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#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/38/7023821.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_7023821
loop_
_publ_author_name
'Kottalanka, Ravi K.'
'Naktode, Kishor'
'Anga, Srinivas'
'Nayek, Hari Pada'
'Panda, Tarun K.'
_publ_section_title
;
 Heavier alkaline earth metal complexes with phosphinoselenoic amides:
 evidence of direct M-Se contact (M = Ca, Sr, Ba).
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4947
_journal_page_last               4956
_journal_paper_doi               10.1039/c2dt32339g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C58 H58 N2 O2 P2 Se2 Sr, 2(C4 H8 O)'
_chemical_formula_sum            'C66 H74 N2 O4 P2 Se2 Sr'
_chemical_formula_weight         1266.75
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.369(5)
_cell_angle_beta                 101.195(5)
_cell_angle_gamma                103.621(5)
_cell_formula_units_Z            1
_cell_length_a                   10.191(5)
_cell_length_b                   10.912(5)
_cell_length_c                   14.641(5)
_cell_measurement_reflns_used    4909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.79
_cell_measurement_theta_min      1.45
_cell_volume                     1514.7(11)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)(compiled Oct 27 2011,15:02:11)'
_computing_data_collection
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)(compiled Oct 27 2011,15:02:11)'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)(compiled Oct 27 2011,15:02:11)'
_computing_molecular_graphics    'ORTEP III & Olex 2.1'
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10504
_diffrn_reflns_theta_full        25.79
_diffrn_reflns_theta_max         25.79
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    2.193
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'CrysAlisPro, Agilent Technologies,Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)(compiled Oct 27 2011,15:02:11)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.818
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0444
_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)+(0.0496P)²+2.5163P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1149
_refine_ls_wR_factor_ref         0.1201
_reflns_number_gt                5024
_reflns_number_total             5692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32339g.txt
_cod_data_source_block           shelxl2
_cod_database_code               7023821
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Sr1 Sr 0.5000 0.0000 0.0000 0.02723(13) Uani 1 2 d S
Se1 Se 0.34337(4) -0.10138(4) 0.14894(3) 0.03531(12) Uani 1 1 d .
P1 P 0.49265(9) 0.07210(8) 0.23526(6) 0.02406(19) Uani 1 1 d .
O1 O 0.6891(3) -0.1111(3) 0.0519(2) 0.0396(6) Uani 1 1 d .
C51 C 0.0761(8) -0.3296(7) 0.4657(5) 0.090(2) Uani 1 1 d .
H51A H 0.1152 -0.2630 0.5238 0.108 Uiso 1 1 calc R
H51B H -0.0096 -0.3856 0.4717 0.108 Uiso 1 1 calc R
N1 N 0.5656(3) 0.1544(3) 0.1678(2) 0.0269(6) Uani 1 1 d .
C1 C 0.6621(3) 0.2829(3) 0.2143(2) 0.0281(7) Uani 1 1 d .
H6 H 0.7061 0.2799 0.2793 0.034 Uiso 1 1 calc R
C23 C 0.8133(4) -0.0525(4) 0.4418(3) 0.0351(8) Uani 1 1 d .
H7 H 0.8777 -0.0790 0.4826 0.042 Uiso 1 1 calc R
C25 C 0.7506(4) 0.0308(3) 0.3024(3) 0.0322(8) Uani 1 1 d .
H8 H 0.7736 0.0600 0.2497 0.039 Uiso 1 1 calc R
C2 C 0.7763(4) 0.3103(3) 0.1600(3) 0.0323(8) Uani 1 1 d .
C7 C 0.7487(4) 0.3391(4) 0.0709(3) 0.0375(8) Uani 1 1 d .
H10 H 0.6601 0.3440 0.0440 0.045 Uiso 1 1 calc R
C20 C 0.6200(4) 0.0275(3) 0.3200(2) 0.0269(7) Uani 1 1 d .
C8 C 0.5917(4) 0.3920(3) 0.2205(3) 0.0324(8) Uani 1 1 d .
