#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:33:55 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180015 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/09/7030970.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_7030970
loop_
_publ_author_name
'Sahoo, Dipankar'
'Suriyanarayanan, Ramakirushnan'
'Chandrasekhar, Vadapalli'
_publ_section_title
;
 Di-, tri- and tetranuclear molecular vanadium phosphonates: a chloride
 encapsulated tetranuclear bowl.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10898
_journal_page_last               10909
_journal_paper_doi               10.1039/c4dt00720d
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C32 H40 N4 O10 P2 V2, 2(Cl)'
_chemical_formula_sum            'C32 H40 Cl2 N4 O10 P2 V2'
_chemical_formula_weight         875.40
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-04-05
_audit_creation_method
;
Olex2 1.2
(compiled 2013.11.15 svn.r2834 for OlexSys, GUI svn.r4720)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.079(5)
_cell_length_b                   18.583(5)
_cell_length_c                   10.924(5)
_cell_measurement_reflns_used    2632
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.94
_cell_measurement_theta_min      2.19
_cell_volume                     3873(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Burla et al., 2007)'
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1282
_diffrn_reflns_av_unetI/netI     0.0818
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            19242
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.19
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.078127
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v.2.10 (Bruker,2003) was used for absorption correction. R(int) was 0.1488 before and 0.0496 after correction. The Ratio of minimum to maximum transmission is 0.0781. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.084
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.080
_refine_diff_density_min         -1.516
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0673
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0727P)²+7.0044P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1670
_reflns_number_gt                2816
_reflns_number_total             3652
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00720d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7030970--7030975.cif.'
_cod_database_code               7030970
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O6) = Uanis(O2)
Uanis(C9) = Uanis(C8)
3. Others
 Fixed Sof: H14B(0.5) H14C(0.5) H17A(0.5) H17B(0.5) H17C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6A), C7(H7), C10(H10), C11(H11), C12(H12)
4.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,
 H18C)
4.c Idealised tetrahedral OH refined as rotating group:
 O2(H2A), O6(H6)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z+1/2'
4 '-x, y+1/2, -z'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z-1/2'
8 'x, -y-1/2, 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_posn
_atom_site_refinement_flags_adp
H4 H 0.578(5) 0.2500 0.136(8) 0.05(3) Uiso 1 2 d S T
V1 V 0.56902(4) 0.11339(4) 0.45577(7) 0.0217(2) Uani 1 1 d . .
Cl1 Cl 0.69204(8) 0.2500 0.15677(14) 0.0245(4) Uani 1 2 d S T
Cl2 Cl 0.77854(8) 0.2500 0.54735(14) 0.0265(4) Uani 1 2 d S T
P1 P 0.59248(8) 0.2500 0.66107(14) 0.0183(4) Uani 1 2 d S T
P2 P 0.51371(8) 0.2500 0.27251(14) 0.0185(4) Uani 1 2 d S T
O1 O 0.49575(16) 0.08070(19) 0.4977(3) 0.0325(8) Uani 1 1 d . .
O2 O 0.68012(15) 0.14692(19) 0.3891(3) 0.0235(6) Uani 1 1 d . .
H2A H 0.6967 0.1765 0.4366 0.035 Uiso 1 1 calc GR .
O3 O 0.53944(16) 0.18208(19) 0.3313(3) 0.0346(9) Uani 1 1 d . .
O4 O 0.5363(3) 0.2500 0.1349(4) 0.0371(14) Uani 1 2 d S T
O5 O 0.58743(18) 0.18221(19) 0.5876(3) 0.0334(8) Uani 1 1 d . .
O6 O 0.6638(2) 0.2500 0.7340(4) 0.0235(6) Uani 1 2 d S T
H6 H 0.6966 0.2500 0.6855 0.035 Uiso 1 2 calc GRS T
N1 N 0.59003(18) 0.0381(2) 0.3124(3) 0.0236(9) Uani 1 1 d . .
N2 N 0.63393(18) 0.0369(2) 0.5448(3) 0.0214(8) Uani 1 1 d . .
C1 C 0.5692(2) 0.0407(3) 0.1960(5) 0.0333(12) Uani 1 1 d . .
H1 H 0.5411 0.0788 0.1708 0.040 Uiso 1 1 calc R .
C2 C 0.5880(3) -0.0115(3) 0.1107(5) 0.0394(14) Uani 1 1 d . .
H2 H 0.5726 -0.0077 0.0302 0.047 Uiso 1 1 calc R .
C3 C 0.6289(2) -0.0683(3) 0.1453(5) 0.0349(12) Uani 1 1 d . .
H3 H 0.6414 -0.1035 0.0890 0.042 Uiso 1 1 calc R .
C4 C 0.6519(2) -0.0726(3) 0.2670(4) 0.0265(11) Uani 1 1 d . .
