3529(6) 0.9273(3) 0.0228(15) Uani 1 1 d U
O42 O 0.4877(7) 0.6055(6) 0.9473(3) 0.0206(14) Uani 1 1 d U
O43 O 0.3452(7) 0.7612(6) 0.5445(3) 0.0214(14) Uani 1 1 d U
O44 O 0.2197(7) 0.4617(6) 0.9220(3) 0.0217(14) Uani 1 1 d U
O45 O 0.3388(7) 0.4932(6) 0.5644(3) 0.0241(14) Uani 1 1 d U
O46 O -0.1208(7) 0.3310(6) 0.6489(4) 0.0264(18) Uani 1 1 d U
O47 O 0.4258(7) 0.4351(6) 0.6494(3) 0.0222(14) Uani 1 1 d U
O48 O 0.3235(7) 0.2286(7) 0.6188(4) 0.0309(19) Uani 1 1 d U
O49 O 0.1180(7) 0.2517(7) 0.8871(4) 0.0302(19) Uani 1 1 d U
O50 O -0.0249(7) 0.7982(6) 0.8147(4) 0.0231(17) Uani 1 1 d U
O51 O 0.2042(7) 0.9929(6) 0.6336(3) 0.0214(14) Uani 1 1 d U
O52 O 0.1366(7) 1.0556(7) 0.8235(4) 0.0261(18) Uani 1 1 d U
O53 O 0.2200(7) 0.8440(6) 0.5674(4) 0.0229(14) Uani 1 1 d U
O54 O 0.0562(7) 0.9858(7) 0.6939(3) 0.0249(18) Uani 1 1 d U
O55 O 0.6928(7) 0.7069(6) 0.8014(4) 0.0232(17) Uani 1 1 d U
O56 O 0.5332(7) 0.9465(6) 0.8389(3) 0.0217(15) Uani 1 1 d U
O57 O 0.2074(7) 0.3324(6) 0.6089(4) 0.0241(14) Uani 1 1 d U
O58 O 0.3127(7) 0.6407(7) 0.9966(3) 0.0259(17) Uani 1 1 d U
O59 O 0.5676(7) 0.5802(7) 0.5977(3) 0.0230(17) Uani 1 1 d U
O60 O 0.3944(7) 0.3220(6) 0.7333(3) 0.0204(14) Uani 1 1 d U
O61 O 0.1188(7) 0.3725(7) 0.5135(4) 0.0291(19) Uani 1 1 d U
O62 O 0.0352(7) 0.1652(6) 0.7599(4) 0.0262(18) Uani 1 1 d U
O63 O 0.3516(7) 1.1547(6) 0.8674(4) 0.0254(16) Uani 1 1 d U
O64 O 0.5977(7) 0.4952(7) 0.9619(4) 0.0310(19) Uani 1 1 d U
H64A H 0.6023 0.5212 0.9325 0.037 Uiso 1 1 d R
H64B H 0.6313 0.5332 0.9940 0.037 Uiso 1 1 d R
O65 O 0.3406(7) 1.0433(6) 0.5550(4) 0.0263(18) Uani 1 1 d U
O66 O 0.5040(8) 1.0427(7) 0.9132(4) 0.032(2) Uani 1 1 d U
O67 O 0.6968(7) 0.9966(7) 0.7806(4) 0.0277(19) Uani 1 1 d U
O68 O 0.4141(7) 1.0917(6) 0.6739(3) 0.0219(15) Uani 1 1 d U
O69 O -0.1138(7) 0.6230(7) 0.6249(4) 0.0283(19) Uani 1 1 d U
O70 O 0.1005(7) 0.8095(7) 0.9381(4) 0.0298(19) Uani 1 1 d U
O71 O -0.0296(7) 0.3659(7) 0.8503(4) 0.0256(18) Uani 1 1 d U
O72 O 0.3153(8) 0.9085(7) 0.9776(4) 0.0305(19) Uani 1 1 d U
O73 O 0.1255(7) 0.6660(7) 0.4891(4) 0.0284(19) Uani 1 1 d U
O74 O 0.5723(7) 0.8771(7) 0.5741(4) 0.0267(18) Uani 1 1 d U
O75 O 0.6043(9) 0.2735(9) 0.8926(5) 0.054(3) Uani 1 1 d U
H75A H 0.6081 0.2940 0.8615 0.065 Uiso 1 1 d R
H75B H 0.6412 0.2447 0.9037 0.065 Uiso 1 1 d R
O76 O 0.4943(10) 0.1563(9) 1.0047(6) 0.063(3) Uani 1 1 d U
H76A H 0.5037 0.1109 0.9868 0.076 Uiso 1 1 d R
H76B H 0.4891 0.1560 1.0389 0.076 Uiso 1 1 d R
O77 O 0.2917(11) 0.1833(10) 0.9850(6) 0.076(4) Uani 1 1 d U
H77A H 0.2306 0.1670 0.9636 0.091 Uiso 1 1 d R
H77B H 0.2930 0.1631 1.0162 0.091 Uiso 1 1 d R
C5 C 0.8608(11) 0.6244(11) 0.8593(7) 0.037(3) Uani 1 1 d U
H5 H 0.8864 0.6846 0.8453 0.044 Uiso 1 1 calc R
C9 C 0.8560(11) 0.8443(11) 0.7361(7) 0.034(3) Uani 1 1 d U
H9 H 0.8896 0.8212 0.7624 0.041 Uiso 1 1 calc R
C2 C 0.6338(13) 0.4460(13) 0.7074(7) 0.044(3) Uani 1 1 d U
H2 H 0.5831 0.4652 0.6923 0.053 Uiso 1 1 calc R
C7 C 0.8119(14) 0.9468(13) 0.6992(8) 0.041(3) Uani 1 1 d U
H7 H 0.8093 1.0053 0.6924 0.049 Uiso 1 1 calc R
C1 C 0.6170(13) 0.3629(13) 0.7244(8) 0.048(3) Uani 1 1 d U
H1 H 0.5485 0.3095 0.7245 0.058 Uiso 1 1 calc R
N6 N 0.8649(15) 0.9359(12) 0.7427(9) 0.077(6) Uani 1 1 d .
