#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:30:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180042 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/36/7033664.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_7033664
loop_
_publ_author_name
'Schwarz, Benjamin'
'Streb, Carsten'
_publ_section_title
;
 Architectural control of urea in supramolecular 1D strontium vanadium
 oxide chains.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4195
_journal_page_last               4199
_journal_paper_doi               10.1039/c4dt03691c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         '2(Sr), O28 V10, 4(C H4 N2 O), 5(C3 H7 N O)'
_chemical_formula_sum            'C19 H51 N13 O37 Sr2 V10'
_chemical_formula_weight         1738.36
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2014-04-15
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_audit_update_record
;
2014-10-05 deposited with the CCDC.
2015-01-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.681(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8044(5)
_cell_length_b                   23.2995(14)
_cell_length_c                   22.2340(11)
_cell_measurement_temperature    150(2)
_cell_volume                     5500.1(5)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.091
_diffrn_detector_type            'Full frame scientific grade 1'
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Nonius KappaCCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0259
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            38057
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.501
_diffrn_reflns_theta_min         6.235
_diffrn_source                   'normal-focus sealed tube'
_diffrn_source_target            Mo
_exptl_absorpt_coefficient_mu    3.644
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0725 before and 0.0471 after correction.
The Ratio of minimum to maximum transmission is 0.8461.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_density_diffrn    2.099
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.688
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.060
_refine_ls_abs_structure_details
;
 Flack x determined using 4713 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0033(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         10852
_refine_ls_number_restraints     652
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0198
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0226P)²+4.3025P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0458
_refine_ls_wR_factor_ref         0.0467
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.984
_reflns_Friedel_fraction_max     0.986
_reflns_number_gt                10292
_reflns_number_total             10852
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt03691c2.cif
_cod_data_source_block           cc
_cod_depositor_comments
'Adding full bibliography for 7033663--7033664.cif.'
_cod_database_code               7033664
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014-1
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1.7A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C40) \\sim Ueq, Uanis(C27) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C40) \\sim Ueq, Uanis(C27) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C23(H23), C8(H8), C3(H3), C5(H5)
4.b X=CH2 refined with riding coordinates:
 N1(H1a,H1b), N3(H3a,H3b), N4(H4d,H4e), N5(H5a,H5b), N7(H7d,H7e), N8(H8a,H8b),
 N6(H6d,H6e), N9(H9d,H9e)
4.c Idealised Me refined as rotating group:
 C18(H18a,H18b,H18c), C22(H22a,H22b,H22c), C27(H27a,H27b,H27c), C40(H40a,H40b,
 H40c), C2(H2a,H2b,H2c), C13(H13a,H13b,H13c), C7(H7a,H7b,H7c), C4(H4a,H4b,H4c),
 C6(H6a,H6b,H6c), C9(H9a,H9b,H9c)
;
#END Tags that were not found in dictionaries
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'
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
Sr1 Sr 0.30910(3) 0.18083(2) 0.37950(2) 0.01231(8) Uani 1 1 d . U
Sr2 Sr 0.16508(3) 0.09383(2) 0.22528(2) 0.01221(8) Uani 1 1 d . U
V3 V -0.02762(6) -0.10575(3) 0.22363(3) 0.00965(14) Uani 1 1 d . U
V4 V 0.14027(6) -0.22951(3) 0.36936(3) 0.01135(14) Uani 1 1 d . U
V5 V -0.00905(6) -0.11700(3) 0.37357(3) 0.00965(13) Uani 1 1 d . U
V6 V 0.39324(6) 0.27991(3) 0.27527(3) 0.01059(14) Uani 1 1 d . U
V7 V 0.07009(6) -0.00242(3) 0.32179(3) 0.01019(13) Uani 1 1 d . U
V8 V -0.27692(6) -0.10818(3) 0.27264(3) 0.01178(14) Uani 1 1 d . U
V9 V -0.18538(6) -0.01154(3) 0.36583(3) 0.01316(15) Uani 1 1 d . U
V10 V 0.24072(6) -0.11393(3) 0.32608(3) 0.01062(14) Uani 1 1 d . U
V11 V 0.65080(6) 0.28980(3) 0.23238(3) 0.01219(14) Uani 1 1 d . U
V12 V -0.17808(6) 0.00640(3) 0.22797(3) 0.01205(14) Uani 1 1 d . U
O1 O -0.1665(3) -0.16152(11) 0.33774(12) 0.0105(6) Uani 1 1 d . U
O2 O 0.1304(2) -0.06142(11) 0.25970(12) 0.0105(6) Uani 1 1 d . U
O3 O -0.1688(2) -0.15175(12) 0.22625(12) 0.0110(5) Uani 1 1 d . U
O4 O -0.0863(2) -0.06461(12) 0.29653(12) 0.0111(6) Uani 1 1 d . U
O5 O -0.2322(3) 0.03261(12) 0.29522(13) 0.0143(6) Uani 1 1 d . U
O6 O -0.0161(3) 0.03368(11) 0.25147(13) 0.0127(6) Uani 1 1 d . U
O7 O -0.0851(3) -0.07344(12) 0.41556(12) 0.0132(6) Uani 1 1 d . U
O8 O 0.0494(3) -0.14892(12) 0.18167(12) 0.0137(6) Uani 1 1 d . U
O9 O 0.2654(3) 0.24221(12) 0.26364(13) 0.0159(6) Uani 1 1 d . U
O10 O 0.0584(3) -0.16983(12) 0.41894(12) 0.0126(6) Uani 1 1 d . U
O11 O 0.4845(3) 0.25435(12) 0.22446(13) 0.0134(6) Uani 1 1 d . U
O12 O 0.0505(2) -0.15784(11) 0.30076(12) 0.0095(5) Uani 1 1 d . U
O13 O -0.3089(2) -0.05282(12) 0.21858(13) 0.0141(6) Uani 1 1 d . U
O14 O 0.1320(3) -0.07056(11) 0.37140(12) 0.0100(5) Uani 1 1 d . U
O17 O -0.3040(3) -0.06501(12) 0.33991(13) 0.0141(6) Uani 1 1 d . U
O18 O 0.4805(2) 0.24327(11) 0.34487(12) 0.0118(6) Uani 1 1 d . U
O19 O 0.2714(2) -0.17015(11) 0.37880(13) 0.0122(6) Uani 1 1 d . U
O20 O 0.1970(3) -0.25526(12) 0.30213(13) 0.0132(6) Uani 1 1 d . U
O21 O 0.1992(3) 0.03491(12) 0.33103(13) 0.0139(6) Uani 1 1 d . U
O22 O 0.2694(3) -0.15691(12) 0.25850(13) 0.0128(6) Uani 1 1 d . U
O23 O -0.4003(3) -0.14816(13) 0.26076(13) 0.0160(6) Uani 1 1 d . U
O24 O 0.2022(3) -0.27251(13) 0.42283(14) 0.0179(7) Uani 1 1 d . U
O25 O -0.0949(3) -0.05306(12) 0.17776(13) 0.0126(6) Uani 1 1 d . U
O28 O 0.3641(3) -0.07407(13) 0.33901(13) 0.0152(6) Uani 1 1 d . U
O30 O 0.7079(3) 0.25553(13) 0.18145(14) 0.0205(7) Uani 1 1 d . U
O33 O -0.2415(3) 0.04888(13) 0.17481(13) 0.0183(6) Uani 1 1 d . U
O34 O -0.2406(3) 0.02282(14) 0.41701(14) 0.0219(7) Uani 1 1 d . U
O15 O -0.0186(3) 0.02416(11) 0.37276(12) 0.0123(6) Uani 1 1 d . U
O16 O 0.2501(3) -0.00186(13) 0.18821(13) 0.0154(6) Uani 1 1 d . U
O1A O 0.3699(3) 0.12171(12) 0.29229(13) 0.0145(6) Uani 1 1 d . U
O1B O 0.1011(3) 0.15761(12) 0.30496(13) 0.0154(6) Uani 1 1 d . U
O1C O 0.2874(3) 0.12404(13) 0.14411(13) 0.0214(7) Uani 1 1 d . U
O1D O 0.1597(3) 0.14168(14) 0.44704(15) 0.0239(7) Uani 1 1 d . U
C10 C -0.0038(4) 0.18377(17) 0.3008(2) 0.0147(8) Uani 1 1 d . U
C11 C 0.4722(4) 0.09427(17) 0.2938(2) 0.0148(9) Uani 1 1 d . U
C16 C 0.1606(5) 0.0912(2) 0.4641(2) 0.0222(10) Uani 1 1 d . U
H16 H 0.2068 0.0646 0.4446 0.027 Uiso 1 1 calc R .
