#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/75/2007575.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2007575
loop_
_publ_author_name
Ramalingam,Kuppukkannu
'Shawkataly, Omar bin'
'Fun, Hoong-Kun'
'Ibrahim,Abdul Razak'
_publ_section_title
;[1,4-Bis(diphenylphosphino)butane-P,P'](N,N'-diethyldithiocarbamato-S,S')nickel(II)
 Perchlorate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1223
_journal_page_last               1225
_journal_paper_doi               10.1107/S0108270198001917
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Ni(C5 H10 N S2) (C28 H28 P2)](Cl O4)'
_chemical_formula_sum            'C33 H38 Cl N Ni O4 P2 S2'
_chemical_formula_weight         732.86
_chemical_name_systematic
;
(1,4-bis(diphenylphosphino-k,P,P')butane)(N,N'-diethyldithiocarbamato)-
nickel(II) perchlorate.
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 100.010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.9510(10)
_cell_length_b                   9.1040(10)
_cell_length_c                   20.842(2)
_cell_measurement_reflns_used    41
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.75
_cell_volume                     3541.1(6)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        XSCANS
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material
'SHELXL93. Geometric calculations: PARST (Nardelli, 1983)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC(Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4 diffractometer'
_diffrn_measurement_method       'θ/2θ 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  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9858
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.868
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.521
_exptl_absorpt_correction_type   'Empirical \y scans (Siemens, 1994)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'Irregular plate'
_exptl_crystal_F_000             1528
_exptl_crystal_size_max          0.86
_exptl_crystal_size_mid          0.62
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.945
_refine_ls_goodness_of_fit_obs   1.076
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         8049
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.944
_refine_ls_restrained_S_obs      1.076
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_obs          .0441
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0808P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1314
_refine_ls_wR_factor_obs         .1193
_reflns_number_observed          5275
_reflns_number_total             8049
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ab1521.cif
_cod_data_source_block           omar37a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0808P)^2^] where P=(Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0808P)^2^]
where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3541.1(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2007575
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ni .74206(2) .40134(4) .03080(2) .04972(12) Uani d . 1 . Ni