H6 H 0.9015 0.9821 0.7723 0.093 Uiso 1 1 calc R
C6 C 0.9182(13) 0.5815(13) 0.8752(7) 0.046(3) Uani 1 1 d U
H6A H 0.9913 0.6048 0.8735 0.055 Uiso 1 1 calc R
C4 C 0.7572(13) 0.4938(13) 0.8870(8) 0.049(3) Uani 1 1 d U
H4 H 0.6952 0.4430 0.8958 0.059 Uiso 1 1 calc R
N1 N 0.7592(18) 0.5688(17) 0.8661(9) 0.105(7) Uani 1 1 d .
H1A H 0.7054 0.5810 0.8580 0.126 Uiso 1 1 calc R
N3 N 0.7124(19) 0.3645(17) 0.7418(7) 0.092(7) Uani 1 1 d .
H3C H 0.7195 0.3154 0.7533 0.110 Uiso 1 1 calc R
N5 N 0.7615(15) 0.856(2) 0.6659(9) 0.105(8) Uani 1 1 d .
H5A H 0.7149 0.8404 0.6349 0.126 Uiso 1 1 calc R
N2 N 0.8548(17) 0.4967(16) 0.8947(9) 0.101(7) Uani 1 1 d .
H2A H 0.8730 0.4551 0.9087 0.122 Uiso 1 1 calc R
C8 C 0.7921(15) 0.7898(14) 0.6865(8) 0.053(4) Uani 1 1 d U
H8A H 0.7731 0.7240 0.6701 0.064 Uiso 1 1 calc R
C3 C 0.7913(15) 0.4507(17) 0.7388(9) 0.056(3) Uani 1 1 d U
H3 H 0.8657 0.4720 0.7500 0.067 Uiso 1 1 calc R
N4 N 0.751(2) 0.5012(16) 0.7180(9) 0.123(10) Uani 1 1 d .
H4A H 0.7882 0.5610 0.7109 0.148 Uiso 1 1 calc R
N7 N 0.441(2) 0.7226(14) 0.4229(9) 0.111(9) Uani 1 1 d .
H7A H 0.4902 0.7765 0.4146 0.133 Uiso 1 1 calc R
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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
C15 C14 N9 111(3) . .
C14 C15 N8 102(2) . .
N8 C13 N9 113(3) . .
C13 N9 C14 104(2) . .
C13 N8 C15 108(2) . .
C10 N10 C12 105.0(17) . .
C11 C10 N10 108.5(17) . .
N7 C12 N10 104.7(17) . .
N7 C11 C10 111.0(19) . .
O54 Mo1 O11 104.9(4) . .
O54 Mo1 O51 101.2(4) . .
O11 Mo1 O51 99.2(4) . .
O54 Mo1 O20 99.7(4) . .
O11 Mo1 O20 149.5(3) . .
O51 Mo1 O20 93.2(4) . .
O54 Mo1 O38 98.9(4) . .
O11 Mo1 O38 85.1(3) . .
O51 Mo1 O38 157.5(3) . .
O20 Mo1 O38 73.5(3) . .
O54 Mo1 O2 170.3(4) . .
O11 Mo1 O2 84.6(3) . .
O51 Mo1 O2 74.6(3) . .
O20 Mo1 O2 72.1(3) . .
O38 Mo1 O2 83.9(3) . .
O55 Mo2 O1 98.9(4) . .
O55 Mo2 O35 101.7(4) . .
O1 Mo2 O35 92.7(3) . .
O55 Mo2 O27 96.0(4) . .
O1 Mo2 O27 92.3(3) . .
O35 Mo2 O27 160.6(3) . .
O55 Mo2 O34 92.9(4) . .
O1 Mo2 O34 167.6(3) . .
O35 Mo2 O34 88.6(3) . .
O27 Mo2 O34 82.6(3) . .
O55 Mo2 O14 172.9(3) . .
O1 Mo2 O14 85.0(3) . .
O35 Mo2 O14 84.0(3) . .
O27 Mo2 O14 77.9(3) . .
O34 Mo2 O14 82.9(3) . .
O67 Mo3 O1 98.8(4) . .
O67 Mo3 O15 103.3(4) . .
O1 Mo3 O15 93.5(3) . .
O67 Mo3 O37 92.9(4) . .
O1 Mo3 O37 167.6(3) . .
O15 Mo3 O37 87.9(3) . .
O67 Mo3 O56 93.2(4) . .
O1 Mo3 O56 93.2(3) . .
O15 Mo3 O56 161.0(3) . .
O37 Mo3 O56 81.8(3) . .
O67 Mo3 O18 170.0(4) . .
O1 Mo3 O18 85.9(3) . .
O15 Mo3 O18 85.2(3) . .
O37 Mo3 O18 81.9(3) . .
O56 Mo3 O18 77.6(3) . .
O19 Mo4 O34 102.9(4) . .
O19 Mo4 O60 103.3(4) . .
O34 Mo4 O60 98.7(4) . .
O19 Mo4 O13 99.4(4) . .
O34 Mo4 O13 151.5(3) . .
O60 Mo4 O13 93.1(3) . .
O19 Mo4 O32 96.8(4) . .
O34 Mo4 O32 86.0(3) . .
O60 Mo4 O32 157.7(3) . .
O13 Mo4 O32 73.9(3) . .