C17 C 0.3599(4) -0.01737(18) 0.18164(18) 0.0153(8) Uani 1 1 d . U
N1 N 0.4030(4) -0.06994(17) 0.19578(18) 0.0212(8) Uani 1 1 d . U
H1A H 0.3553 -0.0952 0.2101 0.025 Uiso 1 1 calc R .
H1B H 0.4792 -0.0795 0.1908 0.025 Uiso 1 1 calc R .
N3 N 0.4780(3) 0.03810(14) 0.30714(17) 0.0184(8) Uani 1 1 d . U
H3A H 0.4110 0.0202 0.3149 0.022 Uiso 1 1 calc R .
H3B H 0.5488 0.0192 0.3082 0.022 Uiso 1 1 calc R .
N4 N -0.1037(3) 0.15757(16) 0.3144(2) 0.0253(9) Uani 1 1 d . U
H4D H -0.0984 0.1216 0.3265 0.030 Uiso 1 1 calc R .
H4E H -0.1755 0.1762 0.3113 0.030 Uiso 1 1 calc R .
N5 N 0.5725(4) 0.12021(17) 0.2804(2) 0.0286(10) Uani 1 1 d . U
H5A H 0.5689 0.1568 0.2704 0.034 Uiso 1 1 calc R .
H5B H 0.6429 0.1009 0.2816 0.034 Uiso 1 1 calc R .
N7 N 0.4350(4) 0.01886(17) 0.15781(18) 0.0239(9) Uani 1 1 d . U
H7D H 0.4084 0.0536 0.1466 0.029 Uiso 1 1 calc R .
H7E H 0.5107 0.0078 0.1534 0.029 Uiso 1 1 calc R .
N8 N -0.0147(3) 0.23846(15) 0.28216(17) 0.0180(8) Uani 1 1 d . U
H8A H 0.0506 0.2565 0.2727 0.022 Uiso 1 1 calc R .
H8B H -0.0873 0.2564 0.2793 0.022 Uiso 1 1 calc R .
N12 N 0.1030(5) 0.0707(2) 0.50720(19) 0.0379(12) Uani 1 1 d . U
N15 N 0.3456(4) 0.19008(17) 0.07979(17) 0.0229(8) Uani 1 1 d . U
C18 C 0.3893(5) 0.2487(2) 0.0702(2) 0.0321(11) Uani 1 1 d . U
H18A H 0.4733 0.2470 0.0596 0.048 Uiso 1 1 calc GR .
H18B H 0.3930 0.2711 0.1078 0.048 Uiso 1 1 calc GR .
H18C H 0.3306 0.2670 0.0368 0.048 Uiso 1 1 calc GR .
C22 C 0.3295(5) 0.1513(2) 0.0275(2) 0.0328(11) Uani 1 1 d . U
H22A H 0.2619 0.1656 -0.0046 0.049 Uiso 1 1 calc GR .
H22B H 0.3077 0.1130 0.0402 0.049 Uiso 1 1 calc GR .
H22C H 0.4082 0.1494 0.0116 0.049 Uiso 1 1 calc GR .
C23 C 0.3227(4) 0.1733(2) 0.1332(2) 0.0222(10) Uani 1 1 d . U
H23 H 0.3339 0.2005 0.1656 0.027 Uiso 1 1 calc R .
C27 C 0.1032(7) 0.0098(3) 0.5208(3) 0.0509(15) Uani 1 1 d . U
H27A H 0.1534 -0.0107 0.4952 0.076 Uiso 1 1 calc GR .
H27B H 0.0166 -0.0048 0.5124 0.076 Uiso 1 1 calc GR .
H27C H 0.1398 0.0036 0.5641 0.076 Uiso 1 1 calc GR .
C40 C 0.0190(9) 0.1098(4) 0.5339(4) 0.080(2) Uani 1 1 d . U
H40A H 0.0526 0.1489 0.5354 0.120 Uiso 1 1 calc GR .
H40B H 0.0143 0.0970 0.5754 0.120 Uiso 1 1 calc GR .
H40C H -0.0655 0.1092 0.5085 0.120 Uiso 1 1 calc GR .
O1E O -0.0009(3) 0.14011(15) 0.15249(15) 0.0320(8) Uani 1 1 d . U
N2 N -0.1817(4) 0.14832(17) 0.08403(17) 0.0247(9) Uani 1 1 d . U
C8 C -0.1146(4) 0.15211(19) 0.1392(2) 0.0255(10) Uani 1 1 d . U
H8 H -0.1554 0.1648 0.1712 0.031 Uiso 1 1 calc R .
O1F O 0.2012(3) 0.27611(13) 0.40052(13) 0.0160(6) Uani 1 1 d . U
O1G O 0.4442(3) 0.10109(14) 0.43119(15) 0.0301(8) Uani 1 1 d . U
O1H O 0.4223(3) 0.22414(15) 0.47685(14) 0.0321(8) Uani 1 1 d . U
N6 N 0.0183(4) 0.25375(17) 0.43160(17) 0.0216(8) Uani 1 1 d . U
H6D H 0.0429 0.2179 0.4384 0.026 Uiso 1 1 calc R .
