#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:47:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179936 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/31/7023163.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_7023163
loop_
_publ_author_name
'Du, Shizhen'
'Feng, Jun'
'Lu, Xiaoming'
'Wang, Guo'
_publ_section_title
;
 The syntheses and characterizations of vanadium complexes with
 1,2-dihydroxyanthraquinone and the structure-effect relationship in their
 in vitro anticancer activities.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9699
_journal_page_last               9705
_journal_paper_doi               10.1039/c3dt50865j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C38 H35 N4 Na O11 V'
_chemical_formula_weight         797.63
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.212(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0680(11)
_cell_length_b                   12.8419(14)
_cell_length_c                   29.029(3)
_cell_measurement_reflns_used    2851
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      20.73
_cell_measurement_theta_min      2.558
_cell_volume                     3604.0(7)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0977
_diffrn_reflns_av_sigmaI/netI    0.1488
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            17446
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    0.356
_exptl_absorpt_correction_T_max  0.9068
_exptl_absorpt_correction_T_min  0.8618
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1652
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.898
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         6312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.2031
_refine_ls_R_factor_gt           0.0987
_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)+(0.1440P)²+13.3039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2414
_refine_ls_wR_factor_ref         0.3409
_reflns_number_gt                2799
_reflns_number_total             6312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50865j.txt
_cod_data_source_block           111111b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3604.0(6)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7023163
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
V1 V 0.81273(16) 0.59756(12) 0.66961(5) 0.0473(5) Uani 1 1 d .
Na1 Na 0.4569(4) 0.6477(3) 0.62984(12) 0.0546(9) Uani 1 1 d .
N1 N 0.0159(19) 0.7613(15) 0.5680(8) 0.148(5) Uani 1 1 d .
N2 N 0.0998(11) 0.3845(8) 0.6640(5) 0.095(3) Uani 1 1 d .
H2 H 0.0113 0.3774 0.6463 0.115 Uiso 1 1 d R
N3 N 0.2161(13) 0.2660(9) 0.7262(4) 0.093(3) Uani 1 1 d .
H3 H 0.1753 0.2086 0.7336 0.112 Uiso 1 1 d R
N4 N 0.301(9) 0.034(8) 0.569(3) 0.36(4) Uani 1 1 d .
O1 O 0.6743(6) 0.6348(4) 0.61014(19) 0.0448(14) Uani 1 1 d .
O2 O 0.8967(6) 0.5329(5) 0.62426(19) 0.0515(15) Uani 1 1 d .
O3 O 0.4402(7) 0.7056(5) 0.5474(2) 0.0608(17) Uani 1 1 d .
O4 O 0.5881(7) 0.5206(5) 0.4044(2) 0.0597(17) Uani 1 1 d .
O5 O 0.6538(6) 0.5876(5) 0.6951(2) 0.0497(15) Uani 1 1 d .
O6 O 0.8694(6) 0.4763(5) 0.7108(2) 0.0506(15) Uani 1 1 d .
O7 O 0.3950(7) 0.6071(5) 0.7053(3) 0.0679(19) Uani 1 1 d .
O8 O 0.5124(8) 0.3170(5) 0.8425(3) 0.071(2) Uani 1 1 d .
O9 O 0.9014(7) 0.6966(5) 0.6938(2) 0.0607(17) Uani 1 1 d .
O10 O 0.2017(14) 0.6590(11) 0.6032(5) 0.150(5) Uani 1 1 d .
O11 O 0.121(5) 0.064(4) 0.5952(18) 0.35(2) Uani 1 1 d .
C1 C 0.7005(8) 0.5989(6) 0.5710(3) 0.0393(18) Uani 1 1 d .
C2 C 0.8239(9) 0.5411(7) 0.5785(3) 0.045(2) Uani 1 1 d .
C3 C 0.8622(9) 0.4996(7) 0.5405(3) 0.049(2) Uani 1 1 d .
H3A H 0.9461 0.4648 0.5455 0.059 Uiso 1 1 calc R
C4 C 0.7739(9) 0.5103(7) 0.4948(3) 0.051(2) Uani 1 1 d .
H4 H 0.7974 0.4794 0.4691 0.061 Uiso 1 1 calc R
C5 C 0.6531(9) 0.5650(7) 0.4862(3) 0.045(2) Uani 1 1 d .