C22 C 0.6841(4) -0.0561(4) 0.4596(3) 0.0344(8) Uani 1 1 d .
H13 H 0.6618 -0.0850 0.5126 0.041 Uiso 1 1 calc R
C21 C 0.5879(4) -0.0170(3) 0.3991(3) 0.0306(7) Uani 1 1 d .
H14 H 0.5011 -0.0205 0.4112 0.037 Uiso 1 1 calc R
C15 C 0.4957(4) 0.2552(3) 0.3940(3) 0.0370(8) Uani 1 1 d .
H15 H 0.5911 0.2657 0.4097 0.044 Uiso 1 1 calc R
C24 C 0.8464(4) -0.0096(4) 0.3634(3) 0.0347(8) Uani 1 1 d .
H16 H 0.9330 -0.0076 0.3513 0.042 Uiso 1 1 calc R
C26 C 0.6733(4) -0.2187(4) 0.0994(3) 0.0432(9) Uani 1 1 d .
H17A H 0.6086 -0.2958 0.0568 0.052 Uiso 1 1 calc R
H17B H 0.6386 -0.1989 0.1557 0.052 Uiso 1 1 calc R
C19 C 0.2703(4) 0.1481(4) 0.2919(3) 0.0410(9) Uani 1 1 d .
H18 H 0.2126 0.0860 0.2393 0.049 Uiso 1 1 calc R
C6 C 0.8523(5) 0.3610(4) 0.0212(3) 0.0446(10) Uani 1 1 d .
H19 H 0.8329 0.3800 -0.0388 0.054 Uiso 1 1 calc R
C29 C 0.8275(4) -0.0798(5) 0.0365(4) 0.0517(11) Uani 1 1 d .
H20A H 0.8613 0.0120 0.0396 0.062 Uiso 1 1 calc R
H20B H 0.8285 -0.1271 -0.0254 0.062 Uiso 1 1 calc R
C14 C 0.4129(4) 0.1630(3) 0.3138(3) 0.0311(8) Uani 1 1 d .
C9 C 0.4638(4) 0.3809(4) 0.1620(3) 0.0422(9) Uani 1 1 d .
H22 H 0.4158 0.3035 0.1188 0.051 Uiso 1 1 calc R
C10 C 0.6598(5) 0.5079(4) 0.2853(3) 0.0471(10) Uani 1 1 d .
H23 H 0.7456 0.5167 0.3257 0.056 Uiso 1 1 calc R
C28 C 0.9149(5) -0.1189(5) 0.1147(3) 0.0546(12) Uani 1 1 d .
H24A H 0.9456 -0.0520 0.1728 0.066 Uiso 1 1 calc R
H24B H 0.9956 -0.1381 0.0964 0.066 Uiso 1 1 calc R
O3 O 0.1719(5) -0.4021(5) 0.4508(4) 0.0882(13) Uani 1 1 d .
C11 C 0.6016(6) 0.6112(4) 0.2908(4) 0.0586(13) Uani 1 1 d .
H26 H 0.6482 0.6881 0.3351 0.070 Uiso 1 1 calc R
C3 C 0.9091(4) 0.3060(5) 0.1994(3) 0.0500(11) Uani 1 1 d .
H27 H 0.9297 0.2891 0.2600 0.060 Uiso 1 1 calc R
C18 C 0.2139(5) 0.2269(5) 0.3491(4) 0.0528(12) Uani 1 1 d .
H28 H 0.1185 0.2172 0.3341 0.063 Uiso 1 1 calc R
C27 C 0.8161(6) -0.2387(6) 0.1269(4) 0.0678(16) Uani 1 1 d .
H29A H 0.8222 -0.3153 0.0857 0.081 Uiso 1 1 calc R
H29B H 0.8371 -0.2480 0.1925 0.081 Uiso 1 1 calc R
C17 C 0.2984(6) 0.3189(5) 0.4278(4) 0.0544(12) Uani 1 1 d .