C5 C 0.6315(2) -0.0177(2) 0.3469(4) 0.0203(10) Uani 1 1 d . .
C6 C 0.6967(2) -0.1290(3) 0.3110(5) 0.0305(11) Uani 1 1 d . .
H6A H 0.7096 -0.1660 0.2583 0.037 Uiso 1 1 calc R .
C7 C 0.7204(2) -0.1293(3) 0.4277(5) 0.0283(11) Uani 1 1 d . .
H7 H 0.7503 -0.1657 0.4536 0.034 Uiso 1 1 calc R .
C8 C 0.6998(2) -0.0736(2) 0.5125(4) 0.0238(7) Uani 1 1 d . .
C9 C 0.6557(2) -0.0180(2) 0.4716(4) 0.0238(7) Uani 1 1 d . .
C10 C 0.7214(2) -0.0709(3) 0.6361(4) 0.0287(11) Uani 1 1 d . .
H10 H 0.7511 -0.1061 0.6673 0.034 Uiso 1 1 calc R .
C11 C 0.6986(2) -0.0167(3) 0.7089(4) 0.0287(11) Uani 1 1 d . .
H11 H 0.7116 -0.0152 0.7910 0.034 Uiso 1 1 calc R .
C12 C 0.6556(2) 0.0370(3) 0.6604(4) 0.0258(11) Uani 1 1 d . .
H12 H 0.6414 0.0744 0.7112 0.031 Uiso 1 1 calc R .
C13 C 0.4192(3) 0.2500 0.2639(6) 0.0216(14) Uani 1 2 d S T
C14 C 0.3918(3) 0.2500 0.3954(6) 0.0297(17) Uani 1 2 d S T
H14A H 0.3414 0.2501 0.3946 0.045 Uiso 1 2 calc GRS T
H14B H 0.4084 0.2921 0.4372 0.045 Uiso 0.50 1 calc GR .
H14C H 0.4082 0.2077 0.4371 0.045 Uiso 0.50 1 calc GR .
C15 C 0.3949(2) 0.1820(3) 0.1973(5) 0.0325(12) Uani 1 1 d . .
H15A H 0.3446 0.1797 0.1984 0.049 Uiso 1 1 calc GR .
H15B H 0.4138 0.1404 0.2375 0.049 Uiso 1 1 calc GR .
H15C H 0.4110 0.1833 0.1140 0.049 Uiso 1 1 calc GR .
C16 C 0.5279(3) 0.2500 0.7820(6) 0.0232(14) Uani 1 2 d S T
C17 C 0.4549(3) 0.2500 0.7226(7) 0.0344(18) Uani 1 2 d S T
H17A H 0.4468 0.2045 0.6835 0.052 Uiso 0.50 1 calc GR .
H17B H 0.4523 0.2878 0.6628 0.052 Uiso 0.50 1 calc GR .
H17C H 0.4199 0.2577 0.7844 0.052 Uiso 0.50 1 calc GR .
C18 C 0.5372(3) 0.3184(3) 0.8600(4) 0.0344(12) Uani 1 1 d . .
H18A H 0.5281 0.3601 0.8105 0.052 Uiso 1 1 calc GR .
H18B H 0.5843 0.3205 0.8906 0.052 Uiso 1 1 calc GR .
H18C H 0.5050 0.3173 0.9275 0.052 Uiso 1 1 calc GR .
H2B H 0.682(3) 0.185(3) 0.327(6) 0.07(2) Uiso 1 1 d . .
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'
Cl Cl 0.1484 0.1585 '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
O1 V1 O2 173.06(16) . .
O1 V1 O3 101.34(16) . .
O1 V1 O5 101.24(16) . .
O1 V1 N1 97.23(16) . .
O1 V1 N2 97.17(16) . .
O3 V1 O2 82.52(13) . .
O3 V1 O5 97.89(16) . .
O3 V1 N1 88.40(15) . .
O3 V1 N2 158.12(14) . .
O5 V1 O2 83.81(12) . .
O5 V1 N1 158.86(14) . .
O5 V1 N2 89.77(15) . .
N1 V1 O2 76.99(13) . .
N2 V1 O2 77.95(13) . .
N2 V1 N1 77.74(14) . .
O5 P1 O5 114.7(3) 8_565 .
O5 P1 O6 109.04(17) 8_565 .
O5 P1 O6 109.04(17) . .
O5 P1 C16 110.38(16) 8_565 .
O5 P1 C16 110.38(16) . .
O6 P1 C16 102.6(3) . .
O3 P2 O3 114.7(3) 8_565 .
O3 P2 O4 108.79(17) 8_565 .
O3 P2 O4 108.79(17) . .
O3 P2 C13 110.45(16) 8_565 .