H6E H -0.0557 0.2647 0.4385 0.026 Uiso 1 1 calc R .
C1 C 0.0940(4) 0.29166(19) 0.41062(18) 0.0157(9) Uani 1 1 d . U
C2 C -0.1317(6) 0.1275(2) 0.0323(2) 0.0392(12) Uani 1 1 d . U
H2A H -0.0408 0.1213 0.0445 0.059 Uiso 1 1 calc GR .
H2B H -0.1475 0.1558 -0.0008 0.059 Uiso 1 1 calc GR .
H2C H -0.1728 0.0912 0.0181 0.059 Uiso 1 1 calc GR .
C13 C -0.3176(5) 0.1590(3) 0.0737(3) 0.0499(17) Uani 1 1 d . U
H13A H -0.3629 0.1241 0.0579 0.075 Uiso 1 1 calc GR .
H13B H -0.3388 0.1901 0.0438 0.075 Uiso 1 1 calc GR .
H13C H -0.3422 0.1701 0.1124 0.075 Uiso 1 1 calc GR .
N9 N 0.0553(4) 0.34615(16) 0.40387(17) 0.0197(8) Uani 1 1 d . U
H9D H 0.1044 0.3724 0.3921 0.024 Uiso 1 1 calc R .
H9E H -0.0193 0.3558 0.4111 0.024 Uiso 1 1 calc R .
N10 N 0.5725(4) 0.0491(2) 0.50281(18) 0.0351(10) Uani 1 1 d . U
C3 C 0.5390(5) 0.0962(2) 0.4705(2) 0.0304(11) Uani 1 1 d . U
H3 H 0.5928 0.1287 0.4785 0.037 Uiso 1 1 calc R .
N11 N 0.4846(4) 0.20967(19) 0.57684(18) 0.0342(10) Uani 1 1 d . U
C5 C 0.4939(5) 0.2321(2) 0.5243(2) 0.0301(11) Uani 1 1 d . U
H5 H 0.5633 0.2569 0.5233 0.036 Uiso 1 1 calc R .
C7 C 0.3764(7) 0.1739(3) 0.5821(3) 0.0618(19) Uani 1 1 d . U
H7A H 0.3216 0.1703 0.5419 0.093 Uiso 1 1 calc GR .
H7B H 0.3292 0.1916 0.6109 0.093 Uiso 1 1 calc GR .
H7C H 0.4055 0.1358 0.5971 0.093 Uiso 1 1 calc GR .
C4 C 0.5041(7) -0.0038(3) 0.4876(4) 0.0628(19) Uani 1 1 d . U
H4A H 0.4680 -0.0165 0.5227 0.094 Uiso 1 1 calc GR .
H4B H 0.5616 -0.0333 0.4775 0.094 Uiso 1 1 calc GR .
H4C H 0.4362 0.0025 0.4524 0.094 Uiso 1 1 calc GR .
C6 C 0.6851(6) 0.0471(4) 0.5501(3) 0.0601(19) Uani 1 1 d . U
H6A H 0.7426 0.0177 0.5396 0.090 Uiso 1 1 calc GR .
H6B H 0.6618 0.0375 0.5895 0.090 Uiso 1 1 calc GR .
H6C H 0.7269 0.0846 0.5532 0.090 Uiso 1 1 calc GR .
C9 C 0.5798(8) 0.2181(4) 0.6325(3) 0.072(2) Uani 1 1 d . U
H9A H 0.6214 0.1814 0.6449 0.108 Uiso 1 1 calc GR .
H9B H 0.5391 0.2324 0.6654 0.108 Uiso 1 1 calc GR .
H9C H 0.6425 0.2460 0.6244 0.108 Uiso 1 1 calc GR .
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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
V6 Sr1 Sr2 82.859(14) . .
O9 Sr1 Sr2 61.37(6) . .
O9 Sr1 V6 27.18(5) . .
O9 Sr1 C16 140.85(10) . .
O18 Sr1 Sr2 102.38(6) . .
O18 Sr1 V6 31.16(6) . .
O18 Sr1 O9 57.74(8) . .
O18 Sr1 O1B 120.80(9) . .
O18 Sr1 C16 161.40(10) . .
O18 Sr1 O1F 86.71(9) . .
O1A Sr1 Sr2 36.85(6) . .
O1A Sr1 V6 73.72(7) . .
O1A Sr1 O9 67.43(9) . .
O1A Sr1 O18 77.22(9) . .
O1A Sr1 O1B 73.56(8) . .
O1A Sr1 O1D 121.93(10) . .
O1A Sr1 C16 107.56(10) . .
O1A Sr1 O1F 141.70(9) . .
O1B Sr1 Sr2 36.86(6) . .
O1B Sr1 V6 90.87(7) . .
O1B Sr1 O9 63.69(9) . .
O1B Sr1 C16 77.50(10) . .
O1D Sr1 Sr2 97.65(7) . .
O1D Sr1 V6 152.65(7) . .
O1D Sr1 O9 132.58(9) . .
O1D Sr1 O18 159.72(9) . .
O1D Sr1 O1B 74.63(10) . .
O1D Sr1 C16 17.66(11) . .
O1D Sr1 O1F 81.15(10) . .
C16 Sr1 Sr2 90.83(8) . .
C16 Sr1 V6 167.14(8) . .
O1F Sr1 Sr2 117.90(6) . .
O1F Sr1 V6 74.67(6) . .
O1F Sr1 O9 74.56(8) . .
O1F Sr1 O1B 85.88(9) . .
O1F Sr1 C16 98.73(11) . .
O1G Sr1 Sr2 96.73(8) . .
O1G Sr1 V6 126.20(8) . .
O1G Sr1 O9 139.12(9) . .
O1G Sr1 O18 99.53(10) . .
O1G Sr1 O1A 74.89(10) . .
O1G Sr1 O1B 120.07(10) . .
O1G Sr1 O1D 81.04(11) . .
O1G Sr1 C16 65.55(12) . .
O1G Sr1 O1F 142.75(10) . .
O1H Sr1 Sr2 171.86(8) . .
O1H Sr1 V6 99.30(8) . .
O1H Sr1 O9 122.89(10) . .
O1H Sr1 O18 76.54(10) . .
O1H Sr1 O1A 136.17(10) . .
O1H Sr1 O1B 150.20(10) . .
O1H Sr1 O1D 84.06(11) . .
O1H Sr1 C16 88.52(11) . .
O1H Sr1 O1F 70.21(10) . .
O1H Sr1 O1G 75.62(11) . .
