#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/97/1519769.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_1519769
loop_
_publ_author_name
'Devillanova, Francesco'
'Aragoni, Carla'
'Arca, Massimiliano'
'Hursthouse, Michael B.'
'Huth, Susanne L.'
_publ_section_title
;
 C29H34Cd1N2O4P2S4
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              248
_journal_year                    2006
_chemical_formula_sum            'C29 H34 Cd N2 O4 P2 S4'
_chemical_formula_weight         777.16
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.799(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7073(4)
_cell_length_b                   16.3214(4)
_cell_length_c                   19.5513(6)
_cell_measurement_reflns_used    6749
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     3415.06(19)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
'Bruker-Nonius 95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22124
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    1.013
_exptl_absorpt_correction_T_max  0.9324
_exptl_absorpt_correction_T_min  0.8230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10 (Sheldrick, G.M., 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       0.00096(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     384
_refine_ls_number_reflns         7757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0294P)²+1.9689P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0727
_reflns_number_gt                6284
_reflns_number_total             7757
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            eCrystal-248.cif
_cod_data_source_block           2005slh0413
_cod_depositor_comments
;
Citation :
Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and 
Hursthouse, Michael B. and Huth, Susanne L. (2006) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/248)

More at:
http://ecrystals.chem.soton.ac.uk/248/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1519769
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0059(3) 0.6208(2) -0.03344(16) 0.0445(8) Uani 1 1 d . . .
H1A H -0.0040 0.5658 -0.0141 0.067 Uiso 1 1 calc R . .
H1B H -0.0037 0.6180 -0.0834 0.067 Uiso 1 1 calc R . .
H1C H -0.0578 0.6573 -0.0154 0.067 Uiso 1 1 calc R . .
C2 C 0.3135(2) 0.71721(14) 0.05385(12) 0.0219(5) Uani 1 1 d . . .
C3 C 0.3965(2) 0.72399(16) 0.10940(14) 0.0306(6) Uani 1 1 d . . .
H3 H 0.3756 0.7004 0.1520 0.037 Uiso 1 1 calc R . .
C4 C 0.5100(2) 0.76479(16) 0.10391(15) 0.0344(6) Uani 1 1 d . . .
H4 H 0.5663 0.7690 0.1423 0.041 Uiso 1 1 calc R . .
C5 C 0.5396(2) 0.79920(15) 0.04160(15) 0.0318(6) Uani 1 1 d . . .
C6 C 0.4570(2) 0.79401(15) -0.01401(14) 0.0296(6) Uani 1 1 d . . .
H6 H 0.4774 0.8187 -0.0562 0.035 Uiso 1 1 calc R . .
C7 C 0.3450(2) 0.75297(14) -0.00831(13) 0.0244(5) Uani 1 1 d . . .
H7 H 0.2891 0.7490 -0.0468 0.029 Uiso 1 1 calc R . .
C8 C 0.7402(3) 0.8449(2) 0.0848(2) 0.0633(11) Uani 1 1 d . . .
H8A H 0.7035 0.8713 0.1244 0.095 Uiso 1 1 calc R . .
H8B H 0.8122 0.8768 0.0702 0.095 Uiso 1 1 calc R . .
H8C H 0.7674 0.7894 0.0973 0.095 Uiso 1 1 calc R . .
C9 C 0.0605(2) 0.63018(18) 0.44292(14) 0.0358(7) Uani 1 1 d . . .
H9A H 0.0400 0.6816 0.4192 0.054 Uiso 1 1 calc R . .
H9B H 0.0642 0.6397 0.4924 0.054 Uiso 1 1 calc R . .
H9C H -0.0040 0.5893 0.4318 0.054 Uiso 1 1 calc R . .
C10 C 0.3593(2) 0.55333(14) 0.34313(12) 0.0208(5) Uani 1 1 d . . .
C11 C 0.4293(2) 0.55764(16) 0.28445(12) 0.0289(6) Uani 1 1 d . . .
H11 H 0.3926 0.5800 0.2437 0.035 Uiso 1 1 calc R . .
C12 C 0.5506(2) 0.53012(17) 0.28444(13) 0.0311(6) Uani 1 1 d . . .
H12 H 0.5975 0.5343 0.2441 0.037 Uiso 1 1 calc R . .