H30 H 0.2604 0.3717 0.4650 0.065 Uiso 1 1 calc R
C16 C 0.4389(5) 0.3319(4) 0.4509(3) 0.0486(11) Uani 1 1 d .
H31 H 0.4959 0.3921 0.5048 0.058 Uiso 1 1 calc R
C4 C 1.0123(5) 0.3268(5) 0.1498(4) 0.0617(14) Uani 1 1 d .
H32 H 1.1010 0.3219 0.1765 0.074 Uiso 1 1 calc R
C5 C 0.9833(5) 0.3544(4) 0.0613(4) 0.0520(11) Uani 1 1 d .
H33 H 1.0527 0.3688 0.0282 0.062 Uiso 1 1 calc R
C12 C 0.4754(6) 0.5999(4) 0.2311(4) 0.0585(14) Uani 1 1 d .
H34 H 0.4371 0.6694 0.2338 0.070 Uiso 1 1 calc R
C13 C 0.4062(5) 0.4849(5) 0.1673(4) 0.0551(12) Uani 1 1 d .
H35 H 0.3202 0.4765 0.1272 0.066 Uiso 1 1 calc R
C30 C 0.0480(7) -0.2701(7) 0.3825(6) 0.093(2) Uani 1 1 d .
H39A H 0.0893 -0.1773 0.4007 0.111 Uiso 1 1 calc R
H39B H -0.0514 -0.2871 0.3574 0.111 Uiso 1 1 calc R
C31 C 0.1118(9) -0.3303(8) 0.3094(6) 0.106(3) Uani 1 1 d .
H43A H 0.1534 -0.2679 0.2757 0.127 Uiso 1 1 calc R
H43B H 0.0443 -0.4029 0.2637 0.127 Uiso 1 1 calc R
C32 C 0.2207(8) -0.3732(8) 0.3719(5) 0.092(2) Uani 1 1 d .
H11A H 0.2374 -0.4490 0.3366 0.110 Uiso 1 1 calc R
H11B H 0.3074 -0.3050 0.3926 0.110 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
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
O O 0.0106 0.0060 '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'
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'
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 Sr1 O1 180.00(10) . 2_655
O1 Sr1 N1 91.72(9) . .
O1 Sr1 N1 88.28(9) 2_655 .
O1 Sr1 N1 88.28(9) . 2_655
O1 Sr1 N1 91.72(9) 2_655 2_655
N1 Sr1 N1 180.0 . 2_655
O1 Sr1 Se1 89.69(7) . 2_655
O1 Sr1 Se1 90.31(7) 2_655 2_655
N1 Sr1 Se1 115.76(7) . 2_655
N1 Sr1 Se1 64.24(7) 2_655 2_655
O1 Sr1 Se1 90.31(7) . .
O1 Sr1 Se1 89.69(7) 2_655 .
N1 Sr1 Se1 64.23(7) . .
N1 Sr1 Se1 115.77(7) 2_655 .
Se1 Sr1 Se1 180.0 2_655 .
O1 Sr1 P1 87.08(7) . .
O1 Sr1 P1 92.92(7) 2_655 .
N1 Sr1 P1 26.86(6) . .
N1 Sr1 P1 153.14(6) 2_655 .
Se1 Sr1 P1 142.11(2) 2_655 .
Se1 Sr1 P1 37.89(2) . .
O1 Sr1 P1 92.91(7) . 2_655
O1 Sr1 P1 87.08(7) 2_655 2_655
N1 Sr1 P1 153.14(6) . 2_655
N1 Sr1 P1 26.86(6) 2_655 2_655
Se1 Sr1 P1 37.89(2) 2_655 2_655
Se1 Sr1 P1 142.11(2) . 2_655
P1 Sr1 P1 180.0 . 2_655
P1 Se1 Sr1 78.39(4) . .
N1 P1 C20 111.50(16) . .
N1 P1 C14 113.66(15) . .