O19 Mo4 O21 171.8(3) . .
O34 Mo4 O21 85.3(3) . .
O60 Mo4 O21 75.0(3) . .
O13 Mo4 O21 72.8(3) . .
O32 Mo4 O21 83.7(3) . .
O46 Mo5 O4 99.2(4) . .
O46 Mo5 O22 102.7(4) . .
O4 Mo5 O22 93.5(3) . .
O46 Mo5 O17 92.0(4) . .
O4 Mo5 O17 167.6(3) . .
O22 Mo5 O17 89.3(3) . .
O46 Mo5 O29 94.1(4) . .
O4 Mo5 O29 92.3(3) . .
O22 Mo5 O29 161.1(3) . .
O17 Mo5 O29 81.5(3) . .
O46 Mo5 O6 171.2(4) . .
O4 Mo5 O6 85.4(3) . .
O22 Mo5 O6 84.4(3) . .
O17 Mo5 O6 82.9(3) . .
O29 Mo5 O6 78.1(3) . .
O25 Mo6 O68 102.1(4) . .
O25 Mo6 O37 103.5(4) . .
O68 Mo6 O37 99.9(4) . .
O25 Mo6 O20 98.4(4) . .
O68 Mo6 O20 94.2(3) . .
O37 Mo6 O20 150.8(3) . .
O25 Mo6 O36 95.3(4) . .
O68 Mo6 O36 159.9(4) . .
O37 Mo6 O36 85.6(3) . .
O20 Mo6 O36 73.1(3) . .
O25 Mo6 O2 171.7(3) . .
O68 Mo6 O2 77.0(3) . .
O37 Mo6 O2 84.8(3) . .
O20 Mo6 O2 73.5(3) . .
O36 Mo6 O2 84.3(3) . .
O62 Mo7 O17 102.9(4) . .
O62 Mo7 O40 103.5(4) . .
O17 Mo7 O40 99.6(4) . .
O62 Mo7 O13 99.4(4) . .
O17 Mo7 O13 150.1(3) . .
O40 Mo7 O13 94.2(3) . .
O62 Mo7 O33 97.1(4) . .
O17 Mo7 O33 84.7(3) . .
O40 Mo7 O33 157.3(4) . .
O13 Mo7 O33 73.0(3) . .
O62 Mo7 O21 172.0(3) . .
O17 Mo7 O21 85.1(3) . .
O40 Mo7 O21 75.4(3) . .
O13 Mo7 O21 72.9(3) . .
O33 Mo7 O21 82.9(3) . .
O74 Mo8 O5 100.8(4) . .
O74 Mo8 O15 100.8(4) . .
O5 Mo8 O15 91.7(4) . .
O74 Mo8 O43 100.9(4) . .
O5 Mo8 O43 92.3(4) . .
O15 Mo8 O43 156.7(3) . .
O74 Mo8 O24 93.5(4) . .
O5 Mo8 O24 165.7(3) . .
O15 Mo8 O24 86.4(3) . .
O43 Mo8 O24 84.1(3) . .
O74 Mo8 O3 169.5(4) . .
O5 Mo8 O3 87.8(3) . .
O15 Mo8 O3 84.7(3) . .
O43 Mo8 O3 72.6(3) . .
O24 Mo8 O3 77.8(3) . .
O70 Mo9 O72 102.2(5) . .
O70 Mo9 O8 99.9(4) . .
O72 Mo9 O8 99.1(4) . .
O70 Mo9 O39 96.9(4) . .
O72 Mo9 O39 97.0(4) . .
O8 Mo9 O39 153.7(3) . .
O70 Mo9 O9 92.4(4) . .
O72 Mo9 O9 165.4(4) . .
O8 Mo9 O9 78.2(3) . .
O39 Mo9 O9 81.0(3) . .
O70 Mo9 O7 168.7(4) . .
O72 Mo9 O7 89.1(4) . .
O8 Mo9 O7 77.5(3) . .
O39 Mo9 O7 82.1(3) . .
O9 Mo9 O7 76.4(3) . .
O70 Mo9 Sr2 126.0(3) . .
O72 Mo9 Sr2 123.7(3) . .
O8 Mo9 Sr2 50.4(2) . .
O39 Mo9 Sr2 103.3(2) . .
O9 Mo9 Sr2 44.0(2) . .
O7 Mo9 Sr2 44.2(2) . .
O58 Mo10 O30 102.1(4) . .
O58 Mo10 O8 101.3(4) . .
O30 Mo10 O8 99.5(4) . .
O58 Mo10 O44 94.5(4) . .
O30 Mo10 O44 96.7(4) . .
O8 Mo10 O44 154.3(3) . .
O58 Mo10 O12 165.2(4) . .
O30 Mo10 O12 92.2(4) . .
O8 Mo10 O12 79.6(3) . .
O44 Mo10 O12 80.1(3) . .
O58 Mo10 O23 88.7(4) . .
O30 Mo10 O23 169.0(4) . .
O8 Mo10 O23 79.3(3) . .
O44 Mo10 O23 81.0(3) . .
O12 Mo10 O23 76.9(3) . .
O58 Mo10 Sr2 124.2(3) . .
O30 Mo10 Sr2 127.1(3) . .
O8 Mo10 Sr2 51.3(2) . .
O44 Mo10 Sr2 103.1(2) . .
O12 Mo10 Sr2 45.5(2) . .
O23 Mo10 Sr2 44.26(19) . .
O59 Mo11 O35 101.0(4) . .
O59 Mo11 O5 100.6(4) . .
O35 Mo11 O5 92.4(4) . .
O59 Mo11 O45 100.7(4) . .
O35 Mo11 O45 156.6(3) . .
O5 Mo11 O45 91.9(4) . .