C6 C 0.6137(9) 0.6127(6) 0.5245(3) 0.0412(19) Uani 1 1 d .
C7 C 0.4853(9) 0.6701(7) 0.5152(3) 0.047(2) Uani 1 1 d .
C8 C 0.4069(10) 0.6886(7) 0.4639(3) 0.052(2) Uani 1 1 d .
C9 C 0.4442(10) 0.6401(7) 0.4276(3) 0.052(2) Uani 1 1 d .
C10 C 0.5630(9) 0.5696(7) 0.4366(3) 0.049(2) Uani 1 1 d .
C11 C 0.2937(10) 0.7535(8) 0.4537(4) 0.065(3) Uani 1 1 d .
H11 H 0.2676 0.7851 0.4787 0.078 Uiso 1 1 calc R
C12 C 0.2177(12) 0.7725(9) 0.4065(4) 0.077(3) Uani 1 1 d .
H12 H 0.1433 0.8184 0.3995 0.092 Uiso 1 1 calc R
C13 C 0.2557(12) 0.7217(9) 0.3708(4) 0.074(3) Uani 1 1 d .
H13 H 0.2032 0.7310 0.3392 0.088 Uiso 1 1 calc R
C14 C 0.3671(11) 0.6583(8) 0.3801(4) 0.064(3) Uani 1 1 d .
H14 H 0.3926 0.6269 0.3550 0.077 Uiso 1 1 calc R
C15 C 0.6608(9) 0.5133(6) 0.7276(3) 0.043(2) Uani 1 1 d .
C16 C 0.7860(9) 0.4529(6) 0.7369(3) 0.044(2) Uani 1 1 d .
C17 C 0.8086(10) 0.3734(7) 0.7706(3) 0.051(2) Uani 1 1 d .
H17 H 0.8890 0.3337 0.7773 0.061 Uiso 1 1 calc R
C18 C 0.7104(10) 0.3551(7) 0.7937(3) 0.055(2) Uani 1 1 d .
H18 H 0.7256 0.3013 0.8161 0.066 Uiso 1 1 calc R
C19 C 0.5900(9) 0.4115(7) 0.7861(3) 0.050(2) Uani 1 1 d .
C20 C 0.5625(9) 0.4913(6) 0.7509(3) 0.044(2) Uani 1 1 d .
C21 C 0.4306(9) 0.5465(7) 0.7395(3) 0.052(2) Uani 1 1 d .
C22 C 0.3382(10) 0.5274(7) 0.7695(3) 0.054(2) Uani 1 1 d .
C23 C 0.3670(10) 0.4518(7) 0.8055(3) 0.053(2) Uani 1 1 d .
C24 C 0.4931(10) 0.3870(7) 0.8131(3) 0.054(2) Uani 1 1 d .
C25 C 0.2161(10) 0.5850(8) 0.7624(4) 0.058(2) Uani 1 1 d .
H25 H 0.1959 0.6375 0.7394 0.070 Uiso 1 1 calc R
C26 C 0.1276(11) 0.5650(9) 0.7886(4) 0.066(3) Uani 1 1 d .
H26 H 0.0456 0.6027 0.7825 0.079 Uiso 1 1 calc R
C27 C 0.1543(11) 0.4921(9) 0.8234(4) 0.067(3) Uani 1 1 d .
H27 H 0.0922 0.4807 0.8414 0.081 Uiso 1 1 calc R
C28 C 0.2745(11) 0.4348(8) 0.8321(4) 0.061(3) Uani 1 1 d .
H28 H 0.2935 0.3844 0.8560 0.074 Uiso 1 1 calc R
C29 C 0.100(2) 0.7068(18) 0.6030(9) 0.141(7) Uani 1 1 d .
H29 H 0.0753 0.7054 0.6316 0.169 Uiso 1 1 calc R
C30 C 0.028(2) 0.7531(19) 0.5210(9) 0.179(9) Uani 1 1 d .
H30A H 0.1190 0.7287 0.5221 0.269 Uiso 1 1 calc R
H30B H 0.0131 0.8201 0.5058 0.269 Uiso 1 1 calc R
H30C H -0.0396 0.7048 0.5031 0.269 Uiso 1 1 calc R
C31 C -0.086(2) 0.8153(17) 0.5820(8) 0.170(8) Uani 1 1 d .