V7 Sr2 Sr1 84.773(15) . .
V7 Sr2 C10 80.96(7) . .
O6 Sr2 Sr1 105.79(6) . .
O6 Sr2 V7 32.92(6) . .
O6 Sr2 O21 60.56(8) . .
O6 Sr2 O16 86.14(9) . .
O6 Sr2 C10 73.95(9) . .
O6 Sr2 C11 128.77(9) . .
O21 Sr2 Sr1 62.93(6) . .
O21 Sr2 V7 28.07(6) . .
O21 Sr2 C10 83.27(9) . .
O21 Sr2 C11 69.13(10) . .
O16 Sr2 Sr1 126.57(7) . .
O16 Sr2 V7 78.46(7) . .
O16 Sr2 O21 80.81(9) . .
O16 Sr2 C10 158.89(10) . .
O16 Sr2 C11 76.77(9) . .
O1A Sr2 Sr1 37.67(6) . .
O1A Sr2 V7 97.60(7) . .
O1A Sr2 O6 129.25(9) . .
O1A Sr2 O21 69.54(9) . .
O1A Sr2 O16 94.91(9) . .
O1A Sr2 O1C 80.32(9) . .
O1A Sr2 C10 92.40(9) . .
O1A Sr2 C11 18.28(9) . .
O1B Sr2 Sr1 38.32(6) . .
O1B Sr2 V7 77.84(7) . .
O1B Sr2 O6 80.85(9) . .
O1B Sr2 O21 72.28(9) . .
O1B Sr2 O16 153.09(9) . .
O1B Sr2 O1A 75.84(9) . .
O1B Sr2 O1C 126.10(10) . .
O1B Sr2 C10 17.54(9) . .
O1B Sr2 C11 93.20(9) . .
O1C Sr2 Sr1 107.24(7) . .
O1C Sr2 V7 153.62(7) . .
O1C Sr2 O6 146.94(9) . .
O1C Sr2 O21 139.62(9) . .
O1C Sr2 O16 75.55(10) . .
O1C Sr2 C10 125.29(10) . .
O1C Sr2 C11 73.84(10) . .
C10 Sr2 Sr1 55.38(7) . .
C11 Sr2 Sr1 54.90(7) . .
C11 Sr2 V7 95.95(8) . .
C11 Sr2 C10 110.20(10) . .
O1E Sr2 Sr1 117.56(9) . .
O1E Sr2 V7 116.21(8) . .
O1E Sr2 O6 83.89(10) . .
O1E Sr2 O21 140.59(10) . .
O1E Sr2 O16 115.39(11) . .
O1E Sr2 O1A 137.65(11) . .
O1E Sr2 O1B 86.64(11) . .
O1E Sr2 O1C 79.64(11) . .
O1E Sr2 C10 70.12(11) . .
O1E Sr2 C11 146.94(11) . .
V6 V3 V11 60.57(2) 3_445 3_445
O2 V3 V6 124.31(8) . 3_445
O2 V3 V11 84.65(8) . 3_445
O2 V3 O4 79.23(11) . .
O2 V3 O12 78.12(11) . .
O3 V3 V6 37.89(8) . 3_445
O3 V3 V11 92.83(9) . 3_445
O3 V3 O2 155.35(11) . .
O3 V3 O4 82.64(11) . .
O3 V3 O12 81.56(11) . .
O4 V3 V6 87.84(8) . 3_445
O4 V3 V11 126.22(8) . 3_445
O4 V3 O12 76.66(10) . .
O8 V3 V6 83.71(10) . 3_445
O8 V3 V11 36.98(9) . 3_445
O8 V3 O2 93.26(13) . .
O8 V3 O3 99.41(13) . .
O8 V3 O4 162.85(12) . .
O8 V3 O12 86.76(12) . .
O12 V3 V6 46.20(7) . 3_445
O12 V3 V11 49.79(7) . 3_445
O25 V3 V6 137.85(10) . 3_445
O25 V3 V11 144.29(11) . 3_445
O25 V3 O2 96.09(12) . .
O25 V3 O3 100.05(13) . .
O25 V3 O4 88.63(13) . .
O25 V3 O8 107.61(14) . .
O25 V3 O12 164.92(13) . .
V6 V4 V11 60.49(2) 3_445 3_445
O10 V4 V6 84.94(8) . 3_445
O10 V4 V11 121.47(8) . 3_445
O10 V4 O12 72.69(10) . .
O12 V4 V6 46.04(7) . 3_445
O12 V4 V11 49.04(7) . 3_445
O18 V4 V6 33.81(8) 3_445 3_445
O18 V4 V11 87.85(9) 3_445 3_445
O18 V4 O10 85.31(12) 3_445 .
O18 V4 O12 78.42(11) 3_445 .
O18 V4 O19 154.26(12) 3_445 .
O19 V4 V6 122.69(8) . 3_445
O19 V4 V11 81.12(8) . 3_445
O19 V4 O10 80.86(12) . .
O19 V4 O12 76.78(11) . .
O20 V4 V6 81.19(9) . 3_445
O20 V4 V11 33.05(9) . 3_445
O20 V4 O10 154.24(12) . .
O20 V4 O12 82.08(11) . .
O20 V4 O18 94.85(13) . 3_445
O20 V4 O19 88.50(12) . .
O24 V4 V6 137.63(12) . 3_445
O24 V4 V11 137.10(12) . 3_445
O24 V4 O10 100.70(14) . .
O24 V4 O12 172.80(14) . .
O24 V4 O18 104.24(14) . 3_445
O24 V4 O19 99.61(14) . .
O24 V4 O20 104.19(15) . .
O1 V5 O4 78.63(11) . .
O1 V5 O12 79.51(11) . .
O7 V5 O1 93.78(13) . .
O7 V5 O4 86.69(12) . .
O7 V5 O12 162.96(12) . .
O7 V5 O14 98.51(13) . .
O10 V5 O1 95.78(13) . .
O10 V5 O4 164.61(13) . .
O10 V5 O7 108.11(14) . .
O10 V5 O12 88.25(13) . .
O10 V5 O14 100.07(13) . .
O12 V5 O4 76.67(10) . .
O14 V5 O1 155.77(12) . .
O14 V5 O4 81.32(11) . .
O14 V5 O12 82.76(12) . .
V3 V6 Sr1 159.73(3) 3 .
V4 V6 Sr1 78.60(2) 3 .
V4 V6 V3 92.83(2) 3 3
O1 V6 Sr1 81.02(7) 3 .
O1 V6 V3 80.08(8) 3 3
O1 V6 V4 86.09(8) 3 3
O1 V6 O12 74.09(10) 3 3
O3 V6 Sr1 142.38(8) 3 .