Cl .97168(6) .40600(12) -.21429(6) .0998(3) Uani d . 1 . Cl
S1 .77093(4) .25983(9) .11748(3) .0638(2) Uani d . 1 . S
S2 .65959(5) .46284(13) .08878(4) .0917(3) Uani d . 1 . S
P1 .83029(4) .32399(8) -.01611(3) .0502(2) Uani d . 1 . P
P2 .69092(4) .53333(8) -.05247(3) .0534(2) Uani d . 1 . P
O1 1.0057(2) .3494(5) -.1560(2) .1568(15) Uani d . 1 . O
O2 1.0206(2) .4804(5) -.2451(2) .201(2) Uani d . 1 . O
O3 .9174(2) .5011(4) -.20143(15) .1224(11) Uani d . 1 . O
O4 .9423(3) .2848(6) -.2499(2) .190(2) Uani d . 1 . O
N .6664(2) .2845(4) .19079(13) .0848(9) Uani d . 1 . N
C1 .6541(2) .7076(3) -.03166(14) .0594(7) Uani d . 1 . C
C2 .6869(2) .7850(4) .0221(2) .0773(9) Uani d . 1 . C
C3 .6601(3) .9227(5) .0357(3) .0984(14) Uani d . 1 . C
C4 .6022(3) .9786(5) -.0033(3) .108(2) Uani d . 1 . C
C5 .5698(3) .9051(5) -.0569(3) .0966(14) Uani d . 1 . C
C6 .5950(2) .7690(4) -.0716(2) .0758(9) Uani d . 1 . C
C7 .6140(2) .4320(3) -.09505(14) .0613(7) Uani d . 1 . C
C8 .6139(2) .3720(5) -.1570(2) .0880(11) Uani d . 1 . C
C9 .5556(3) .2829(5) -.1852(2) .111(2) Uani d . 1 . C
C10 .4998(3) .2550(5) -.1523(3) .1048(14) Uani d . 1 . C
C11 .5002(2) .3153(5) -.0928(3) .0960(13) Uani d . 1 . C
C12 .5571(2) .4013(4) -.0648(2) .0783(10) Uani d . 1 . C
C13 .79865(14) .2104(3) -.08712(12) .0523(6) Uani d . 1 . C
C14 .7350(2) .1361(4) -.0917(2) .0634(8) Uani d . 1 . C
C15 .7104(2) .0476(4) -.1438(2) .0769(9) Uani d . 1 . C
C16 .7491(2) .0330(5) -.1933(2) .0821(10) Uani d . 1 . C
C17 .8130(2) .1039(5) -.1891(2) .0908(12) Uani d . 1 . C
C18 .8381(2) .1933(5) -.1365(2) .0758(10) Uani d . 1 . C
C19 .89475(14) .2073(3) .03537(13) .0564(7) Uani d . 1 . C
C20 .8943(2) .0574(4) .0290(2) .0886(12) Uani d . 1 . C
C21 .9416(3) -.0289(6) .0707(2) .116(2) Uani d . 1 . C
C22 .9910(2) .0361(7) .1177(2) .105(2) Uani d . 1 . C
C23 .9925(2) .1823(7) .1251(2) .0942(13) Uani d . 1 . C
C24 .9438(2) .2705(5) .0844(2) .0772(9) Uani d . 1 . C
C25 .7440(2) .5851(4) -.1147(2) .0746(10) Uani d . 1 . C
C26 .8068(2) .6852(4) -.0912(2) .0872(11) Uani d . 1 . C
C27 .8595(2) .6282(4) -.0337(2) .0776(10) Uani d . 1 . C
C28 .8866(2) .4729(4) -.0407(2) .0674(8) Uani d . 1 . C
C29 .6946(2) .3265(4) .14097(13) .0615(7) Uani d . 1 . C
C30 .6993(3) .1648(6) .2335(2) .141(2) Uani d D 1 . C
H30A .6904(3) .1864(6) .2769(2) .080 Uiso calc PR .50 1 H
H30B .7507(3) .1720(6) .2353(2) .080 Uiso calc PR .50 1 H
H30C .7464(3) .1511(6) .2234(2) .080 Uiso d PR .50 . H
H30D .6735(3) .0751(6) .2224(2) .080 Uiso d PR .50 . H
C31A .6794(7) .0070(8) .2200(7) .210(8) Uani d PD .50 1 C
H31A .7064(7) -.0539(8) .2530(7) .315 Uiso calc PR .50 1 H
H31B .6899(7) -.0202(8) .1781(7) .315 Uiso calc PR .50 1 H
H31C .6291(7) -.0058(8) .2201(7) .315 Uiso calc PR .50 1 H
C31B .7242(12) .2195(16) .3015(4) .344(18) Uani d PD .50 2 C
H31D .7454(12) .1400(16) .3284(4) .515 Uiso calc PR .50 2 H
H31E .6841(12) .2577(16) .3187(4) .515 Uiso calc PR .50 2 H
H31F .7591(12) .2958(16) .3010(4) .515 Uiso calc PR .50 2 H
C32 .5989(2) .3501(6) .2055(2) .114(2) Uani d . 1 . C