H31A H -0.1096 0.7778 0.6073 0.255 Uiso 1 1 calc R
H31B H -0.1668 0.8221 0.5552 0.255 Uiso 1 1 calc R
H31C H -0.0524 0.8832 0.5933 0.255 Uiso 1 1 calc R
C32 C 0.1816(15) 0.3542(12) 0.6331(5) 0.101(4) Uani 1 1 d .
H32A H 0.1990 0.4140 0.6152 0.121 Uiso 1 1 calc R
H32B H 0.1329 0.3021 0.6104 0.121 Uiso 1 1 calc R
C33 C 0.3161(15) 0.3106(13) 0.6635(6) 0.108(5) Uani 1 1 d .
H33A H 0.3651 0.2807 0.6423 0.130 Uiso 1 1 calc R
H33B H 0.3715 0.3680 0.6803 0.130 Uiso 1 1 calc R
C34 C 0.3083(16) 0.2301(12) 0.6996(6) 0.110(5) Uani 1 1 d .
H34A H 0.2745 0.1651 0.6836 0.132 Uiso 1 1 calc R
H34B H 0.3995 0.2181 0.7213 0.132 Uiso 1 1 calc R
C35 C 0.1088(13) 0.3382(11) 0.7076(5) 0.085(4) Uani 1 1 d .
H35 H 0.0453 0.3542 0.7244 0.102 Uiso 1 1 calc R
C36 C 0.200(10) -0.001(11) 0.585(4) 0.37(6) Uani 1 1 d .
H36 H 0.1877 -0.0724 0.5892 0.440 Uiso 1 1 calc R
C37 C 0.405(6) -0.035(4) 0.5572(19) 0.37(3) Uani 1 1 d .
H37A H 0.3903 -0.1051 0.5658 0.550 Uiso 1 1 calc R
H37B H 0.4961 -0.0126 0.5747 0.550 Uiso 1 1 calc R
H37C H 0.3952 -0.0309 0.5234 0.550 Uiso 1 1 calc R
C38 C 0.349(5) 0.143(5) 0.5752(18) 0.34(3) Uani 1 1 d .
H38A H 0.2881 0.1858 0.5513 0.517 Uiso 1 1 calc R
H38B H 0.4411 0.1474 0.5716 0.517 Uiso 1 1 calc R
H38C H 0.3497 0.1674 0.6065 0.517 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'
Na Na 0.0362 0.0249 '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
O9 V1 O2 110.0(3) . .
O9 V1 O5 107.6(3) . .
O2 V1 O5 142.3(3) . .
O9 V1 O6 109.5(3) . .
O2 V1 O6 88.1(3) . .
O5 V1 O6 81.1(2) . .
O9 V1 O1 111.5(3) . .
O2 V1 O1 81.0(2) . .
O5 V1 O1 83.9(2) . .
O6 V1 O1 138.9(3) . .
O9 V1 Na1 113.1(3) . .
O2 V1 Na1 117.05(18) . .
O5 V1 Na1 42.58(17) . .
O6 V1 Na1 116.5(2) . .
O1 V1 Na1 41.52(18) . .
O8 Na1 O4 175.2(3) 2_656 3_666
O8 Na1 O1 96.0(3) 2_656 .
O4 Na1 O1 85.3(2) 3_666 .
O8 Na1 O5 91.5(3) 2_656 .
O4 Na1 O5 93.2(2) 3_666 .
O1 Na1 O5 64.6(2) . .
O8 Na1 O3 91.1(3) 2_656 .
O4 Na1 O3 85.1(2) 3_666 .
O1 Na1 O3 67.2(2) . .
O5 Na1 O3 131.7(3) . .
O8 Na1 O10 94.6(4) 2_656 .
O4 Na1 O10 82.1(4) 3_666 .
O1 Na1 O10 149.4(4) . .
O5 Na1 O10 143.7(4) . .
O3 Na1 O10 84.0(4) . .
O8 Na1 O7 86.2(3) 2_656 .
O4 Na1 O7 96.5(3) 3_666 .
O1 Na1 O7 131.2(2) . .
O5 Na1 O7 66.5(2) . .
O3 Na1 O7 161.7(3) . .
O10 Na1 O7 78.2(4) . .
O8 Na1 V1 91.9(2) 2_656 .
O4 Na1 V1 91.66(19) 3_666 .
O1 Na1 V1 32.35(13) . .
O5 Na1 V1 32.46(15) . .