O3 V6 V3 35.63(8) 3 3
O3 V6 V4 126.51(8) 3 3
O3 V6 O1 74.38(11) 3 3
O3 V6 O12 77.29(10) 3 3
O9 V6 Sr1 55.24(10) . .
O9 V6 V3 134.22(11) . 3
O9 V6 V4 132.63(11) . 3
O9 V6 O1 95.70(13) . 3
O9 V6 O3 99.06(13) . 3
O9 V6 O11 106.32(14) . .
O9 V6 O12 169.72(13) . 3
O9 V6 O18 99.75(14) . .
O11 V6 Sr1 116.87(9) . .
O11 V6 V3 79.86(9) . 3
O11 V6 V4 83.81(9) . 3
O11 V6 O1 157.02(12) . 3
O11 V6 O3 95.33(12) . 3
O11 V6 O12 83.70(12) . 3
O11 V6 O18 97.03(13) . .
O12 V6 Sr1 122.66(7) 3 .
O12 V6 V3 44.00(7) 3 3
O12 V6 V4 49.36(7) 3 3
O18 V6 Sr1 45.80(8) . .
O18 V6 V3 124.94(9) . 3
O18 V6 V4 33.03(8) . 3
O18 V6 O1 85.39(11) . 3
O18 V6 O3 153.55(12) . 3
O18 V6 O12 80.93(11) . 3
O2 V7 Sr2 81.50(7) . .
O2 V7 O4 74.04(10) . .
O4 V7 Sr2 125.27(7) . .
O6 V7 Sr2 48.25(8) . .
O6 V7 O2 85.01(11) . .
O6 V7 O4 81.01(11) . .
O6 V7 O14 153.41(12) . .
O14 V7 Sr2 140.62(8) . .
O14 V7 O2 74.43(11) . .
O14 V7 O4 77.29(11) . .
O21 V7 Sr2 51.13(10) . .
O21 V7 O2 93.94(13) . .
O21 V7 O4 167.98(13) . .
O21 V7 O6 98.52(13) . .
O21 V7 O14 99.52(13) . .
O21 V7 O15 107.02(14) . .
O15 V7 Sr2 116.57(9) . .
O15 V7 O2 158.07(12) . .
O15 V7 O4 84.89(12) . .
O15 V7 O6 97.85(13) . .
O15 V7 O14 95.35(12) . .
O1 V8 O4 74.26(10) . .
O3 V8 O1 74.97(11) . .
O3 V8 O4 75.72(11) . .
O13 V8 O1 157.07(12) . .
O13 V8 O3 94.61(12) . .
O13 V8 O4 83.46(11) . .
O13 V8 O17 96.46(13) . .
O17 V8 O1 85.44(12) . .
O17 V8 O3 152.75(12) . .
O17 V8 O4 80.90(11) . .
O23 V8 O1 96.79(13) . .
O23 V8 O3 99.74(14) . .
O23 V8 O4 170.68(13) . .
O23 V8 O13 105.18(14) . .
O23 V8 O17 101.25(14) . .
O5 V9 O4 79.99(11) . .
O5 V9 O7 153.31(12) . .
O5 V9 O15 86.24(12) . .
O7 V9 O4 73.85(10) . .
O17 V9 O4 79.19(11) . .
O17 V9 O5 92.63(13) . .
O17 V9 O7 87.65(12) . .
O17 V9 O15 154.77(13) . .
O34 V9 O4 174.72(14) . .
O34 V9 O5 104.14(15) . .
O34 V9 O7 101.70(14) . .
O34 V9 O17 103.71(15) . .
O34 V9 O15 100.99(14) . .
O15 V9 O4 75.80(11) . .
O15 V9 O7 82.38(12) . .
O2 V10 V11 83.28(8) . 3_445
O2 V10 O12 73.71(10) . .
O12 V10 V11 49.42(7) . 3_445
O14 V10 V11 125.17(8) . 3_445
O14 V10 O2 75.29(11) . .
O14 V10 O12 76.07(11) . .
O19 V10 V11 84.56(9) . 3_445
O19 V10 O2 156.46(12) . .
O19 V10 O12 83.07(11) . .
O19 V10 O14 95.67(12) . .
O19 V10 O22 95.62(13) . .
O22 V10 V11 32.04(9) . 3_445
O22 V10 O2 84.56(12) . .
O22 V10 O12 80.64(11) . .
O22 V10 O14 152.61(12) . .
O28 V10 V11 133.35(11) . 3_445
O28 V10 O2 97.63(13) . .
O28 V10 O12 170.98(13) . .
O28 V10 O14 99.57(13) . .
O28 V10 O19 105.37(14) . .
O28 V10 O22 101.36(15) . .
V3 V11 V4 92.30(2) 3 3
O8 V11 V3 30.37(8) 3 3
O8 V11 V4 122.53(8) 3 3
O8 V11 O12 74.18(10) 3 3
O11 V11 V3 76.99(8) . 3
O11 V11 V4 80.03(8) . 3
O11 V11 O8 81.59(12) . 3
O11 V11 O12 75.69(11) . 3
O12 V11 V3 43.82(7) 3 3
O12 V11 V4 48.58(7) 3 3
O20 V11 V3 124.36(9) 3 3
O20 V11 V4 32.18(9) 3 3
O20 V11 O8 154.18(12) 3 3
O20 V11 O11 86.38(12) 3 .
O20 V11 O12 80.76(11) 3 3
O22 V11 V3 82.85(9) 3 3
O22 V11 V4 86.37(10) 3 3
O22 V11 O8 88.42(12) 3 3
O22 V11 O11 155.08(13) 3 .
O22 V11 O12 79.64(11) 3 3
O22 V11 O20 93.17(13) 3 3
O30 V11 V3 131.82(12) . 3
O30 V11 V4 135.38(12) . 3
O30 V11 O8 101.47(14) . 3
O30 V11 O11 101.16(14) . .
O30 V11 O12 174.86(13) . 3
O30 V11 O20 103.24(14) . 3
O30 V11 O22 103.18(15) . 3
O5 V12 O4 82.14(11) . .
O5 V12 O6 94.86(13) . .
O5 V12 O13 89.34(13) . .
O5 V12 O25 154.72(12) . .
O6 V12 O4 78.12(11) . .
O6 V12 O13 154.31(12) . .
O6 V12 O25 84.27(12) . .
O13 V12 O4 77.38(11) . .
O13 V12 O25 81.30(12) . .
O25 V12 O4 72.94(10) . .
O33 V12 O4 172.90(13) . .
O33 V12 O5 104.03(15) . .
O33 V12 O6 104.52(14) . .
O33 V12 O13 98.97(14) . .
O33 V12 O25 100.61(14) . .
V5 O1 V6 104.53(12) . 3_445
V5 O1 V8 107.22(12) . .
V8 O1 V6 97.56(11) . 3_445
V3 O2 V7 104.39(12) . .