C13 C 0.6046(2) 0.49617(14) 0.34361(12) 0.0219(5) Uani 1 1 d . . .
C14 C 0.5357(2) 0.48975(14) 0.40206(12) 0.0240(5) Uani 1 1 d . . .
H14 H 0.5717 0.4660 0.4424 0.029 Uiso 1 1 calc R . .
C15 C 0.4134(2) 0.51834(15) 0.40136(12) 0.0241(5) Uani 1 1 d . . .
H15 H 0.3661 0.5138 0.4415 0.029 Uiso 1 1 calc R . .
C16 C 0.7863(2) 0.43947(18) 0.39899(15) 0.0368(7) Uani 1 1 d . . .
H16A H 0.7838 0.4800 0.4359 0.055 Uiso 1 1 calc R . .
H16B H 0.8735 0.4265 0.3895 0.055 Uiso 1 1 calc R . .
H16C H 0.7431 0.3895 0.4129 0.055 Uiso 1 1 calc R . .
C17 C -0.1880(2) 0.66809(14) 0.30997(13) 0.0250(5) Uani 1 1 d . . .
H17 H -0.1883 0.6100 0.3122 0.030 Uiso 1 1 calc R . .
C18 C -0.2568(2) 0.71131(14) 0.35662(13) 0.0245(5) Uani 1 1 d . . .
H18 H -0.3025 0.6829 0.3901 0.029 Uiso 1 1 calc R . .
C19 C -0.2587(2) 0.79605(13) 0.35443(12) 0.0185(5) Uani 1 1 d . . .
C20 C -0.1912(2) 0.83344(14) 0.30372(12) 0.0236(5) Uani 1 1 d . . .
H20 H -0.1914 0.8914 0.2994 0.028 Uiso 1 1 calc R . .
C21 C -0.1236(2) 0.78610(14) 0.25940(12) 0.0235(5) Uani 1 1 d . . .
H21 H -0.0766 0.8129 0.2256 0.028 Uiso 1 1 calc R . .
C22 C -0.3316(2) 0.84628(14) 0.40403(12) 0.0201(5) Uani 1 1 d . . .
H22A H -0.2798 0.8931 0.4202 0.024 Uiso 1 1 calc R . .
H22B H -0.3507 0.8122 0.4442 0.024 Uiso 1 1 calc R . .
C23 C -0.4540(2) 0.87875(14) 0.37146(12) 0.0218(5) Uani 1 1 d . . .
H23A H -0.4357 0.9112 0.3302 0.026 Uiso 1 1 calc R . .
H23B H -0.5079 0.8321 0.3572 0.026 Uiso 1 1 calc R . .
C24 C -0.5230(2) 0.93239(14) 0.42212(12) 0.0208(5) Uani 1 1 d . . .
H24A H -0.5458 0.8983 0.4617 0.025 Uiso 1 1 calc R . .
H24B H -0.4655 0.9757 0.4393 0.025 Uiso 1 1 calc R . .
C25 C -0.6396(2) 0.97235(13) 0.39269(11) 0.0180(5) Uani 1 1 d . . .
C26 C -0.7299(2) 0.92969(14) 0.35448(12) 0.0230(5) Uani 1 1 d . . .
H26 H -0.7203 0.8726 0.3466 0.028 Uiso 1 1 calc R . .
C27 C -0.8337(2) 0.97043(14) 0.32804(13) 0.0231(5) Uani 1 1 d . . .
H27 H -0.8932 0.9402 0.3013 0.028 Uiso 1 1 calc R . .
C29 C -0.7683(2) 1.09083(15) 0.37544(13) 0.0282(6) Uani 1 1 d . . .
H29 H -0.7814 1.1475 0.3838 0.034 Uiso 1 1 calc R . .
C30 C -0.6613(2) 1.05503(15) 0.40243(13) 0.0258(5) Uani 1 1 d . . .
H30 H -0.6021 1.0872 0.4278 0.031 Uiso 1 1 calc R . .
N1 N -0.12150(17) 0.70412(11) 0.26201(10) 0.0202(4) Uani 1 1 d . . .
N2 N -0.85483(17) 1.05031(11) 0.33813(10) 0.0208(4) Uani 1 1 d . . .