O3 Na1 V1 99.28(19) . .
O10 Na1 V1 172.7(4) . .
O7 Na1 V1 98.95(18) . .
C29 N1 C31 114(2) . .
C29 N1 C30 120(2) . .
C31 N1 C30 126(2) . .
C35 N2 C32 123.8(11) . .
C35 N2 H2 106.4 . .
C32 N2 H2 105.3 . .
C35 N3 C34 123.0(11) . .
C35 N3 H3 106.2 . .
C34 N3 H3 105.8 . .
C36 N4 C38 123(10) . .
C36 N4 C37 123(10) . .
C38 N4 C37 111(7) . .
C1 O1 V1 114.2(5) . .
C1 O1 Na1 129.8(5) . .
V1 O1 Na1 106.1(2) . .
C2 O2 V1 114.9(5) . .
C7 O3 Na1 133.0(6) . .
C10 O4 Na1 137.9(6) . 3_666
C15 O5 V1 115.5(5) . .
C15 O5 Na1 130.1(5) . .
V1 O5 Na1 105.0(2) . .
C16 O6 V1 114.3(5) . .
C21 O7 Na1 138.7(6) . .
C24 O8 Na1 156.7(7) . 2_646
C29 O10 Na1 148.1(13) . .
O1 C1 C6 124.4(7) . .
O1 C1 C2 115.5(7) . .
C6 C1 C2 120.1(7) . .
O2 C2 C3 124.8(8) . .
O2 C2 C1 114.3(7) . .
C3 C2 C1 120.9(8) . .
C2 C3 C4 118.9(8) . .
C2 C3 H3A 120.6 . .
C4 C3 H3A 120.6 . .
C5 C4 C3 121.8(8) . .
C5 C4 H4 119.1 . .
C3 C4 H4 119.1 . .
C4 C5 C6 120.6(8) . .
C4 C5 C10 118.2(8) . .
C6 C5 C10 121.2(8) . .
C1 C6 C5 117.7(8) . .
C1 C6 C7 121.9(7) . .
C5 C6 C7 120.3(7) . .
O3 C7 C6 123.1(8) . .
O3 C7 C8 119.4(8) . .
C6 C7 C8 117.5(8) . .
C9 C8 C11 120.0(9) . .
C9 C8 C7 120.9(8) . .
C11 C8 C7 119.1(9) . .
C8 C9 C14 119.2(9) . .
C8 C9 C10 122.2(8) . .
C14 C9 C10 118.6(9) . .
O4 C10 C9 121.4(8) . .
O4 C10 C5 121.9(9) . .
C9 C10 C5 116.7(8) . .
C8 C11 C12 120.9(11) . .
C8 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C13 C12 C11 118.0(11) . .
C13 C12 H12 121.0 . .
C11 C12 H12 121.0 . .
C14 C13 C12 122.0(10) . .
C14 C13 H13 119.0 . .
C12 C13 H13 119.0 . .
C13 C14 C9 119.8(10) . .
C13 C14 H14 120.1 . .
C9 C14 H14 120.1 . .
O5 C15 C20 126.4(8) . .
O5 C15 C16 112.9(8) . .
C20 C15 C16 120.7(7) . .
O6 C16 C17 124.7(8) . .
O6 C16 C15 115.9(7) . .
C17 C16 C15 119.3(8) . .
C18 C17 C16 118.4(8) . .
C18 C17 H17 120.8 . .
C16 C17 H17 120.8 . .
C17 C18 C19 123.9(8) . .
C17 C18 H18 118.1 . .
C19 C18 H18 118.1 . .
C18 C19 C20 118.9(9) . .
C18 C19 C24 119.6(8) . .
C20 C19 C24 121.5(8) . .
C15 C20 C19 118.7(8) . .
C15 C20 C21 121.6(8) . .
C19 C20 C21 119.7(8) . .
O7 C21 C20 122.0(9) . .
O7 C21 C22 119.7(8) . .
C20 C21 C22 118.3(8) . .
C23 C22 C25 118.0(9) . .
C23 C22 C21 121.9(9) . .
C25 C22 C21 120.1(9) . .
C28 C23 C22 119.7(9) . .
C28 C23 C24 120.7(9) . .
C22 C23 C24 119.5(9) . .
O8 C24 C19 122.8(9) . .
O8 C24 C23 118.8(9) . .
C19 C24 C23 118.4(8) . .