H32A .5720(2) .2748(6) .2237(2) .136 Uiso calc R 1 . H
H32B .5700(2) .3837(6) .1652(2) .136 Uiso calc R 1 . H
C33 .6119(3) .4767(9) .2524(3) .179(3) Uani d . 1 . C
H33A .5669(3) .5145(9) .2601(3) .268 Uiso calc R 1 . H
H33B .6376(3) .5527(9) .2343(3) .268 Uiso calc R 1 . H
H33C .6397(3) .4437(9) .2928(3) .268 Uiso calc R 1 . H
H2 .7309(19) .745(4) .0533(17) .082(10) Uiso d . 1 . H
H3 .684(2) .972(5) .071(2) .107(14) Uiso d . 1 . H
H4 .579(3) 1.058(6) .001(3) .15(2) Uiso d . 1 . H
H5 .531(3) .948(6) -.078(2) .134(19) Uiso d . 1 . H
H6 .578(2) .730(5) -.105(2) .115(18) Uiso d . 1 . H
H8 .6544(18) .390(4) -.1810(17) .079(10) Uiso d . 1 . H
H9 .570(3) .231(6) -.234(3) .159(18) Uiso d . 1 . H
H10 .449(2) .181(4) -.1718(18) .099(11) Uiso d . 1 . H
H11 .468(3) .283(6) -.071(2) .14(2) Uiso d . 1 . H
H12 .558(2) .436(4) -.0295(18) .092(14) Uiso d . 1 . H
H14 .7137(17) .147(4) -.0645(16) .070(10) Uiso d . 1 . H
H15 .6677(19) -.004(5) -.1471(17) .094(12) Uiso d . 1 . H
H16 .7295(18) -.025(4) -.2294(17) .089(11) Uiso d . 1 . H
H17 .835(2) .106(4) -.2235(19) .090(11) Uiso d . 1 . H
H18 .877(2) .240(4) -.1329(18) .090(12) Uiso d . 1 . H
H20 .8574(18) .005(5) -.0039(17) .096(12) Uiso d . 1 . H
H21 .939(2) -.132(5) .0689(19) .101(13) Uiso d . 1 . H
H22 1.023(2) -.025(6) .141(2) .129(16) Uiso d . 1 . H
H23 1.0230(19) .237(4) .1535(18) .086(11) Uiso d . 1 . H
H24 .9463(15) .371(4) .0915(14) .058(9) Uiso d . 1 . H
H25A .7180(17) .620(4) -.1455(16) .074(11) Uiso d . 1 . H
H25B .7580(18) .486(4) -.1328(16) .089(11) Uiso d . 1 . H
H26A .838(2) .708(5) -.132(2) .122(14) Uiso d . 1 . H
H26B .7899(16) .785(4) -.0786(14) .069(9) Uiso d . 1 . H
H27A .8975(18) .678(4) -.0275(16) .076(10) Uiso d . 1 . H
H27B .8371(16) .634(3) .0046(15) .061(8) Uiso d . 1 . H
H28A .8922(16) .462(4) -.0839(15) .066(9) Uiso d . 1 . H
H28B .937(2) .460(4) -.0074(19) .104(12) Uiso d . 1 . H
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'
S S 0.1246 0.1234 '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'
Ni Ni 0.3393 1.1124 '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_publ_flag
P2 Ni P1 95.12(3) yes
P2 Ni S2 92.10(3) ?
P1 Ni S2 172.77(3) ?
P2 Ni S1 168.31(3) ?
P1 Ni S1 94.46(3) ?
S2 Ni S1 78.38(3) yes
O1 Cl O4 104.9(3) ?
O1 Cl O2 110.0(3) ?
O4 Cl O2 112.1(3) ?
O1 Cl O3 108.0(2) ?
O4 Cl O3 110.6(3) ?
O2 Cl O3 110.9(2) ?
C29 S1 Ni 85.74(10) yes
C29 S2 Ni 86.02(10) yes
C13 P1 C19 103.91(13) ?
C13 P1 C28 108.35(15) ?
C19 P1 C28 103.32(15) ?
C13 P1 Ni 112.08(9) ?
C19 P1 Ni 114.18(9) ?
C28 P1 Ni 114.13(11) ?
C1 P2 C7 104.50(14) ?
C1 P2 C25 103.0(2) ?
C7 P2 C25 106.0(2) ?
C1 P2 Ni 115.15(10) ?
C7 P2 Ni 108.32(9) ?
C25 P2 Ni 118.63(13) ?
C29 N C30 120.5(3) ?
C29 N C32 122.1(3) ?
C30 N C32 117.4(3) ?
C2 C1 C6 118.9(3) ?
C2 C1 P2 120.2(2) ?
C6 C1 P2 120.7(3) ?
C1 C2 C3 119.7(4) ?
C4 C3 C2 120.1(5) ?
C3 C4 C5 121.1(4) ?
C4 C5 C6 120.1(5) ?
C5 C6 C1 120.0(4) ?
C12 C7 C8 118.0(4) ?
C12 C7 P2 120.4(3) ?
C8 C7 P2 121.3(3) ?
C7 C8 C9 118.9(4) ?
C10 C9 C8 120.7(4) ?
C11 C10 C9 119.7(5) ?