O1 O 0.12829(15) 0.65182(11) -0.01491(8) 0.0290(4) Uani 1 1 d . . .
O2 O 0.64889(16) 0.84061(12) 0.02978(12) 0.0440(5) Uani 1 1 d . . .
O3 O 0.18069(15) 0.60063(11) 0.42114(8) 0.0282(4) Uani 1 1 d . . .
O4 O 0.72594(15) 0.47199(11) 0.33878(9) 0.0294(4) Uani 1 1 d . . .
P1 P 0.16674(6) 0.66545(4) 0.06394(3) 0.02026(13) Uani 1 1 d . . .
P2 P 0.20249(6) 0.59246(4) 0.34073(3) 0.02090(14) Uani 1 1 d . . .
S1 S 0.04157(5) 0.73843(4) 0.10764(3) 0.02254(13) Uani 1 1 d . . .
S2 S 0.19032(6) 0.56037(4) 0.11433(3) 0.02585(14) Uani 1 1 d . . .
S3 S 0.07942(5) 0.51170(3) 0.30053(3) 0.02143(13) Uani 1 1 d . . .
S4 S 0.19753(6) 0.70022(4) 0.29331(3) 0.02795(15) Uani 1 1 d . . .
Cd1 Cd 0.029336(15) 0.624602(10) 0.205228(8) 0.01801(7) Uani 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C3 C2 C7 118.8(2) . .
C3 C2 P1 119.47(19) . .
C7 C2 P1 121.75(18) . .
C2 C3 C4 121.1(3) . .
C2 C3 H3 119.4 . .
C4 C3 H3 119.4 . .
C5 C4 C3 119.0(3) . .
C5 C4 H4 120.5 . .
C3 C4 H4 120.5 . .
O2 C5 C6 115.1(3) . .
O2 C5 C4 124.4(3) . .
C6 C5 C4 120.5(2) . .
C7 C6 C5 120.1(2) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C6 C7 C2 120.4(2) . .
C6 C7 H7 119.8 . .
C2 C7 H7 119.8 . .
O2 C8 H8A 109.5 . .
O2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C9 H9A 109.5 . .
O3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C15 C10 C11 118.4(2) . .
C15 C10 P2 122.35(18) . .
C11 C10 P2 119.20(18) . .
C12 C11 C10 121.1(2) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C11 C12 C13 119.8(2) . .
C11 C12 H12 120.1 . .
C13 C12 H12 120.1 . .
O4 C13 C14 124.7(2) . .
O4 C13 C12 115.4(2) . .
C14 C13 C12 119.9(2) . .
C13 C14 C15 119.5(2) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C10 C15 C14 121.1(2) . .
C10 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
O4 C16 H16A 109.5 . .
O4 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
O4 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N1 C17 C18 123.1(2) . .
N1 C17 H17 118.4 . .
C18 C17 H17 118.4 . .
C17 C18 C19 119.8(2) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
C18 C19 C20 117.0(2) . .
C18 C19 C22 122.1(2) . .
C20 C19 C22 120.9(2) . .
C21 C20 C19 119.8(2) . .
C21 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
N1 C21 C20 122.9(2) . .
N1 C21 H21 118.6 . .
C20 C21 H21 118.6 . .
C19 C22 C23 111.98(18) . .
C19 C22 H22A 109.2 . .
C23 C22 H22A 109.2 . .
C19 C22 H22B 109.2 . .
C23 C22 H22B 109.2 . .
H22A C22 H22B 107.9 . .
C24 C23 C22 110.66(19) . .
C24 C23 H23A 109.5 . .
C22 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 108.1 . .
C25 C24 C23 114.32(19) . .
C25 C24 H24A 108.7 . .
C23 C24 H24A 108.7 . .
C25 C24 H24B 108.7 . .
C23 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
C30 C25 C26 116.5(2) . .
C30 C25 C24 120.7(2) . .
C26 C25 C24 122.8(2) . .
C27 C26 C25 119.8(2) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
N2 C27 C26 123.5(2) . .
N2 C27 H27 118.3 . .
C26 C27 H27 118.3 . .
N2 C29 C30 123.6(2) . .
N2 C29 H29 118.2 . .
C30 C29 H29 118.2 . .