C26 C25 C22 120.5(10) . .
C26 C25 H25 119.8 . .
C22 C25 H25 119.8 . .
C25 C26 C27 122.0(11) . .
C25 C26 H26 119.0 . .
C27 C26 H26 119.0 . .
C26 C27 C28 119.3(10) . .
C26 C27 H27 120.4 . .
C28 C27 H27 120.4 . .
C27 C28 C23 120.5(10) . .
C27 C28 H28 119.7 . .
C23 C28 H28 119.7 . .
O10 C29 N1 129(2) . .
O10 C29 H29 115.3 . .
N1 C29 H29 115.3 . .
N1 C30 H30A 109.5 . .
N1 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
N1 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
N1 C31 H31A 109.5 . .
N1 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
N1 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N2 C32 C33 108.3(12) . .
N2 C32 H32A 110.0 . .
C33 C32 H32A 110.0 . .
N2 C32 H32B 110.0 . .
C33 C32 H32B 110.0 . .
H32A C32 H32B 108.4 . .
C34 C33 C32 117.2(13) . .
C34 C33 H33A 108.0 . .
C32 C33 H33A 108.0 . .
C34 C33 H33B 108.0 . .
C32 C33 H33B 108.0 . .
H33A C33 H33B 107.2 . .
N3 C34 C33 108.9(12) . .
N3 C34 H34A 109.9 . .
C33 C34 H34A 109.9 . .
N3 C34 H34B 109.9 . .
C33 C34 H34B 109.9 . .
H34A C34 H34B 108.3 . .
N2 C35 N3 118.9(11) . .
N2 C35 H35 120.6 . .
N3 C35 H35 120.6 . .
O11 C36 N4 117(10) . .
O11 C36 H36 121.5 . .
N4 C36 H36 121.5 . .
N4 C37 H37A 109.5 . .
N4 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
N4 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N4 C38 H38A 109.5 . .
N4 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
N4 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O9 1.600(6) .
V1 O2 1.939(6) .
V1 O5 1.946(6) .
V1 O6 1.950(6) .
V1 O1 1.951(5) .
V1 Na1 3.503(4) .
Na1 O8 2.309(7) 2_656
Na1 O4 2.370(7) 3_666
Na1 O1 2.417(7) .
Na1 O5 2.454(6) .
Na1 O3 2.468(7) .
Na1 O10 2.472(14) .
Na1 O7 2.494(8) .
N1 C29 1.33(2) .
N1 C31 1.39(2) .
N1 C30 1.41(2) .
N2 C35 1.376(17) .
N2 C32 1.433(17) .
N2 H2 0.9000 .
N3 C35 1.411(17) .
N3 C34 1.438(17) .
N3 H3 0.9000 .
N4 C36 1.32(11) .
N4 C38 1.48(9) .
N4 C37 1.48(10) .
O1 C1 1.319(9) .
O2 C2 1.330(9) .
O3 C7 1.233(10) .
O4 C10 1.210(10) .
O4 Na1 2.370(7) 3_666
O5 C15 1.330(9) .
O6 C16 1.312(10) .
O7 C21 1.233(10) .
O8 C24 1.217(10) .
O8 Na1 2.309(7) 2_646
O10 C29 1.20(2) .
O11 C36 1.25(10) .
C1 C6 1.400(11) .
C1 C2 1.411(11) .
C2 C3 1.373(12) .
C3 C4 1.384(12) .
C3 H3A 0.9300 .
C4 C5 1.366(12) .
C4 H4 0.9300 .
C5 C6 1.420(12) .
C5 C10 1.473(11) .
C6 C7 1.446(12) .
C7 C8 1.497(12) .
C8 C9 1.364(13) .
C8 C11 1.376(13) .
C9 C14 1.402(12) .
C9 C10 1.464(13) .
C11 C12 1.392(13) .
C11 H11 0.9300 .
C12 C13 1.366(16) .
C12 H12 0.9300 .
C13 C14 1.351(14) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C20 1.374(12) .
C15 C16 1.439(12) .
C16 C17 1.390(11) .
C17 C18 1.362(13) .
C17 H17 0.9300 .
C18 C19 1.375(12) .
C18 H18 0.9300 .
C19 C20 1.419(12) .
C19 C24 1.448(13) .
C20 C21 1.460(12) .
C21 C22 1.462(13) .