O3 P2 C13 110.45(16) . .
O4 P2 C13 103.0(3) . .
V1 O2 H2A 109.5 . .
V1 O2 H2B 116(4) . .
H2A O2 H2B 86.7 . .
P2 O3 V1 161.0(3) . .
P2 O4 H4 105(6) . .
P1 O5 V1 162.9(2) . .
P1 O6 H6 109.5 . .
C1 N1 V1 128.3(4) . .
C1 N1 C5 117.8(4) . .
C5 N1 V1 113.9(3) . .
C9 N2 V1 114.3(3) . .
C12 N2 V1 128.0(3) . .
C12 N2 C9 117.7(4) . .
N1 C1 H1 118.8 . .
N1 C1 C2 122.5(5) . .
C2 C1 H1 118.8 . .
C1 C2 H2 120.0 . .
C3 C2 C1 120.0(5) . .
C3 C2 H2 120.0 . .
C2 C3 H3 120.5 . .
C2 C3 C4 119.0(5) . .
C4 C3 H3 120.5 . .
C3 C4 C6 123.0(5) . .
C5 C4 C3 117.6(5) . .
C5 C4 C6 119.3(4) . .
N1 C5 C4 123.1(4) . .
N1 C5 C9 117.0(4) . .
C4 C5 C9 119.9(4) . .
C4 C6 H6A 119.4 . .
C7 C6 C4 121.1(5) . .
C7 C6 H6A 119.4 . .
C6 C7 H7 119.6 . .
C6 C7 C8 120.8(5) . .
C8 C7 H7 119.6 . .
C9 C8 C7 119.1(4) . .
C9 C8 C10 116.9(4) . .
C10 C8 C7 124.0(4) . .
N2 C9 C5 117.0(4) . .
N2 C9 C8 123.2(4) . .
C8 C9 C5 119.8(4) . .
C8 C10 H10 120.2 . .
C11 C10 C8 119.5(4) . .
C11 C10 H10 120.2 . .
C10 C11 H11 120.1 . .
C10 C11 C12 119.8(4) . .
C12 C11 H11 120.1 . .
N2 C12 C11 122.9(5) . .
N2 C12 H12 118.6 . .
C11 C12 H12 118.6 . .
C14 C13 P2 107.0(4) . .
C14 C13 C15 110.1(3) . 8_565
C14 C13 C15 110.1(3) . .
C15 C13 P2 109.1(3) . .
C15 C13 P2 109.1(3) 8_565 .
C15 C13 C15 111.3(5) . 8_565
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 P1 108.0(4) . .
C17 C16 C18 109.7(3) . .
C17 C16 C18 109.7(3) . 8_565
C18 C16 P1 109.0(3) . .
C18 C16 P1 109.0(3) 8_565 .
C18 C16 C18 111.2(5) . 8_565
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
V1 O1 1.592(3) .
V1 O2 2.326(3) .
V1 O3 1.948(3) .
V1 O5 1.958(4) .
V1 N1 2.138(4) .
V1 N2 2.122(4) .
P1 O5 1.497(3) 8_565
P1 O5 1.497(3) .
P1 O6 1.576(4) .
P1 C16 1.806(6) .
P2 O3 1.499(3) 8_565
P2 O3 1.499(3) .
P2 O4 1.564(5) .
P2 C13 1.806(6) .
O2 H2A 0.8200 .
O2 H2B 0.98(7) .
O4 H4 0.80(9) .
O6 H6 0.8200 .
N1 C1 1.333(6) .
N1 C5 1.357(6) .
N2 C9 1.361(6) .
N2 C12 1.329(6) .
C1 H1 0.9300 .
C1 C2 1.391(7) .
C2 H2 0.9300 .
C2 C3 1.366(8) .
C3 H3 0.9300 .
C3 C4 1.402(7) .
C4 C5 1.398(6) .
C4 C6 1.435(7) .
C5 C9 1.438(6) .
C6 H6A 0.9300 .
C6 C7 1.354(7) .
C7 H7 0.9300 .
C7 C8 1.443(7) .
C8 C9 1.405(6) .
C8 C10 1.412(7) .
C10 H10 0.9300 .
C10 C11 1.357(7) .
C11 H11 0.9300 .
C11 C12 1.396(7) .
C12 H12 0.9300 .
C13 C14 1.529(9) .
C13 C15 1.530(6) .
C13 C15 1.530(6) 8_565
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.537(9) .
C16 C18 1.541(6) .
C16 C18 1.541(6) 8_565
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 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
V1 N1 C1 C2 178.6(4) . .
V1 N1 C5 C4 -179.6(3) . .
V1 N1 C5 C9 -0.7(5) . .
V1 N2 C9 C5 -1.0(5) . .
V1 N2 C9 C8 179.1(3) . .