O59 Mo11 O47 92.7(4) . .
O35 Mo11 O47 87.2(3) . .
O5 Mo11 O47 166.5(3) . .
O45 Mo11 O47 83.3(3) . .
O59 Mo11 O16 169.3(4) . .
O35 Mo11 O16 84.9(3) . .
O5 Mo11 O16 88.0(3) . .
O45 Mo11 O16 72.3(3) . .
O47 Mo11 O16 78.6(3) . .
O69 Mo12 O4 99.2(4) . .
O69 Mo12 O26 102.1(4) . .
O4 Mo12 O26 93.4(3) . .
O69 Mo12 O11 93.1(4) . .
O4 Mo12 O11 166.8(3) . .
O26 Mo12 O11 88.9(3) . .
O69 Mo12 O28 95.5(4) . .
O4 Mo12 O28 91.5(3) . .
O26 Mo12 O28 160.7(4) . .
O11 Mo12 O28 82.3(3) . .
O69 Mo12 O31 171.6(4) . .
O4 Mo12 O31 85.3(3) . .
O26 Mo12 O31 84.7(3) . .
O11 Mo12 O31 82.0(3) . .
O28 Mo12 O31 77.1(3) . .
O49 Mo13 O41 102.7(4) . .
O49 Mo13 O44 104.0(4) . .
O41 Mo13 O44 103.6(4) . .
O49 Mo13 O13 98.6(4) . .
O41 Mo13 O13 97.4(4) . .
O44 Mo13 O13 144.6(3) . .
O49 Mo13 O33 88.0(4) . .
O41 Mo13 O33 164.3(3) . .
O44 Mo13 O33 84.6(3) . .
O13 Mo13 O33 69.3(3) . .
O49 Mo13 O32 166.4(4) . .
O41 Mo13 O32 85.1(3) . .
O44 Mo13 O32 84.5(3) . .
O13 Mo13 O32 69.1(3) . .
O33 Mo13 O32 82.3(3) . .
O52 Mo14 O63 103.2(4) . .
O52 Mo14 O39 103.6(4) . .
O63 Mo14 O39 102.4(4) . .
O52 Mo14 O20 99.1(4) . .
O63 Mo14 O20 100.4(4) . .
O39 Mo14 O20 142.9(3) . .
O52 Mo14 O38 86.4(4) . .
O63 Mo14 O38 167.2(4) . .
O39 Mo14 O38 83.2(3) . .
O20 Mo14 O38 69.3(3) . .
O52 Mo14 O36 166.0(4) . .
O63 Mo14 O36 86.3(4) . .
O39 Mo14 O36 83.9(3) . .
O20 Mo14 O36 68.7(3) . .
O38 Mo14 O36 82.9(3) . .
O65 Mo15 O53 104.3(4) . .
O65 Mo15 O24 104.5(4) . .
O53 Mo15 O24 96.2(4) . .
O65 Mo15 O51 97.4(4) . .
O53 Mo15 O51 91.0(4) . .
O24 Mo15 O51 154.4(3) . .
O65 Mo15 O68 95.6(4) . .
O53 Mo15 O68 157.9(3) . .
O24 Mo15 O68 87.8(4) . .
O51 Mo15 O68 76.8(3) . .
O65 Mo15 O2 163.1(4) . .
O53 Mo15 O2 88.5(3) . .
O24 Mo15 O2 84.6(3) . .
O51 Mo15 O2 71.0(3) . .
O68 Mo15 O2 70.2(3) . .
O73 Mo16 O10 99.9(4) . .
O73 Mo16 O26 102.6(4) . .
O10 Mo16 O26 91.8(4) . .
O73 Mo16 O43 100.4(4) . .
O10 Mo16 O43 92.5(3) . .
O26 Mo16 O43 155.5(4) . .
O73 Mo16 O53 93.4(4) . .
O10 Mo16 O53 166.5(4) . .
O26 Mo16 O53 87.6(3) . .
O43 Mo16 O53 82.6(3) . .
O73 Mo16 O3 169.4(4) . .
O10 Mo16 O3 87.4(3) . .
O26 Mo16 O3 84.7(3) . .
O43 Mo16 O3 71.4(3) . .
O53 Mo16 O3 79.1(3) . .
O48 Mo17 O57 104.3(4) . .
O48 Mo17 O47 103.1(4) . .
O57 Mo17 O47 96.2(4) . .
O48 Mo17 O40 98.2(4) . .
O57 Mo17 O40 88.1(4) . .
O47 Mo17 O40 156.4(4) . .
O48 Mo17 O60 97.3(4) . .
O57 Mo17 O60 155.5(3) . .
O47 Mo17 O60 89.7(3) . .
O40 Mo17 O60 77.6(3) . .
O48 Mo17 O21 164.7(4) . .
O57 Mo17 O21 86.2(3) . .
O47 Mo17 O21 86.4(3) . .
O40 Mo17 O21 70.8(3) . .
O60 Mo17 O21 70.4(3) . .
O61 Mo18 O10 101.6(4) . .
O61 Mo18 O22 101.9(4) . .
O10 Mo18 O22 91.5(4) . .
O61 Mo18 O45 99.9(4) . .
O10 Mo18 O45 92.2(4) . .
O22 Mo18 O45 156.6(4) . .
O61 Mo18 O57 92.0(4) . .
O10 Mo18 O57 166.4(4) . .
O22 Mo18 O57 87.2(3) . .
O45 Mo18 O57 83.8(3) . .
O61 Mo18 O16 168.7(4) . .
O10 Mo18 O16 87.5(3) . .
O22 Mo18 O16 84.3(3) . .
O45 Mo18 O16 72.8(3) . .
O57 Mo18 O16 78.9(3) . .
O23 Sr2 O9 116.2(2) . .