C22 C23 1.395(13) .
C22 C25 1.400(13) .
C23 C28 1.384(13) .
C23 C24 1.482(13) .
C25 C26 1.348(13) .
C25 H25 0.9300 .
C26 C27 1.349(14) .
C26 H26 0.9300 .
C27 C28 1.378(14) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.503(19) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.489(19) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
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
O9 V1 Na1 O8 -1.4(3) . 2_656
O2 V1 Na1 O8 -130.9(3) . 2_656
O5 V1 Na1 O8 89.9(3) . 2_656
O6 V1 Na1 O8 126.9(3) . 2_656
O1 V1 Na1 O8 -98.2(3) . 2_656
O9 V1 Na1 O4 175.3(3) . 3_666
O2 V1 Na1 O4 45.8(3) . 3_666
O5 V1 Na1 O4 -93.4(3) . 3_666
O6 V1 Na1 O4 -56.4(3) . 3_666
O1 V1 Na1 O4 78.5(3) . 3_666
O9 V1 Na1 O1 96.8(4) . .
O2 V1 Na1 O1 -32.7(3) . .
O5 V1 Na1 O1 -171.9(4) . .
O6 V1 Na1 O1 -134.9(3) . .
O9 V1 Na1 O5 -91.2(4) . .
O2 V1 Na1 O5 139.2(3) . .
O6 V1 Na1 O5 37.0(3) . .
O1 V1 Na1 O5 171.9(4) . .
O9 V1 Na1 O3 90.0(3) . .
O2 V1 Na1 O3 -39.5(3) . .
O5 V1 Na1 O3 -178.7(3) . .
O6 V1 Na1 O3 -141.7(3) . .
O1 V1 Na1 O3 -6.8(3) . .
O9 V1 Na1 O10 -154(3) . .
O2 V1 Na1 O10 77(3) . .
O5 V1 Na1 O10 -63(3) . .
O6 V1 Na1 O10 -26(3) . .
O1 V1 Na1 O10 109(3) . .
O9 V1 Na1 O7 -87.8(3) . .
O2 V1 Na1 O7 142.7(3) . .
O5 V1 Na1 O7 3.4(3) . .
O6 V1 Na1 O7 40.4(3) . .
O1 V1 Na1 O7 175.4(3) . .
O9 V1 O1 C1 109.5(6) . .
O2 V1 O1 C1 1.5(5) . .
O5 V1 O1 C1 -143.9(6) . .
O6 V1 O1 C1 -75.0(7) . .
Na1 V1 O1 C1 -149.4(6) . .
O9 V1 O1 Na1 -101.1(3) . .
O2 V1 O1 Na1 150.9(3) . .
O5 V1 O1 Na1 5.5(3) . .
O6 V1 O1 Na1 74.4(4) . .
O8 Na1 O1 C1 -133.1(6) 2_656 .
O4 Na1 O1 C1 42.2(6) 3_666 .
O5 Na1 O1 C1 138.1(7) . .
O3 Na1 O1 C1 -44.4(6) . .
O10 Na1 O1 C1 -23.5(11) . .
O7 Na1 O1 C1 136.7(6) . .
V1 Na1 O1 C1 142.8(7) . .
O8 Na1 O1 V1 84.1(3) 2_656 .
O4 Na1 O1 V1 -100.6(3) 3_666 .
O5 Na1 O1 V1 -4.8(2) . .
O3 Na1 O1 V1 172.7(3) . .
O10 Na1 O1 V1 -166.4(7) . .
O7 Na1 O1 V1 -6.1(4) . .
O9 V1 O2 C2 -111.8(6) . .
O5 V1 O2 C2 65.5(7) . .
O6 V1 O2 C2 138.1(6) . .
O1 V1 O2 C2 -2.1(6) . .
Na1 V1 O2 C2 19.2(6) . .
O8 Na1 O3 C7 139.6(8) 2_656 .
O4 Na1 O3 C7 -43.4(8) 3_666 .
O1 Na1 O3 C7 43.6(8) . .
O5 Na1 O3 C7 46.6(9) . .
O10 Na1 O3 C7 -125.9(9) . .
O7 Na1 O3 C7 -139.2(10) . .
V1 Na1 O3 C7 47.5(8) . .
O9 V1 O5 C15 -104.6(6) . .
O2 V1 O5 C15 78.1(6) . .