C20 P1 C14 102.31(16) . .
N1 P1 Se1 109.56(11) . .
C20 P1 Se1 108.60(11) . .
C14 P1 Se1 110.95(13) . .
N1 P1 Sr1 47.02(10) . .
C20 P1 Sr1 116.70(11) . .
C14 P1 Sr1 140.46(12) . .
Se1 P1 Sr1 63.72(3) . .
C29 O1 C26 108.4(3) . .
C29 O1 Sr1 125.9(2) . .
C26 O1 Sr1 125.7(2) . .
O3 C51 C30 107.9(6) . .
O3 C51 H51A 110.1 . .
C30 C51 H51A 110.1 . .
O3 C51 H51B 110.1 . .
C30 C51 H51B 110.1 . .
H51A C51 H51B 108.4 . .
C1 N1 P1 117.1(2) . .
C1 N1 Sr1 136.2(2) . .
P1 N1 Sr1 106.13(14) . .
N1 C1 C8 113.9(3) . .
N1 C1 C2 108.4(3) . .
C8 C1 C2 110.3(3) . .
N1 C1 H6 108.0 . .
C8 C1 H6 108.0 . .
C2 C1 H6 108.0 . .
C24 C23 C22 119.9(3) . .
C24 C23 H7 120.0 . .
C22 C23 H7 120.0 . .
C24 C25 C20 120.1(3) . .
C24 C25 H8 119.9 . .
C20 C25 H8 119.9 . .
C3 C2 C7 118.8(4) . .
C3 C2 C1 120.2(4) . .
C7 C2 C1 121.0(3) . .
C2 C7 C6 120.6(4) . .
C2 C7 H10 119.7 . .
C6 C7 H10 119.7 . .
C21 C20 C25 118.8(3) . .
C21 C20 P1 121.8(3) . .
C25 C20 P1 119.3(3) . .
C9 C8 C10 118.5(4) . .
C9 C8 C1 122.4(3) . .
C10 C8 C1 119.1(4) . .
C21 C22 C23 120.2(3) . .
C21 C22 H13 119.9 . .
C23 C22 H13 119.9 . .
C22 C21 C20 120.6(3) . .
C22 C21 H14 119.7 . .
C20 C21 H14 119.7 . .
C16 C15 C14 121.4(4) . .
C16 C15 H15 119.3 . .
C14 C15 H15 119.3 . .
C23 C24 C25 120.3(3) . .
C23 C24 H16 119.9 . .
C25 C24 H16 119.9 . .
O1 C26 C27 106.3(4) . .
O1 C26 H17A 110.5 . .
C27 C26 H17A 110.5 . .
O1 C26 H17B 110.5 . .
C27 C26 H17B 110.5 . .
H17A C26 H17B 108.7 . .
C14 C19 C18 119.8(4) . .
C14 C19 H18 120.1 . .
C18 C19 H18 120.1 . .
C5 C6 C7 119.7(4) . .
C5 C6 H19 120.2 . .
C7 C6 H19 120.2 . .
O1 C29 C28 105.4(4) . .
O1 C29 H20A 110.7 . .
C28 C29 H20A 110.7 . .
O1 C29 H20B 110.7 . .
C28 C29 H20B 110.7 . .
H20A C29 H20B 108.8 . .
C19 C14 C15 118.5(4) . .
C19 C14 P1 121.2(3) . .
C15 C14 P1 120.2(3) . .
C8 C9 C13 120.4(4) . .
C8 C9 H22 119.8 . .
C13 C9 H22 119.8 . .
C8 C10 C11 121.0(5) . .
C8 C10 H23 119.5 . .
C11 C10 H23 119.5 . .
C29 C28 C27 102.5(4) . .
C29 C28 H24A 111.3 . .
C27 C28 H24A 111.3 . .
C29 C28 H24B 111.3 . .
C27 C28 H24B 111.3 . .
H24A C28 H24B 109.2 . .