O23 Sr2 O7 81.3(3) . .
O9 Sr2 O7 65.2(3) . .
O23 Sr2 O12 65.4(3) . .
O9 Sr2 O12 81.8(2) . .
O7 Sr2 O12 115.4(3) . .
O23 Sr2 O6 102.4(2) . .
O9 Sr2 O6 119.8(2) . .
O7 Sr2 O6 170.1(3) . .
O12 Sr2 O6 74.3(2) . .
O23 Sr2 O31 169.9(2) . .
O9 Sr2 O31 73.7(2) . .
O7 Sr2 O31 102.6(2) . .
O12 Sr2 O31 119.8(3) . .
O6 Sr2 O31 72.3(2) . .
O23 Sr2 O14 73.7(2) . .
O9 Sr2 O14 170.0(2) . .
O7 Sr2 O14 119.3(3) . .
O12 Sr2 O14 102.8(2) . .
O6 Sr2 O14 54.3(2) . .
O31 Sr2 O14 96.4(2) . .
O23 Sr2 O18 118.7(3) . .
O9 Sr2 O18 102.3(2) . .
O7 Sr2 O18 73.8(2) . .
O12 Sr2 O18 170.8(2) . .
O6 Sr2 O18 96.5(2) . .
O31 Sr2 O18 54.7(2) . .
O14 Sr2 O18 71.9(2) . .
O23 Sr2 O8 58.7(2) . .
O9 Sr2 O8 57.5(2) . .
O7 Sr2 O8 57.8(2) . .
O12 Sr2 O8 57.6(2) . .
O6 Sr2 O8 132.0(2) . .
O31 Sr2 O8 131.2(2) . .
O14 Sr2 O8 132.4(2) . .
O18 Sr2 O8 131.5(2) . .
O23 Sr2 P1 145.27(19) . .
O9 Sr2 P1 89.11(18) . .
O7 Sr2 P1 89.37(19) . .
O12 Sr2 P1 146.18(19) . .
O6 Sr2 P1 82.42(17) . .
O31 Sr2 P1 27.33(18) . .
O14 Sr2 P1 82.22(17) . .
O18 Sr2 P1 27.50(17) . .
O8 Sr2 P1 139.67(17) . .
O23 Sr2 P2 88.81(18) . .
O9 Sr2 P2 146.11(19) . .
O7 Sr2 P2 145.61(19) . .
O12 Sr2 P2 89.39(18) . .
O6 Sr2 P2 27.19(17) . .
O31 Sr2 P2 82.80(18) . .
O14 Sr2 P2 27.13(18) . .
O18 Sr2 P2 82.63(17) . .
O8 Sr2 P2 140.11(17) . .
P1 Sr2 P2 80.22(7) . .
O23 Sr2 Mo10 38.23(18) . .
O9 Sr2 Mo10 83.08(17) . .
O7 Sr2 Mo10 82.79(18) . .
O12 Sr2 Mo10 37.42(18) . .
O6 Sr2 Mo10 105.85(17) . .
O31 Sr2 Mo10 150.83(17) . .
O14 Sr2 Mo10 105.97(17) . .
O18 Sr2 Mo10 150.58(18) . .
O8 Sr2 Mo10 31.03(16) . .
P1 Sr2 Mo10 170.69(6) . .
P2 Sr2 Mo10 109.08(6) . .
O31 P1 O18 108.3(4) . .
O31 P1 O3 111.6(5) . .
O18 P1 O3 111.0(4) . .
O31 P1 O2 109.6(4) . .
O18 P1 O2 108.8(4) . .
O3 P1 O2 107.6(4) . .
O31 P1 Sr2 54.0(3) . .
O18 P1 Sr2 54.5(3) . .
O3 P1 Sr2 124.1(3) . .
O2 P1 Sr2 128.3(3) . .
O14 P2 O6 107.7(4) . .
O14 P2 O16 111.5(5) . .
O6 P2 O16 110.4(4) . .
O14 P2 O21 110.1(4) . .
O6 P2 O21 109.8(4) . .
O16 P2 O21 107.3(4) . .
O14 P2 Sr2 54.1(3) . .
O6 P2 Sr2 53.7(3) . .
O16 P2 Sr2 124.3(3) . .
O21 P2 Sr2 128.4(3) . .
O42 P3 O23 113.2(5) . .
O42 P3 O27 109.7(5) . .
O23 P3 O27 108.5(4) . .
O42 P3 O32 109.1(5) . .
O23 P3 O32 107.1(5) . .
O27 P3 O32 109.1(5) . .
O42 P3 Sr2 144.4(3) . .
O23 P3 Sr2 32.1(3) . .
O27 P3 Sr2 85.6(3) . .
O32 P3 Sr2 94.8(3) . .
O7 P4 O56 111.3(5) . .
O7 P4 O66 111.5(5) . .
O56 P4 O66 104.4(5) . .
O7 P4 O36 109.6(5) . .
O56 P4 O36 111.1(5) . .
O66 P4 O36 108.9(5) . .
O7 P4 Sr2 34.6(3) . .
O56 P4 Sr2 87.7(3) . .
O66 P4 Sr2 144.5(4) . .
O36 P4 Sr2 97.0(3) . .
O12 P5 O71 110.8(5) . .
O12 P5 O29 110.4(5) . .
O71 P5 O29 108.4(5) . .
O12 P5 O33 108.3(5) . .
O71 P5 O33 109.2(5) . .
O29 P5 O33 109.7(5) . .
O12 P5 Sr2 34.5(3) . .
O71 P5 Sr2 144.3(4) . .
O29 P5 Sr2 86.4(3) . .
O33 P5 Sr2 95.1(3) . .
O50 P6 O28 108.0(5) . .