O6 V1 O5 C15 3.1(5) . .
O1 V1 O5 C15 144.7(6) . .
Na1 V1 O5 C15 150.1(7) . .
O9 V1 O5 Na1 105.3(3) . .
O2 V1 O5 Na1 -72.0(4) . .
O6 V1 O5 Na1 -147.0(3) . .
O1 V1 O5 Na1 -5.4(3) . .
O8 Na1 O5 C15 124.9(7) 2_656 .
O4 Na1 O5 C15 -55.9(7) 3_666 .
O1 Na1 O5 C15 -139.2(7) . .
O3 Na1 O5 C15 -142.2(6) . .
O10 Na1 O5 C15 25.1(10) . .
O7 Na1 O5 C15 39.7(7) . .
V1 Na1 O5 C15 -143.9(8) . .
O8 Na1 O5 V1 -91.1(3) 2_656 .
O4 Na1 O5 V1 88.0(3) 3_666 .
O1 Na1 O5 V1 4.8(2) . .
O3 Na1 O5 V1 1.7(4) . .
O10 Na1 O5 V1 169.0(6) . .
O7 Na1 O5 V1 -176.3(3) . .
O9 V1 O6 C16 100.8(6) . .
O2 V1 O6 C16 -148.6(6) . .
O5 V1 O6 C16 -4.8(5) . .
O1 V1 O6 C16 -74.7(7) . .
Na1 V1 O6 C16 -29.2(6) . .
O8 Na1 O7 C21 -125.6(10) 2_656 .
O4 Na1 O7 C21 58.4(10) 3_666 .
O1 Na1 O7 C21 -31.0(11) . .
O5 Na1 O7 C21 -32.3(9) . .
O3 Na1 O7 C21 152.4(9) . .
O10 Na1 O7 C21 138.9(10) . .
V1 Na1 O7 C21 -34.3(10) . .
O8 Na1 O10 C29 -11(3) 2_656 .
O4 Na1 O10 C29 173(3) 3_666 .
O1 Na1 O10 C29 -121(3) . .
O5 Na1 O10 C29 88(3) . .
O3 Na1 O10 C29 -101(3) . .
O7 Na1 O10 C29 74(3) . .
V1 Na1 O10 C29 142(3) . .
V1 O1 C1 C6 177.7(6) . .
Na1 O1 C1 C6 37.2(11) . .
V1 O1 C1 C2 -0.7(9) . .
Na1 O1 C1 C2 -141.1(6) . .
V1 O2 C2 C3 -178.7(7) . .
V1 O2 C2 C1 2.3(9) . .
O1 C1 C2 O2 -1.0(11) . .
C6 C1 C2 O2 -179.5(7) . .
O1 C1 C2 C3 179.9(8) . .
C6 C1 C2 C3 1.5(13) . .
O2 C2 C3 C4 177.4(8) . .
C1 C2 C3 C4 -3.6(13) . .
C2 C3 C4 C5 3.1(13) . .
C3 C4 C5 C6 -0.4(13) . .
C3 C4 C5 C10 -178.0(8) . .
O1 C1 C6 C5 -177.1(8) . .
C2 C1 C6 C5 1.2(12) . .
O1 C1 C6 C7 0.8(13) . .
C2 C1 C6 C7 179.1(8) . .
C4 C5 C6 C1 -1.8(12) . .
C10 C5 C6 C1 175.8(8) . .
C4 C5 C6 C7 -179.7(8) . .
C10 C5 C6 C7 -2.1(12) . .
Na1 O3 C7 C6 -31.5(13) . .
Na1 O3 C7 C8 150.1(6) . .
C1 C6 C7 O3 -4.0(13) . .
C5 C6 C7 O3 173.8(8) . .
C1 C6 C7 C8 174.4(8) . .
C5 C6 C7 C8 -7.8(12) . .
O3 C7 C8 C9 -171.9(9) . .
C6 C7 C8 C9 9.6(13) . .
O3 C7 C8 C11 6.4(13) . .
C6 C7 C8 C11 -172.1(8) . .
C11 C8 C9 C14 0.9(14) . .
C7 C8 C9 C14 179.2(8) . .
C11 C8 C9 C10 -179.5(9) . .
C7 C8 C9 C10 -1.2(14) . .
Na1 O4 C10 C9 -95.2(10) 3_666 .
Na1 O4 C10 C5 87.4(11) 3_666 .