V3 O2 V10 107.85(12) . .
V10 O2 V7 96.99(11) . .
V3 O3 V6 106.48(13) . 3_445
V3 O3 V8 106.61(13) . .
V6 O3 V8 107.40(13) 3_445 .
V3 O4 V5 103.32(12) . .
V3 O4 V7 99.79(11) . .
V3 O4 V8 90.35(11) . .
V3 O4 V9 169.32(14) . .
V3 O4 V12 88.38(10) . .
V5 O4 V7 90.22(10) . .
V5 O4 V8 97.73(11) . .
V5 O4 V9 86.20(10) . .
V5 O4 V12 168.00(14) . .
V7 O4 V8 165.36(14) . .
V7 O4 V9 84.82(10) . .
V7 O4 V12 85.07(10) . .
V8 O4 V9 83.48(9) . .
V8 O4 V12 84.69(9) . .
V12 O4 V9 82.39(9) . .
V12 O5 V9 115.47(15) . .
V7 O6 Sr2 98.83(11) . .
V12 O6 Sr2 148.15(14) . .
V12 O6 V7 112.47(14) . .
V5 O7 V9 113.24(14) . .
V3 O8 V11 112.65(14) . 3_445
V6 O9 Sr1 97.58(12) . .
V5 O10 V4 110.78(14) . .
V6 O11 V11 114.81(15) . .
V3 O12 V4 167.81(14) . .
V3 O12 V6 89.79(10) . 3_445
V3 O12 V10 98.48(11) . .
V3 O12 V11 86.39(10) . 3_445
V4 O12 V11 82.38(9) . 3_445
V5 O12 V3 103.35(12) . .
V5 O12 V4 88.28(10) . .
V5 O12 V6 99.47(11) . 3_445
V5 O12 V10 89.84(10) . .
V5 O12 V11 169.05(14) . 3_445
V6 O12 V4 84.60(9) 3_445 .
V6 O12 V10 165.83(14) 3_445 .
V6 O12 V11 85.37(9) 3_445 3_445
V10 O12 V4 85.04(9) . .
V10 O12 V11 83.71(9) . 3_445
V8 O13 V12 113.51(14) . .
V5 O14 V7 106.54(13) . .
V5 O14 V10 106.39(13) . .
V10 O14 V7 107.44(13) . .
V9 O17 V8 114.82(15) . .
V4 O18 Sr1 142.93(14) 3 .
V4 O18 V6 113.16(14) 3 .
V6 O18 Sr1 103.04(11) . .
V10 O19 V4 114.37(14) . .
V4 O20 V11 114.78(14) . 3_445
V7 O21 Sr2 100.80(12) . .
V11 O22 V10 114.36(16) 3_445 .
V3 O25 V12 110.05(15) . .
V7 O15 V9 114.13(14) . .
C17 O16 Sr2 132.1(3) . .
Sr2 O1A Sr1 105.48(10) . .
C11 O1A Sr1 126.4(3) . .
C11 O1A Sr2 123.4(3) . .
Sr2 O1B Sr1 104.82(10) . .
C10 O1B Sr1 126.9(2) . .
C10 O1B Sr2 126.1(3) . .
C23 O1C Sr2 127.9(3) . .
C16 O1D Sr1 123.3(3) . .
O1B C10 Sr2 36.31(19) . .
O1B C10 N4 121.0(4) . .
O1B C10 N8 120.3(4) . .
N4 C10 Sr2 111.2(3) . .
N4 C10 N8 118.8(4) . .
N8 C10 Sr2 117.2(3) . .
O1A C11 Sr2 38.29(19) . .
O1A C11 N3 120.1(4) . .
O1A C11 N5 120.6(4) . .
N3 C11 Sr2 95.6(3) . .
N5 C11 Sr2 132.6(3) . .
N5 C11 N3 119.3(4) . .
O1D C16 Sr1 39.1(2) . .
O1D C16 N12 126.0(5) . .
N12 C16 Sr1 162.5(3) . .
O16 C17 N1 121.8(4) . .
O16 C17 N7 120.6(4) . .
N1 C17 N7 117.5(4) . .
C16 N12 C27 121.4(5) . .
C16 N12 C40 118.2(5) . .
C27 N12 C40 119.6(5) . .
C22 N15 C18 116.9(4) . .
C23 N15 C18 121.7(4) . .
C23 N15 C22 121.4(4) . .
O1C C23 N15 124.3(4) . .
C8 O1E Sr2 146.4(3) . .
C8 N2 C2 123.1(4) . .
C8 N2 C13 120.1(4) . .
C2 N2 C13 116.4(4) . .
O1E C8 N2 124.1(5) . .
C1 O1F Sr1 137.0(3) . .
C3 O1G Sr1 137.4(3) . .
C5 O1H Sr1 163.2(3) . .
O1F C1 N6 120.4(4) . .
O1F C1 N9 121.8(4) . .
N9 C1 N6 117.8(4) . .
C3 N10 C4 120.3(5) . .
C3 N10 C6 121.8(5) . .
C4 N10 C6 117.6(5) . .
O1G C3 N10 125.0(5) . .
C5 N11 C7 119.9(5) . .
C5 N11 C9 123.0(5) . .
C7 N11 C9 117.1(5) . .
O1H C5 N11 125.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 Sr2 4.0386(5) .
Sr1 V6 3.5081(8) .
Sr1 O9 2.907(3) .
Sr1 O18 2.582(3) .
Sr1 O1A 2.561(3) .
Sr1 O1B 2.590(3) .
Sr1 O1D 2.567(3) .
Sr1 C16 3.406(5) .
Sr1 O1F 2.590(3) .
Sr1 O1G 2.506(3) .
Sr1 O1H 2.494(3) .
Sr2 V7 3.3916(8) .
Sr2 O6 2.561(3) .
Sr2 O21 2.688(3) .
Sr2 O16 2.603(3) .
Sr2 O1A 2.513(3) .
Sr2 O1B 2.506(3) .
Sr2 O1C 2.527(3) .
Sr2 C10 3.417(4) .
Sr2 C11 3.385(4) .
Sr2 O1E 2.434(3) .
V3 V6 3.0840(9) 3_445
V3 V11 3.0883(9) 3_445
V3 O2 2.029(3) .
V3 O3 1.874(3) .
V3 O4 2.081(3) .
V3 O8 1.692(3) .
V3 O12 2.143(3) .
V3 O25 1.673(3) .
V4 V6 3.0787(9) 3_445
V4 V11 3.1017(10) 3_445
V4 O10 2.072(3) .
V4 O12 2.347(3) .
V4 O18 1.825(3) 3_445
V4 O19 1.964(3) .
V4 O20 1.819(3) .
V4 O24 1.603(3) .
V5 O1 2.025(3) .
V5 O4 2.143(3) .