O50 P6 O9 111.3(5) . .
O28 P6 O9 110.1(5) . .
O50 P6 O38 110.3(5) . .
O28 P6 O38 109.7(5) . .
O9 P6 O38 107.5(5) . .
O50 P6 Sr2 143.2(3) . .
O28 P6 Sr2 85.5(3) . .
O9 P6 Sr2 33.6(3) . .
O38 P6 Sr2 96.0(3) . .
O41 Sr1 O42 85.4(3) . 2_667
O41 Sr1 O75 128.5(3) . .
O42 Sr1 O75 135.2(3) 2_667 .
O41 Sr1 O64 77.4(3) . .
O42 Sr1 O64 68.5(3) 2_667 .
O75 Sr1 O64 89.2(3) . .
O41 Sr1 O63 79.9(3) . 1_545
O42 Sr1 O63 150.5(3) 2_667 1_545
O75 Sr1 O63 72.6(3) . 1_545
O64 Sr1 O63 131.4(3) . 1_545
O41 Sr1 O76 136.4(3) . .
O42 Sr1 O76 85.8(3) 2_667 .
O75 Sr1 O76 85.4(4) . .
O64 Sr1 O76 136.8(3) . .
O63 Sr1 O76 87.4(3) 1_545 .
O41 Sr1 O58 146.3(3) . 2_667
O42 Sr1 O58 73.5(3) 2_667 2_667
O75 Sr1 O58 62.3(3) . 2_667
O64 Sr1 O58 70.5(3) . 2_667
O63 Sr1 O58 129.9(3) 1_545 2_667
O76 Sr1 O58 69.1(3) . 2_667
O41 Sr1 O77 67.1(4) . .
O42 Sr1 O77 77.8(4) 2_667 .
O75 Sr1 O77 137.7(4) . .
O64 Sr1 O77 132.4(4) . .
O63 Sr1 O77 72.9(4) 1_545 .
O76 Sr1 O77 69.2(4) . .
O58 Sr1 O77 130.4(3) 2_667 .
O41 Sr1 O19 66.4(2) . .
O42 Sr1 O19 128.8(2) 2_667 .
O75 Sr1 O19 63.0(3) . .
O64 Sr1 O19 64.3(3) . .
O63 Sr1 O19 67.3(2) 1_545 .
O76 Sr1 O19 143.8(3) . .
O58 Sr1 O19 107.0(2) 2_667 .
O77 Sr1 O19 122.5(3) . .
Mo2 O1 Mo3 170.0(5) . .
P1 O2 Mo6 127.4(4) . .
P1 O2 Mo15 119.8(4) . .
Mo6 O2 Mo15 90.6(3) . .
P1 O2 Mo1 125.9(4) . .
Mo6 O2 Mo1 93.1(3) . .
Mo15 O2 Mo1 89.3(2) . .
P1 O3 Mo8 129.2(5) . .
P1 O3 Mo16 128.6(4) . .
Mo8 O3 Mo16 94.4(3) . .
Mo5 O4 Mo12 168.8(5) . .
Mo8 O5 Mo11 171.2(5) . .
P2 O6 Mo5 130.1(5) . .
P2 O6 Sr2 99.1(4) . .
Mo5 O6 Sr2 130.6(3) . .
P4 O7 Mo9 127.7(5) . .
P4 O7 Sr2 126.0(4) . .
Mo9 O7 Sr2 97.9(3) . .
Mo10 O8 Mo9 163.8(5) . .
Mo10 O8 Sr2 97.7(3) . .
Mo9 O8 Sr2 98.5(3) . .
P6 O9 Mo9 127.4(5) . .
P6 O9 Sr2 127.2(4) . .
Mo9 O9 Sr2 99.1(3) . .
Mo16 O10 Mo18 172.4(5) . .
Mo1 O11 Mo12 149.6(5) . .
P5 O12 Mo10 129.1(5) . .
P5 O12 Sr2 126.4(4) . .
Mo10 O12 Sr2 97.1(3) . .
Mo7 O13 Mo4 117.2(4) . .
Mo7 O13 Mo13 111.4(4) . .
Mo4 O13 Mo13 111.2(4) . .
P2 O14 Mo2 130.4(5) . .
P2 O14 Sr2 98.8(4) . .
Mo2 O14 Sr2 130.7(3) . .
Mo8 O15 Mo3 158.8(5) . .
P2 O16 Mo18 129.9(5) . .
P2 O16 Mo11 127.9(4) . .
Mo18 O16 Mo11 94.7(3) . .
Mo7 O17 Mo5 149.0(5) . .
P1 O18 Mo3 130.5(4) . .
P1 O18 Sr2 98.0(4) . .
Mo3 O18 Sr2 131.1(3) . .
Mo4 O19 Sr1 141.9(4) . .
Mo14 O20 Mo6 113.3(4) . .
Mo14 O20 Mo1 111.3(4) . .
Mo6 O20 Mo1 116.5(4) . .
P2 O21 Mo4 126.3(4) . .
P2 O21 Mo7 126.9(4) . .
Mo4 O21 Mo7 92.6(3) . .
P2 O21 Mo17 120.4(4) . .
Mo4 O21 Mo17 90.1(3) . .
Mo7 O21 Mo17 89.7(3) . .
Mo5 O22 Mo18 159.4(5) . .
P3 O23 Mo10 126.5(4) . .
P3 O23 Sr2 129.3(4) . .
Mo10 O23 Sr2 97.5(3) . .
Mo15 O24 Mo8 139.9(4) . .
Mo12 O26 Mo16 159.7(5) . .
P3 O27 Mo2 137.0(5) . .
P6 O28 Mo12 137.3(5) . .
P5 O29 Mo5 135.9(5) . .
P1 O31 Mo12 130.1(5) . .