C29 C30 C25 120.1(2) . .
C29 C30 H30 119.9 . .
C25 C30 H30 119.9 . .
C17 N1 C21 117.3(2) . .
C17 N1 Cd1 118.33(14) . .
C21 N1 Cd1 122.63(15) . .
C29 N2 C27 116.4(2) . .
C29 N2 Cd1 117.95(15) . 2_455
C27 N2 Cd1 125.63(15) . 2_455
C1 O1 P1 119.74(17) . .
C5 O2 C8 117.5(3) . .
C9 O3 P2 118.27(16) . .
C13 O4 C16 117.27(19) . .
O1 P1 C2 99.14(10) . .
O1 P1 S2 112.47(7) . .
C2 P1 S2 111.16(8) . .
O1 P1 S1 109.78(7) . .
C2 P1 S1 111.44(8) . .
S2 P1 S1 112.16(4) . .
O3 P2 C10 99.71(10) . .
O3 P2 S4 112.42(7) . .
C10 P2 S4 109.76(8) . .
O3 P2 S3 108.96(7) . .
C10 P2 S3 112.25(8) . .
S4 P2 S3 113.01(4) . .
P1 S1 Cd1 86.54(3) . .
P1 S2 Cd1 85.31(3) . .
P2 S3 Cd1 86.26(3) . .
P2 S4 Cd1 84.39(3) . .
N2 Cd1 N1 84.63(6) 2_445 .
N2 Cd1 S3 92.04(5) 2_445 .
N1 Cd1 S3 100.14(5) . .
N2 Cd1 S1 99.02(5) 2_445 .
N1 Cd1 S1 90.18(5) . .
S3 Cd1 S1 165.557(19) . .
N2 Cd1 S2 94.47(5) 2_445 .
N1 Cd1 S2 165.70(5) . .
S3 Cd1 S2 94.157(19) . .
S1 Cd1 S2 75.837(18) . .
N2 Cd1 S4 162.12(5) 2_445 .
N1 Cd1 S4 84.46(5) . .
S3 Cd1 S4 76.024(19) . .
S1 Cd1 S4 95.13(2) . .
S2 Cd1 S4 99.57(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.440(3) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.386(3) .
C2 C7 1.399(3) .
C2 P1 1.800(2) .
C3 C4 1.393(4) .
C3 H3 0.9500 .
C4 C5 1.387(4) .
C4 H4 0.9500 .
C5 O2 1.378(3) .
C5 C6 1.382(4) .
C6 C7 1.381(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 O2 1.432(4) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 O3 1.451(3) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C15 1.384(3) .
C10 C11 1.392(3) .
C10 P2 1.796(2) .
C11 C12 1.374(3) .
C11 H11 0.9500 .
C12 C13 1.392(3) .
C12 H12 0.9500 .
C13 O4 1.364(3) .
C13 C14 1.383(3) .
C14 C15 1.390(3) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 O4 1.427(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 N1 1.332(3) .
C17 C18 1.383(3) .
C17 H17 0.9500 .
C18 C19 1.384(3) .
C18 H18 0.9500 .
C19 C20 1.387(3) .
C19 C22 1.507(3) .
C20 C21 1.382(3) .
C20 H20 0.9500 .
C21 N1 1.339(3) .
C21 H21 0.9500 .
C22 C23 1.534(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.529(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.507(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C30 1.383(3) .
C25 C26 1.390(3) .
C26 C27 1.381(3) .
C26 H26 0.9500 .
C27 N2 1.339(3) .
C27 H27 0.9500 .
C29 N2 1.336(3) .
C29 C30 1.377(3) .
C29 H29 0.9500 .
C30 H30 0.9500 .
N1 Cd1 2.3744(18) .
N2 Cd1 2.3623(19) 2_455
O1 P1 1.5987(17) .
O3 P2 1.6023(18) .
P1 S2 1.9902(8) .
P1 S1 2.0042(8) .
P2 S4 1.9880(9) .
P2 S3 2.0067(8) .
S1 Cd1 2.6692(6) .
S2 Cd1 2.7241(6) .
S3 Cd1 2.6632(6) .
S4 Cd1 2.7454(6) .
Cd1 N2 2.3623(19) 2_445