C32 O3 C51 107.9(5) . .
C12 C11 C10 120.1(4) . .
C12 C11 H26 119.9 . .
C10 C11 H26 119.9 . .
C2 C3 C4 120.8(4) . .
C2 C3 H27 119.6 . .
C4 C3 H27 119.6 . .
C17 C18 C19 120.6(4) . .
C17 C18 H28 119.7 . .
C19 C18 H28 119.7 . .
C26 C27 C28 105.0(4) . .
C26 C27 H29A 110.7 . .
C28 C27 H29A 110.7 . .
C26 C27 H29B 110.7 . .
C28 C27 H29B 110.7 . .
H29A C27 H29B 108.8 . .
C16 C17 C18 119.7(4) . .
C16 C17 H30 120.1 . .
C18 C17 H30 120.1 . .
C17 C16 C15 120.0(4) . .
C17 C16 H31 120.0 . .
C15 C16 H31 120.0 . .
C5 C4 C3 119.9(4) . .
C5 C4 H32 120.1 . .
C3 C4 H32 120.1 . .
C4 C5 C6 120.3(4) . .
C4 C5 H33 119.8 . .
C6 C5 H33 119.8 . .
C11 C12 C13 119.5(4) . .
C11 C12 H34 120.3 . .
C13 C12 H34 120.3 . .
C12 C13 C9 120.6(5) . .
C12 C13 H35 119.7 . .
C9 C13 H35 119.7 . .
C51 C30 C31 106.3(6) . .
C51 C30 H39A 110.5 . .
C31 C30 H39A 110.5 . .
C51 C30 H39B 110.5 . .
C31 C30 H39B 110.5 . .
H39A C30 H39B 108.7 . .
C30 C31 C32 100.8(6) . .
C30 C31 H43A 111.6 . .
C32 C31 H43A 111.6 . .
C30 C31 H43B 111.6 . .
C32 C31 H43B 111.6 . .
H43A C31 H43B 109.4 . .
O3 C32 C31 108.2(6) . .
O3 C32 H11A 110.1 . .
C31 C32 H11A 110.1 . .
O3 C32 H11B 110.1 . .
C31 C32 H11B 110.1 . .
H11A C32 H11B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 O1 2.567(3) .
Sr1 O1 2.567(3) 2_655
Sr1 N1 2.609(3) .
Sr1 N1 2.609(3) 2_655
Sr1 Se1 3.1355(9) 2_655
Sr1 Se1 3.1356(9) .
Sr1 P1 3.4255(14) .
Sr1 P1 3.4256(14) 2_655
Se1 P1 2.1478(11) .
P1 N1 1.611(3) .
P1 C20 1.824(3) .
P1 C14 1.827(4) .
O1 C29 1.442(5) .
O1 C26 1.452(5) .
C51 O3 1.420(7) .
C51 C30 1.482(10) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
N1 C1 1.475(4) .
C1 C8 1.528(5) .
C1 C2 1.532(5) .
C1 H6 0.9800 .
C23 C24 1.378(5) .
C23 C22 1.385(5) .
C23 H7 0.9300 .
C25 C24 1.392(5) .
C25 C20 1.398(5) .
C25 H8 0.9300 .
C2 C3 1.379(6) .
C2 C7 1.382(5) .
C7 C6 1.391(6) .
C7 H10 0.9300 .
C20 C21 1.392(5) .
C8 C9 1.380(6) .
C8 C10 1.386(5) .
C22 C21 1.382(5) .
C22 H13 0.9300 .
C21 H14 0.9300 .
C15 C16 1.384(5) .
C15 C14 1.391(6) .
C15 H15 0.9300 .
C24 H16 0.9300 .
C26 C27 1.509(6) .
C26 H17A 0.9700 .
C26 H17B 0.9700 .
C19 C14 1.390(5) .
C19 C18 1.399(6) .
C19 H18 0.9300 .
C6 C5 1.374(6) .
C6 H19 0.9300 .