V1 N2 C12 C11 -179.9(3) . .
O1 V1 O3 P2 84.8(7) . .
O1 V1 O5 P1 -97.4(8) . .
O1 V1 N1 C1 86.3(4) . .
O1 V1 N1 C5 -95.7(3) . .
O1 V1 N2 C9 96.4(3) . .
O1 V1 N2 C12 -84.3(4) . .
O2 V1 O3 P2 -101.0(7) . .
O2 V1 O5 P1 87.4(7) . .
O2 V1 N1 C1 -97.7(4) . .
O2 V1 N1 C5 80.4(3) . .
O2 V1 N2 C9 -78.6(3) . .
O2 V1 N2 C12 100.7(4) . .
O3 V1 O5 P1 5.9(8) . .
O3 V1 N1 C1 -15.0(4) . .
O3 V1 N1 C5 163.1(3) . .
O3 V1 N2 C9 -51.4(5) . .
O3 V1 N2 C12 128.0(4) . .
O3 P2 O3 V1 36.5(8) 8_565 .
O3 P2 C13 C14 63.97(18) . .
O3 P2 C13 C14 -63.97(18) 8_565 .
O3 P2 C13 C15 55.1(4) 8_565 8_565
O3 P2 C13 C15 -176.9(3) . 8_565
O3 P2 C13 C15 -55.1(4) . .
O3 P2 C13 C15 176.9(3) 8_565 .
O4 P2 O3 V1 158.6(6) . .
O4 P2 C13 C14 180.0 . .
O4 P2 C13 C15 60.9(3) . .
O4 P2 C13 C15 -60.9(3) . 8_565
O5 V1 O3 P2 -18.4(7) . .
O5 V1 N1 C1 -122.9(5) . .
O5 V1 N1 C5 55.1(6) . .
O5 V1 N2 C9 -162.3(3) . .
O5 V1 N2 C12 17.0(4) . .
O5 P1 O5 V1 -17.9(9) 8_565 .
O5 P1 C16 C17 63.89(18) 8_565 .
O5 P1 C16 C17 -63.89(18) . .
O5 P1 C16 C18 55.3(4) . 8_565
O5 P1 C16 C18 -176.9(3) 8_565 8_565
O5 P1 C16 C18 176.9(3) . .
O5 P1 C16 C18 -55.3(4) 8_565 .
O6 P1 O5 V1 -140.4(7) . .
O6 P1 C16 C17 180.0 . .
O6 P1 C16 C18 60.8(3) . .
O6 P1 C16 C18 -60.8(3) . 8_565
N1 V1 O3 P2 -178.1(7) . .
N1 V1 O5 P1 112.2(8) . .
N1 V1 N2 C9 0.5(3) . .
N1 V1 N2 C12 179.8(4) . .
N1 C1 C2 C3 0.3(8) . .
N1 C5 C9 N2 1.1(6) . .
N1 C5 C9 C8 -178.9(4) . .
N2 V1 O3 P2 -127.9(6) . .
N2 V1 O5 P1 165.3(7) . .
N2 V1 N1 C1 -177.9(4) . .
N2 V1 N1 C5 0.1(3) . .
C1 N1 C5 C4 -1.3(6) . .
C1 N1 C5 C9 177.6(4) . .
C1 C2 C3 C4 -0.5(7) . .
C2 C3 C4 C5 -0.2(7) . .
C2 C3 C4 C6 -178.2(5) . .
C3 C4 C5 N1 1.2(6) . .
C3 C4 C5 C9 -177.7(4) . .
C3 C4 C6 C7 176.8(5) . .
C4 C5 C9 N2 -179.9(4) . .
C4 C5 C9 C8 0.1(6) . .
C4 C6 C7 C8 1.6(7) . .
C5 N1 C1 C2 0.6(7) . .
C5 C4 C6 C7 -1.1(7) . .
C6 C4 C5 N1 179.2(4) . .
C6 C4 C5 C9 0.3(6) . .
C6 C7 C8 C9 -1.2(7) . .
C6 C7 C8 C10 178.9(4) . .
C7 C8 C9 N2 -179.7(4) . .
C7 C8 C9 C5 0.4(6) . .
C7 C8 C10 C11 -179.3(4) . .
C8 C10 C11 C12 -1.7(7) . .
C9 N2 C12 C11 -0.6(6) . .
C9 C8 C10 C11 0.8(6) . .
C10 C8 C9 N2 0.2(6) . .
C10 C8 C9 C5 -179.7(4) . .
C10 C11 C12 N2 1.7(7) . .
C12 N2 C9 C5 179.6(4) . .
C12 N2 C9 C8 -0.3(6) . .
C13 P2 O3 V1 -89.1(7) . .
C16 P1 O5 V1 107.5(7) . .