P1 O31 Sr2 98.6(4) . .
Mo12 O31 Sr2 130.9(3) . .
P3 O32 Mo4 136.4(5) . .
P3 O32 Mo13 121.9(4) . .
Mo4 O32 Mo13 98.6(3) . .
P5 O33 Mo7 136.4(5) . .
P5 O33 Mo13 121.5(4) . .
Mo7 O33 Mo13 98.7(3) . .
Mo4 O34 Mo2 147.9(4) . .
Mo11 O35 Mo2 159.7(5) . .
P4 O36 Mo6 136.1(5) . .
P4 O36 Mo14 124.0(4) . .
Mo6 O36 Mo14 98.0(3) . .
Mo6 O37 Mo3 148.7(5) . .
P6 O38 Mo1 136.5(5) . .
P6 O38 Mo14 122.9(5) . .
Mo1 O38 Mo14 98.1(3) . .
Mo14 O39 Mo9 158.0(5) . .
Mo7 O40 Mo17 123.6(4) . .
Mo13 O41 Sr1 155.9(5) . .
P3 O42 Sr1 136.3(4) . 2_667
Mo8 O43 Mo16 121.4(4) . .
Mo13 O44 Mo10 157.2(5) . .
Mo11 O45 Mo18 120.1(4) . .
Mo17 O47 Mo11 140.3(4) . .
Mo1 O51 Mo15 124.2(4) . .
Mo15 O53 Mo16 139.5(5) . .
P4 O56 Mo3 135.7(5) . .
Mo17 O57 Mo18 138.8(5) . .
Mo10 O58 Sr1 147.4(5) . 2_667
Mo4 O60 Mo17 123.7(4) . .
Mo14 O63 Sr1 159.1(5) . 1_565
Mo6 O68 Mo15 121.5(4) . .
C6 C5 N1 109.1(16) . .
N6 C9 C8 110.1(16) . .
C1 C2 N4 101.7(17) . .
N6 C7 N5 104.6(15) . .
C2 C1 N3 110.2(17) . .
C7 N6 C9 111.0(18) . .
C5 C6 N2 109.1(15) . .
N1 C4 N2 112.2(18) . .
C4 N1 C5 106.5(18) . .
C3 N3 C1 109.3(17) . .
C7 N5 C8 112.2(17) . .
C4 N2 C6 103.1(16) . .
C9 C8 N5 101.8(18) . .
N4 C3 N3 108(2) . .
C3 N4 C2 110.9(19) . .
C11 N7 C12 110.4(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C14 C15 1.31(3) .
C14 N9 1.39(3) .
C15 N8 1.45(3) .
C13 N8 1.24(3) .
C13 N9 1.30(3) .
N10 C10 1.37(2) .
N10 C12 1.37(2) .
C10 C11 1.27(2) .
C12 N7 1.36(3) .
C11 N7 1.25(3) .
Mo1 O54 1.674(8) .
Mo1 O11 1.787(8) .
Mo1 O51 1.805(8) .
Mo1 O20 2.057(8) .
Mo1 O38 2.132(8) .
Mo1 O2 2.431(8) .
Mo2 O55 1.692(8) .
Mo2 O1 1.859(8) .
Mo2 O35 1.887(8) .
Mo2 O27 2.039(8) .
Mo2 O34 2.043(8) .
Mo2 O14 2.219(8) .
Mo3 O67 1.670(9) .
Mo3 O1 1.871(8) .
Mo3 O15 1.890(8) .
Mo3 O37 2.045(8) .
Mo3 O56 2.071(8) .
Mo3 O18 2.193(8) .
Mo4 O19 1.693(7) .
Mo4 O34 1.781(8) .
Mo4 O60 1.808(8) .
Mo4 O13 2.049(8) .
Mo4 O32 2.114(8) .
Mo4 O21 2.410(8) .
Mo5 O46 1.687(8) .
Mo5 O4 1.868(8) .
Mo5 O22 1.877(8) .
Mo5 O17 2.037(8) .
Mo5 O29 2.077(8) .
Mo5 O6 2.216(8) .
Mo6 O25 1.699(8) .
Mo6 O68 1.780(8) .
Mo6 O37 1.782(8) .
Mo6 O20 2.045(8) .
Mo6 O36 2.153(8) .
Mo6 O2 2.373(8) .
Mo7 O62 1.674(8) .
Mo7 O17 1.792(8) .
Mo7 O40 1.802(8) .
Mo7 O13 2.037(8) .
Mo7 O33 2.142(8) .
Mo7 O21 2.414(8) .
Mo8 O74 1.686(8) .
Mo8 O5 1.873(8) .
Mo8 O15 1.882(8) .
Mo8 O43 1.913(8) .
Mo8 O24 2.093(8) .
Mo8 O3 2.288(8) .
Mo9 O70 1.692(8) .
Mo9 O72 1.711(9) .
Mo9 O8 1.923(8) .
Mo9 O39 1.967(8) .
Mo9 O9 2.233(8) .
Mo9 O7 2.278(8) .
Mo9 Sr2 3.6731(15) .
Mo10 O58 1.695(8) .
Mo10 O30 1.705(8) .
Mo10 O8 1.890(8) .
Mo10 O44 2.005(8) .
Mo10 O12 2.224(8) .
Mo10 O23 2.267(8) .
Mo10 Sr2 3.6324(14) .
Mo11 O59 1.700(8) .
Mo11 O35 1.879(8) .
Mo11 O5 1.889(8) .
Mo11 O45 1.942(9) .
Mo11 O47 2.094(8) .
Mo11 O16 2.313(8) .
Mo12 O69 1.686(9) .
Mo12 O4 1.877(8) .
Mo12 O26 1.878(8) .
Mo12 O11 2.024(8) .