C29 C28 1.493(6) .
C29 H20A 0.9700 .
C29 H20B 0.9700 .
C9 C13 1.394(6) .
C9 H22 0.9300 .
C10 C11 1.391(6) .
C10 H23 0.9300 .
C28 C27 1.510(7) .
C28 H24A 0.9700 .
C28 H24B 0.9700 .
O3 C32 1.395(8) .
C11 C12 1.374(8) .
C11 H26 0.9300 .
C3 C4 1.387(6) .
C3 H27 0.9300 .
C18 C17 1.382(7) .
C18 H28 0.9300 .
C27 H29A 0.9700 .
C27 H29B 0.9700 .
C17 C16 1.373(7) .
C17 H30 0.9300 .
C16 H31 0.9300 .
C4 C5 1.370(7) .
C4 H32 0.9300 .
C5 H33 0.9300 .
C12 C13 1.375(7) .
C12 H34 0.9300 .
C13 H35 0.9300 .
C30 C31 1.498(10) .
C30 H39A 0.9700 .
C30 H39B 0.9700 .
C31 C32 1.509(9) .
C31 H43A 0.9700 .
C31 H43B 0.9700 .
C32 H11A 0.9700 .
C32 H11B 0.9700 .
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
O1 Sr1 Se1 P1 84.85(8) .
O1 Sr1 Se1 P1 -95.15(8) 2_655
N1 Sr1 Se1 P1 -6.92(7) .
N1 Sr1 Se1 P1 173.08(7) 2_655
Se1 Sr1 Se1 P1 -15(12) 2_655
P1 Sr1 Se1 P1 180.0 2_655
Sr1 Se1 P1 N1 10.74(11) .
Sr1 Se1 P1 C20 -111.26(12) .
Sr1 Se1 P1 C14 137.04(12) .
O1 Sr1 P1 N1 99.63(16) .
O1 Sr1 P1 N1 -80.37(16) 2_655
N1 Sr1 P1 N1 180.0 2_655
Se1 Sr1 P1 N1 13.89(14) 2_655
Se1 Sr1 P1 N1 -166.11(14) .
P1 Sr1 P1 N1 101(2) 2_655
O1 Sr1 P1 C20 4.36(14) .
O1 Sr1 P1 C20 -175.64(14) 2_655
N1 Sr1 P1 C20 -95.27(19) .
N1 Sr1 P1 C20 84.73(19) 2_655
Se1 Sr1 P1 C20 -81.38(13) 2_655
Se1 Sr1 P1 C20 98.62(13) .
P1 Sr1 P1 C20 6(2) 2_655
O1 Sr1 P1 C14 174.1(2) .
O1 Sr1 P1 C14 -5.9(2) 2_655
N1 Sr1 P1 C14 74.5(2) .
N1 Sr1 P1 C14 -105.5(2) 2_655
Se1 Sr1 P1 C14 88.39(19) 2_655
Se1 Sr1 P1 C14 -91.61(19) .
P1 Sr1 P1 C14 175(2) 2_655
O1 Sr1 P1 Se1 -94.26(8) .
O1 Sr1 P1 Se1 85.74(8) 2_655
N1 Sr1 P1 Se1 166.11(14) .
N1 Sr1 P1 Se1 -13.89(14) 2_655
Se1 Sr1 P1 Se1 180.0 2_655
P1 Sr1 P1 Se1 -93(2) 2_655
O1 Sr1 O1 C29 51(21) 2_655
N1 Sr1 O1 C29 -95.7(3) .
N1 Sr1 O1 C29 84.3(3) 2_655
Se1 Sr1 O1 C29 20.1(3) 2_655
Se1 Sr1 O1 C29 -159.9(3) .
P1 Sr1 O1 C29 -122.2(3) .
P1 Sr1 O1 C29 57.8(3) 2_655
O1 Sr1 O1 C26 -127(21) 2_655
N1 Sr1 O1 C26 86.2(3) .