C8 C9 C10 O4 173.9(9) . .
C14 C9 C10 O4 -6.5(13) . .
C8 C9 C10 C5 -8.6(13) . .
C14 C9 C10 C5 171.0(8) . .
C4 C5 C10 O4 5.4(13) . .
C6 C5 C10 O4 -172.2(8) . .
C4 C5 C10 C9 -172.1(8) . .
C6 C5 C10 C9 10.3(12) . .
C9 C8 C11 C12 -1.5(15) . .
C7 C8 C11 C12 -179.8(9) . .
C8 C11 C12 C13 2.5(16) . .
C11 C12 C13 C14 -3.0(17) . .
C12 C13 C14 C9 2.5(16) . .
C8 C9 C14 C13 -1.4(14) . .
C10 C9 C14 C13 179.0(9) . .
V1 O5 C15 C20 179.6(7) . .
Na1 O5 C15 C20 -39.4(11) . .
V1 O5 C15 C16 -1.0(8) . .
Na1 O5 C15 C16 139.9(6) . .
V1 O6 C16 C17 -176.5(7) . .
V1 O6 C16 C15 5.7(9) . .
O5 C15 C16 O6 -3.1(10) . .
C20 C15 C16 O6 176.3(7) . .
O5 C15 C16 C17 178.9(7) . .
C20 C15 C16 C17 -1.7(12) . .
O6 C16 C17 C18 -177.4(8) . .
C15 C16 C17 C18 0.3(13) . .
C16 C17 C18 C19 -0.7(14) . .
C17 C18 C19 C20 2.3(14) . .
C17 C18 C19 C24 -178.9(9) . .
O5 C15 C20 C19 -177.4(8) . .
C16 C15 C20 C19 3.2(12) . .
O5 C15 C20 C21 3.8(13) . .
C16 C15 C20 C21 -175.5(8) . .
C18 C19 C20 C15 -3.5(12) . .
C24 C19 C20 C15 177.8(8) . .
C18 C19 C20 C21 175.2(8) . .
C24 C19 C20 C21 -3.5(12) . .
Na1 O7 C21 C20 17.9(15) . .
Na1 O7 C21 C22 -161.2(7) . .
C15 C20 C21 O7 7.9(13) . .
C19 C20 C21 O7 -170.8(9) . .
C15 C20 C21 C22 -173.1(8) . .
C19 C20 C21 C22 8.2(12) . .
O7 C21 C22 C23 173.3(9) . .
C20 C21 C22 C23 -5.8(13) . .
O7 C21 C22 C25 -6.3(14) . .
C20 C21 C22 C25 174.7(8) . .
C25 C22 C23 C28 1.2(13) . .
C21 C22 C23 C28 -178.4(8) . .
C25 C22 C23 C24 178.1(8) . .
C21 C22 C23 C24 -1.4(13) . .
Na1 O8 C24 C19 -63(2) 2_646 .
Na1 O8 C24 C23 118.4(16) 2_646 .
C18 C19 C24 O8 -0.8(14) . .
C20 C19 C24 O8 177.9(8) . .
C18 C19 C24 C23 177.6(8) . .
C20 C19 C24 C23 -3.7(13) . .
C28 C23 C24 O8 1.5(13) . .
C22 C23 C24 O8 -175.4(8) . .
C28 C23 C24 C19 -176.9(8) . .
C22 C23 C24 C19 6.2(12) . .
C23 C22 C25 C26 -2.2(14) . .
C21 C22 C25 C26 177.3(9) . .
C22 C25 C26 C27 2.2(15) . .
C25 C26 C27 C28 -1.1(15) . .
C26 C27 C28 C23 0.1(15) . .
C22 C23 C28 C27 -0.1(14) . .
C24 C23 C28 C27 -177.1(9) . .
Na1 O10 C29 N1 106(3) . .
C31 N1 C29 O10 -174(2) . .
C30 N1 C29 O10 12(3) . .
C35 N2 C32 C33 -28.5(18) . .
N2 C32 C33 C34 49.4(18) . .
C35 N3 C34 C33 25.4(18) . .
C32 C33 C34 N3 -48.1(18) . .
C32 N2 C35 N3 8.6(18) . .
C34 N3 C35 N2 -6.7(17) . .
C38 N4 C36 O11 18(19) . .
C37 N4 C36 O11 178(6) . .