Mo12 O28 2.046(8) .
Mo12 O31 2.218(8) .
Mo13 O49 1.703(9) .
Mo13 O41 1.735(8) .
Mo13 O44 1.826(8) .
Mo13 O13 2.052(8) .
Mo13 O33 2.306(8) .
Mo13 O32 2.343(8) .
Mo14 O52 1.690(8) .
Mo14 O63 1.715(9) .
Mo14 O39 1.852(8) .
Mo14 O20 2.042(8) .
Mo14 O38 2.345(8) .
Mo14 O36 2.366(8) .
Mo15 O65 1.694(8) .
Mo15 O53 1.801(9) .
Mo15 O24 1.808(8) .
Mo15 O51 2.051(8) .
Mo15 O68 2.122(9) .
Mo15 O2 2.423(8) .
Mo16 O73 1.670(9) .
Mo16 O10 1.872(8) .
Mo16 O26 1.882(8) .
Mo16 O43 1.954(8) .
Mo16 O53 2.100(8) .
Mo16 O3 2.308(8) .
Mo17 O48 1.663(9) .
Mo17 O57 1.805(8) .
Mo17 O47 1.814(8) .
Mo17 O40 2.073(8) .
Mo17 O60 2.074(8) .
Mo17 O21 2.429(8) .
Mo18 O61 1.658(9) .
Mo18 O10 1.874(8) .
Mo18 O22 1.885(8) .
Mo18 O45 1.957(8) .
Mo18 O57 2.123(8) .
Mo18 O16 2.282(8) .
Sr2 O23 2.557(8) .
Sr2 O9 2.586(8) .
Sr2 O7 2.587(8) .
Sr2 O12 2.609(8) .
Sr2 O6 2.673(8) .
Sr2 O31 2.678(8) .
Sr2 O14 2.683(8) .
Sr2 O18 2.688(8) .
Sr2 O8 2.860(8) .
Sr2 P1 3.271(3) .
Sr2 P2 3.273(3) .
P1 O31 1.519(8) .
P1 O18 1.525(8) .
P1 O3 1.536(8) .
P1 O2 1.581(8) .
P2 O14 1.510(9) .
P2 O6 1.515(8) .
P2 O16 1.530(8) .
P2 O21 1.580(8) .
P3 O42 1.501(8) .
P3 O23 1.529(8) .
P3 O27 1.549(9) .
P3 O32 1.581(8) .
P4 O7 1.518(9) .
P4 O56 1.518(8) .
P4 O66 1.538(10) .
P4 O36 1.550(8) .
P5 O12 1.508(8) .
P5 O71 1.521(9) .
P5 O29 1.536(8) .
P5 O33 1.574(8) .
P6 O50 1.524(8) .
P6 O28 1.532(9) .
P6 O9 1.533(8) .
P6 O38 1.571(9) .
Sr1 O41 2.545(8) .
Sr1 O42 2.554(8) 2_667
Sr1 O75 2.588(11) .
Sr1 O64 2.603(9) .
Sr1 O63 2.620(9) 1_545
Sr1 O76 2.660(12) .
Sr1 O58 2.665(9) 2_667
Sr1 O77 2.694(12) .
Sr1 O19 2.959(8) .
O42 Sr1 2.555(8) 2_667
O58 Sr1 2.665(9) 2_667
O63 Sr1 2.619(9) 1_565
C5 C6 1.29(2) .
C5 N1 1.33(2) .
C9 N6 1.320(19) .
C9 C8 1.33(2) .
C2 C1 1.29(2) .
C2 N4 1.43(3) .
C7 N6 1.28(2) .
C7 N5 1.33(3) .
C1 N3 1.34(2) .
C6 N2 1.36(2) .
C4 N1 1.28(2) .
C4 N2 1.34(2) .
N3 C3 1.28(3) .
N5 C8 1.36(2) .
C3 N4 1.25(3) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N10 H10 O45 0.86 2.30 3.06(2) 148.7 .
O1W H1WA O3W 0.85 2.20 2.97(2) 150.7 .
O3W H3WA O4W 0.85 2.30 2.88(2) 126.5 .
O6W H6WA O66 0.85 1.73 2.278(9) 120.3 .
O4W H4WA O5W 0.85 2.22 2.713(16) 116.8 .
N1 H1A O55 0.86 2.51 3.12(2) 128.4 .
N8 H8 O57 0.86 2.11 2.93(2) 160.3 2_566
N8 H8 O40 0.86 2.58 3.20(2) 129.8 2_566
O8W H8WA O77 0.85 2.54 3.29(3) 146.7 1_554
O8W H8WA O49 0.85 2.61 3.10(2) 118.3 1_554
O8W H8WB O2W 0.85 2.09 2.93(3) 173.6 1_454
O7W H7WA O76 0.85 2.22 2.78(2) 123.4 1_554
O7W H7WB O77 0.85 2.12 2.87(2) 146.9 1_554
O1W H1WB O72 0.85 2.62 3.102(17) 116.9 2_667
O3W H3WB O71 0.85 2.14 2.599(17) 113.7 1_655
O2W H2WA O71 0.85 2.17 2.825(17) 133.9 1_655
O2W H2WB O8W 0.85 2.36 2.93(3) 125.7 1_656
O6W H6WB O76 0.85 1.81 2.388(12) 124.1 2_667
O4W H4WB O62 0.85 2.22 3.017(15) 156.6 1_655
O5W H5WA N7 0.85 2.61 3.25(3) 133.5 2_666
O76 H76A O72 0.85 2.73 3.242(15) 120.4 2_667
N6 H6 O62 0.86 2.61 3.107(18) 118.3 1_665
N4 H4A O28 0.86 2.62 3.28(3) 134.2 1_655