C10 C11 C12 119.9(5) ?
C7 C12 C11 122.7(4) ?
C14 C13 C18 118.4(3) ?
C14 C13 P1 119.9(2) ?
C18 C13 P1 121.7(2) ?
C15 C14 C13 121.4(3) ?
C14 C15 C16 120.0(4) ?
C17 C16 C15 119.5(4) ?
C16 C17 C18 120.6(4) ?
C13 C18 C17 120.1(3) ?
C20 C19 C24 118.6(3) ?
C20 C19 P1 122.1(2) ?
C24 C19 P1 119.3(3) ?
C19 C20 C21 120.9(4) ?
C22 C21 C20 119.6(5) ?
C23 C22 C21 120.8(4) ?
C22 C23 C24 120.2(4) ?
C19 C24 C23 120.0(4) ?
C26 C25 P2 115.0(3) yes
C25 C26 C27 115.1(3) yes
C26 C27 C28 115.4(3) yes
C27 C28 P1 115.7(2) yes
N C29 S2 123.5(3) yes
N C29 S1 127.2(2) yes
S2 C29 S1 109.21(15) yes
N C30 C31B 110.8(6) ?
N C30 C31A 121.9(7) ?
N C32 C33 113.0(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni P2 . 2.1932(8) yes
Ni P1 . 2.1945(7) yes
Ni S2 . 2.2075(8) yes
Ni S1 . 2.2089(8) yes
Cl O1 . 1.373(4) yes
Cl O4 . 1.391(5) yes
Cl O2 . 1.392(3) yes
Cl O3 . 1.406(3) yes
S1 C29 . 1.717(3) yes
S2 C29 . 1.707(3) yes
P1 C13 . 1.819(3) yes
P1 C19 . 1.821(3) yes
P1 C28 . 1.852(3) yes
P2 C1 . 1.816(3) yes
P2 C7 . 1.821(3) yes
P2 C25 . 1.836(3) yes
N C29 . 1.305(4) yes
N C30 . 1.475(5) yes
N C32 . 1.490(5) yes
C1 C2 . 1.377(5) ?
C1 C6 . 1.391(5) ?
C2 C3 . 1.399(5) ?
C3 C4 . 1.348(7) ?
C4 C5 . 1.354(7) ?
C5 C6 . 1.382(5) ?
C7 C12 . 1.369(5) ?
C7 C8 . 1.401(4) ?
C8 C9 . 1.412(6) ?
C9 C10 . 1.380(7) ?
C10 C11 . 1.355(7) ?
C11 C12 . 1.378(6) ?
C13 C14 . 1.372(4) ?
C13 C18 . 1.382(4) ?
C14 C15 . 1.367(5) ?
C15 C16 . 1.373(5) ?
C16 C17 . 1.362(6) ?
C17 C18 . 1.382(5) ?
C19 C20 . 1.371(5) ?
C19 C24 . 1.381(4) ?
C20 C21 . 1.381(5) ?
C21 C22 . 1.367(7) ?
C22 C23 . 1.339(7) ?
C23 C24 . 1.395(5) ?
C25 C26 . 1.512(6) ?
C26 C27 . 1.512(6) ?
C27 C28 . 1.520(5) ?
C30 C31B . 1.4991(10) ?
C30 C31A . 1.4996(10) ?