V5 O7 1.691(3) .
V5 O10 1.671(3) .
V5 O12 2.080(3) .
V5 O14 1.877(3) .
V6 V3 3.0840(9) 3
V6 V4 3.0787(9) 3
V6 O1 2.131(3) 3
V6 O3 1.975(3) 3
V6 O9 1.617(3) .
V6 O11 1.737(3) .
V6 O12 2.226(3) 3
V6 O18 1.863(3) .
V7 O2 2.134(3) .
V7 O4 2.218(3) .
V7 O6 1.865(3) .
V7 O14 1.978(3) .
V7 O21 1.625(3) .
V7 O15 1.729(3) .
V8 O1 2.103(3) .
V8 O3 1.977(3) .
V8 O4 2.269(3) .
V8 O13 1.753(3) .
V8 O17 1.870(3) .
V8 O23 1.608(3) .
V9 O4 2.379(3) .
V9 O5 1.867(3) .
V9 O7 2.008(3) .
V9 O17 1.804(3) .
V9 O34 1.595(3) .
V9 O15 1.965(3) .
V10 V11 3.0928(10) 3_445
V10 O2 2.108(3) .
V10 O12 2.271(3) .
V10 O14 1.963(3) .
V10 O19 1.748(3) .
V10 O22 1.879(3) .
V10 O28 1.607(3) .
V11 V3 3.0883(9) 3
V11 V4 3.1015(10) 3
V11 O8 2.013(3) 3
V11 O11 1.955(3) .
V11 O12 2.363(3) 3
V11 O20 1.863(3) 3
V11 O22 1.801(3) 3
V11 O30 1.600(3) .
V12 O4 2.342(3) .
V12 O5 1.810(3) .
V12 O6 1.844(3) .
V12 O13 1.958(3) .
V12 O25 2.085(3) .
V12 O33 1.596(3) .
O1 V6 2.131(3) 3_445
O3 V6 1.975(3) 3_445
O8 V11 2.013(3) 3_445
O12 V6 2.226(3) 3_445
O12 V11 2.363(3) 3_445
O18 V4 1.825(3) 3
O20 V11 1.863(3) 3_445
O22 V11 1.801(3) 3_445
O16 C17 1.275(5) .
O1A C11 1.272(5) .
O1B C10 1.275(5) .
O1C C23 1.247(5) .
O1D C16 1.235(5) .
C10 N4 1.323(6) .
C10 N8 1.338(5) .
C11 N3 1.341(5) .
C11 N5 1.322(6) .
C16 N12 1.323(6) .
C17 N1 1.327(6) .
C17 N7 1.346(6) .
N12 C27 1.453(7) .
N12 C40 1.485(9) .
N15 C18 1.473(6) .
N15 C22 1.457(6) .
N15 C23 1.317(6) .
O1E C8 1.240(5) .
N2 C8 1.308(6) .
N2 C2 1.443(6) .
N2 C13 1.465(6) .
O1F C1 1.273(5) .
O1G C3 1.223(6) .
O1H C5 1.201(5) .
N6 C1 1.344(6) .
C1 N9 1.336(6) .
N10 C3 1.324(6) .
N10 C4 1.445(8) .
N10 C6 1.455(7) .
N11 C5 1.302(6) .
N11 C7 1.458(8) .
N11 C9 1.469(8) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Sr1 V6 O11 V11 -117.59(12) . .
Sr1 V6 O18 V4 -171.9(2) . 3
Sr1 O1A C11 Sr2 152.2(4) . .
Sr1 O1A C11 N3 95.6(4) . .
Sr1 O1A C11 N5 -86.5(5) . .
Sr1 O1B C10 Sr2 161.0(5) . .
Sr1 O1B C10 N4 -114.9(4) . .
Sr1 O1B C10 N8 65.4(5) . .
Sr1 O1D C16 N12 167.1(4) . .
Sr1 C16 N12 C27 -156.5(10) . .
Sr1 C16 N12 C40 34.2(15) . .
Sr1 O1F C1 N6 21.6(6) . .
Sr1 O1F C1 N9 -161.7(3) . .
Sr1 O1G C3 N10 159.1(3) . .
Sr1 O1H C5 N11 -78.4(13) . .
Sr2 V7 O6 V12 174.0(2) . .
Sr2 V7 O15 V9 121.64(11) . .
Sr2 O16 C17 N1 141.1(3) . .
Sr2 O16 C17 N7 -41.3(6) . .
Sr2 O1A C11 N3 -56.6(5) . .
Sr2 O1A C11 N5 121.3(4) . .
Sr2 O1B C10 N4 84.0(5) . .
Sr2 O1B C10 N8 -95.7(4) . .
Sr2 O1C C23 N15 -155.1(4) . .
Sr2 O1E C8 N2 -137.8(5) . .
V3 V6 O9 Sr1 -156.62(6) 3 .
V3 V6 O11 V11 50.28(12) 3 .
V3 V6 O18 Sr1 156.47(5) 3 .
V3 V6 O18 V4 -15.41(19) 3 3
V4 V6 O9 Sr1 15.01(17) 3 .
V4 V6 O11 V11 -43.72(12) 3 .
V4 V6 O18 Sr1 171.9(2) 3 .
V6 V3 O3 V8 114.43(18) 3_445 .
V6 V3 O8 V11 -47.52(12) 3_445 3_445
V6 V3 O25 V12 84.89(17) 3_445 .
V6 V4 O20 V11 47.47(13) 3_445 3_445
V11 V3 O3 V6 30.18(11) 3_445 3_445
V11 V3 O3 V8 144.61(10) 3_445 .
V11 V3 O25 V12 -168.69(6) 3_445 .
V11 V10 O19 V4 -41.98(13) 3_445 .
O1 V5 O7 V9 -77.21(15) . .
O1 V5 O10 V4 78.94(15) . .
O1 V5 O14 V7 52.3(3) . .
O1 V5 O14 V10 -62.1(3) . .
O1 V6 O9 Sr1 -74.92(11) 3 .
O1 V6 O11 V11 20.7(4) 3 .
O1 V6 O18 Sr1 81.96(11) 3 .
O1 V6 O18 V4 -89.92(15) 3 3
O1 V8 O13 V12 -22.3(4) . .
O1 V8 O17 V9 86.36(16) . .
O2 V3 O3 V6 -53.1(3) . 3_445
O2 V3 O3 V8 61.3(3) . .
O2 V3 O8 V11 76.65(15) . 3_445
O2 V3 O25 V12 -79.40(15) . .
O2 V7 O6 Sr2 -83.05(11) . .
O2 V7 O6 V12 90.95(15) . .
O2 V7 O21 Sr2 75.76(11) . .
O2 V7 O15 V9 -21.5(4) . .
O2 V10 O19 V4 17.2(4) . .