C32 C33 . 1.504(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
P2 Ni S1 C29 -30.7(2)
P1 Ni S1 C29 -175.65(11)
S2 Ni S1 C29 5.27(11)
P2 Ni S2 C29 167.86(11)
P1 Ni S2 C29 -12.6(4)
S1 Ni S2 C29 -5.30(11)
P2 Ni P1 C13 -64.06(10)
S2 Ni P1 C13 116.5(3)
S1 Ni P1 C13 109.24(10)
P2 Ni P1 C19 178.13(11)
S2 Ni P1 C19 -1.4(4)
S1 Ni P1 C19 -8.57(11)
P2 Ni P1 C28 59.58(14)
S2 Ni P1 C28 -119.9(4)
S1 Ni P1 C28 -127.12(14)
P1 Ni P2 C1 -141.26(11)
S2 Ni P2 C1 38.67(11)
S1 Ni P2 C1 73.8(2)
P1 Ni P2 C7 102.19(11)
S2 Ni P2 C7 -77.87(11)
S1 Ni P2 C7 -42.8(2)
P1 Ni P2 C25 -18.6(2)
S2 Ni P2 C25 161.3(2)
S1 Ni P2 C25 -163.6(2)
C7 P2 C1 C2 152.2(3)
C25 P2 C1 C2 -97.2(3)
Ni P2 C1 C2 33.5(3)
C7 P2 C1 C6 -31.6(3)
C25 P2 C1 C6 79.0(3)
Ni P2 C1 C6 -150.3(2)
C6 C1 C2 C3 0.5(5)
P2 C1 C2 C3 176.7(3)
C1 C2 C3 C4 0.5(6)
C2 C3 C4 C5 -1.4(7)
C3 C4 C5 C6 1.4(7)
C4 C5 C6 C1 -0.4(6)
C2 C1 C6 C5 -0.5(5)
P2 C1 C6 C5 -176.8(3)
C1 P2 C7 C12 -59.4(3)
C25 P2 C7 C12 -167.8(3)
Ni P2 C7 C12 63.9(3)
C1 P2 C7 C8 126.4(3)
C25 P2 C7 C8 18.0(3)
Ni P2 C7 C8 -110.3(3)
C12 C7 C8 C9 -0.2(5)
P2 C7 C8 C9 174.2(3)
C7 C8 C9 C10 -0.2(6)
C8 C9 C10 C11 1.0(7)
C9 C10 C11 C12 -1.5(7)
C8 C7 C12 C11 -0.4(5)
P2 C7 C12 C11 -174.8(3)
C10 C11 C12 C7 1.3(6)
C19 P1 C13 C14 98.5(2)
C28 P1 C13 C14 -152.1(2)
Ni P1 C13 C14 -25.2(3)
C19 P1 C13 C18 -79.7(3)
C28 P1 C13 C18 29.7(3)
Ni P1 C13 C18 156.5(2)
C18 C13 C14 C15 -0.4(5)
P1 C13 C14 C15 -178.7(3)
C13 C14 C15 C16 -0.7(5)
C14 C15 C16 C17 1.8(6)
C15 C16 C17 C18 -1.8(7)
C14 C13 C18 C17 0.4(5)
P1 C13 C18 C17 178.7(3)
C16 C17 C18 C13 0.7(6)
C13 P1 C19 C20 -21.0(3)
C28 P1 C19 C20 -134.1(3)
Ni P1 C19 C20 101.4(3)
C13 P1 C19 C24 161.9(2)
C28 P1 C19 C24 48.8(3)
Ni P1 C19 C24 -75.7(3)
C24 C19 C20 C21 0.2(6)
P1 C19 C20 C21 -176.9(4)
C19 C20 C21 C22 -2.0(7)
C20 C21 C22 C23 2.2(8)
C21 C22 C23 C24 -0.6(7)
C20 C19 C24 C23 1.4(5)
P1 C19 C24 C23 178.6(3)
C22 C23 C24 C19 -1.2(6)
C1 P2 C25 C26 64.2(3)
C7 P2 C25 C26 173.7(3)
Ni P2 C25 C26 -64.4(3)
P2 C25 C26 C27 55.8(4)
C25 C26 C27 C28 51.1(4)
C26 C27 C28 P1 -86.7(4)
C13 P1 C28 C27 118.0(3)
C19 P1 C28 C27 -132.2(3)
Ni P1 C28 C27 -7.6(3)
C30 N C29 S2 179.4(4)
C32 N C29 S2 1.8(5)
C30 N C29 S1 -1.5(6)
C32 N C29 S1 -179.1(3)
Ni S2 C29 N -173.7(3)
Ni S2 C29 S1 7.09(15)
Ni S1 C29 N 173.7(3)
Ni S1 C29 S2 -7.08(15)
C29 N C30 C31B 117.3(11)
C32 N C30 C31B -65.0(11)
C29 N C30 C31A -89.1(9)
C32 N C30 C31A 88.7(8)
C29 N C32 C33 -93.1(5)
C30 N C32 C33 89.3(6)