O2 V10 O22 V11 -86.02(16) . 3_445
O3 V3 O8 V11 -82.13(16) . 3_445
O3 V3 O25 V12 81.90(15) . .
O3 V6 O9 Sr1 -149.96(10) 3 .
O3 V6 O11 V11 82.51(15) 3 .
O3 V6 O18 Sr1 121.7(2) 3 .
O3 V6 O18 V4 -50.2(3) 3 3
O3 V8 O13 V12 -83.77(16) . .
O3 V8 O17 V9 42.7(4) . .
O4 V3 O3 V6 -95.98(13) . 3_445
O4 V3 O3 V8 18.45(13) . .
O4 V3 O8 V11 13.4(5) . 3_445
O4 V3 O25 V12 -0.38(14) . .
O4 V5 O7 V9 1.15(15) . .
O4 V5 O10 V4 11.2(6) . .
O4 V5 O14 V7 17.92(12) . .
O4 V5 O14 V10 -96.49(13) . .
O4 V7 O6 Sr2 -157.64(11) . .
O4 V7 O6 V12 16.36(14) . .
O4 V7 O21 Sr2 77.1(6) . .
O4 V7 O15 V9 -5.48(14) . .
O4 V8 O13 V12 -8.74(15) . .
O4 V8 O17 V9 11.60(15) . .
O4 V9 O5 V12 1.17(14) . .
O4 V9 O17 V8 -11.11(14) . .
O4 V12 O5 V9 -1.19(15) . .
O4 V12 O6 Sr2 153.1(3) . .
O4 V12 O6 V7 -15.62(13) . .
O5 V9 O17 V8 68.17(17) . .
O5 V12 O6 Sr2 -126.0(3) . .
O5 V12 O6 V7 65.28(16) . .
O6 V7 O21 Sr2 -9.77(13) . .
O6 V7 O15 V9 74.69(16) . .
O6 V12 O5 V9 -78.45(16) . .
O7 V5 O10 V4 174.84(14) . .
O7 V5 O14 V7 -67.39(15) . .
O7 V5 O14 V10 178.21(13) . .
O7 V9 O5 V12 12.6(4) . .
O7 V9 O17 V8 -85.11(16) . .
O8 V3 O3 V6 66.80(15) . 3_445
O8 V3 O3 V8 -178.76(13) . .
O8 V3 O25 V12 -174.78(13) . .
O9 V6 O11 V11 -176.42(15) . .
O9 V6 O18 Sr1 -13.05(14) . .
O9 V6 O18 V4 175.07(15) . 3
O10 V4 O20 V11 -10.8(4) . 3_445
O10 V5 O7 V9 -174.55(14) . .
O10 V5 O14 V7 -177.62(14) . .
O10 V5 O14 V10 67.98(15) . .
O11 V6 O9 Sr1 111.72(12) . .
O11 V6 O18 Sr1 -121.02(12) . .
O11 V6 O18 V4 67.11(16) . 3
O12 V3 O3 V6 -18.46(12) . 3_445
O12 V3 O3 V8 95.97(13) . .
O12 V3 O8 V11 -1.25(15) . 3_445
O12 V3 O25 V12 -12.9(6) . .
O12 V4 O20 V11 0.91(14) . 3_445
O12 V5 O7 V9 -11.2(5) . .
O12 V5 O10 V4 -0.34(14) . .
O12 V5 O14 V7 95.46(13) . .
O12 V5 O14 V10 -18.94(12) . .
O12 V6 O9 Sr1 -81.6(7) 3 .
O12 V6 O11 V11 5.96(14) 3 .
O12 V6 O18 Sr1 156.55(11) 3 .
O12 V6 O18 V4 -15.32(14) 3 3
O12 V10 O19 V4 7.73(15) . .
O12 V10 O22 V11 -11.68(14) . 3_445
O13 V8 O17 V9 -70.69(17) . .
O13 V12 O5 V9 76.17(16) . .
O13 V12 O6 Sr2 135.4(3) . .
O13 V12 O6 V7 -33.4(4) . .
O14 V5 O7 V9 81.86(16) . .
O14 V5 O10 V4 -82.67(15) . .
O14 V7 O6 Sr2 -122.1(2) . .
O14 V7 O6 V12 51.9(3) . .
O14 V7 O21 Sr2 150.62(10) . .
O14 V7 O15 V9 -82.17(16) . .
O14 V10 O19 V4 82.91(16) . .
O14 V10 O22 V11 -43.6(3) . 3_445
O17 V8 O13 V12 71.28(16) . .
O17 V9 O5 V12 -77.36(17) . .
O18 V4 O20 V11 78.48(16) 3_445 3_445
O18 V6 O9 Sr1 11.36(13) . .
O18 V6 O11 V11 -74.06(16) . .
O19 V4 O20 V11 -75.95(16) . 3_445
O19 V10 O22 V11 70.32(16) . 3_445
O21 V7 O6 Sr2 10.20(14) . .
O21 V7 O6 V12 -175.80(15) . .
O21 V7 O15 V9 176.15(14) . .
O22 V10 O19 V4 -72.10(16) . .
O23 V8 O13 V12 174.83(15) . .
O23 V8 O17 V9 -177.61(16) . .
O24 V4 O20 V11 -175.48(16) . 3_445
O25 V3 O3 V6 176.73(14) . 3_445
O25 V3 O3 V8 -68.84(16) . .
O25 V3 O8 V11 174.09(14) . 3_445
O25 V12 O5 V9 8.4(4) . .
O25 V12 O6 Sr2 79.4(3) . .
O25 V12 O6 V7 -89.35(15) . .
O28 V10 O19 V4 -175.52(15) . .
O28 V10 O22 V11 177.26(16) . 3_445
O33 V12 O5 V9 175.24(16) . .
O33 V12 O6 Sr2 -20.1(3) . .
O33 V12 O6 V7 171.15(16) . .
O34 V9 O5 V12 177.80(17) . .
O34 V9 O17 V8 173.41(16) . .
O15 V7 O6 Sr2 118.83(12) . .
O15 V7 O6 V12 -67.17(16) . .
O15 V7 O21 Sr2 -110.74(13) . .
O15 V9 O5 V12 77.40(16) . .
O15 V9 O17 V8 -18.6(4) . .
O1D C16 N12 C27 175.8(5) . .
O1D C16 N12 C40 6.4(8) . .
C18 N15 C23 O1C -178.9(4) . .
C22 N15 C23 O1C 0.7(7) . .
C2 N2 C8 O1E 2.5(8) . .
C13 N2 C8 O1E 175.1(5) . .
C7 N11 C5 O1H -3.6(8) . .
C4 N10 C3 O1G 8.0(8) . .
C6 N10 C3 O1G -178.3(5) . .
C9 N11 C5 O1H 175.8(6) . .