N1 Sr1 O1 C26 -93.8(3) 2_655
Se1 Sr1 O1 C26 -158.0(3) 2_655
Se1 Sr1 O1 C26 22.0(3) .
P1 Sr1 O1 C26 59.8(3) .
P1 Sr1 O1 C26 -120.2(3) 2_655
C20 P1 N1 C1 -65.2(3) .
C14 P1 N1 C1 49.8(3) .
Se1 P1 N1 C1 174.5(2) .
Sr1 P1 N1 C1 -172.3(3) .
C20 P1 N1 Sr1 107.05(15) .
C14 P1 N1 Sr1 -137.95(15) .
Se1 P1 N1 Sr1 -13.20(13) .
O1 Sr1 N1 C1 90.0(3) .
O1 Sr1 N1 C1 -90.0(3) 2_655
N1 Sr1 N1 C1 -151.0(2) 2_655
Se1 Sr1 N1 C1 -0.5(3) 2_655
Se1 Sr1 N1 C1 179.5(3) .
P1 Sr1 N1 C1 170.1(4) .
P1 Sr1 N1 C1 -9.9(4) 2_655
O1 Sr1 N1 P1 -80.09(14) .
O1 Sr1 N1 P1 99.91(14) 2_655
N1 Sr1 N1 P1 38.9(2) 2_655
Se1 Sr1 N1 P1 -170.58(10) 2_655
Se1 Sr1 N1 P1 9.42(10) .
P1 Sr1 N1 P1 180.0 2_655
P1 N1 C1 C8 -88.9(3) .
Sr1 N1 C1 C8 101.8(3) .
P1 N1 C1 C2 147.9(2) .
Sr1 N1 C1 C2 -21.3(4) .
N1 C1 C2 C3 -106.9(4) .
C8 C1 C2 C3 127.9(4) .
N1 C1 C2 C7 72.9(4) .
C8 C1 C2 C7 -52.3(4) .
C3 C2 C7 C6 1.2(6) .
C1 C2 C7 C6 -178.6(3) .
C24 C25 C20 C21 -0.2(5) .
C24 C25 C20 P1 -176.5(3) .
N1 P1 C20 C21 164.9(3) .
C14 P1 C20 C21 43.1(3) .
Se1 P1 C20 C21 -74.2(3) .
Sr1 P1 C20 C21 -143.5(3) .
N1 P1 C20 C25 -18.9(3) .
C14 P1 C20 C25 -140.7(3) .
Se1 P1 C20 C25 101.9(3) .
Sr1 P1 C20 C25 32.7(3) .
N1 C1 C8 C9 -20.6(5) .
C2 C1 C8 C9 101.6(4) .
N1 C1 C8 C10 161.3(3) .
C2 C1 C8 C10 -76.6(4) .
C24 C23 C22 C21 0.1(6) .
C23 C22 C21 C20 -0.6(6) .
C25 C20 C21 C22 0.6(5) .
P1 C20 C21 C22 176.8(3) .
C22 C23 C24 C25 0.3(6) .
C20 C25 C24 C23 -0.3(6) .
C29 O1 C26 C27 8.9(5) .
Sr1 O1 C26 C27 -172.7(3) .
C2 C7 C6 C5 -0.3(6) .
C26 O1 C29 C28 -28.3(5) .
Sr1 O1 C29 C28 153.4(3) .
C18 C19 C14 C15 1.2(6) .
C18 C19 C14 P1 -174.7(3) .
C16 C15 C14 C19 -0.5(6) .
C16 C15 C14 P1 175.4(3) .
N1 P1 C14 C19 100.5(3) .
C20 P1 C14 C19 -139.2(3) .
Se1 P1 C14 C19 -23.5(3) .
Sr1 P1 C14 C19 50.2(4) .
N1 P1 C14 C15 -75.3(3) .
C20 P1 C14 C15 45.1(3) .
Se1 P1 C14 C15 160.7(3) .
Sr1 P1 C14 C15 -125.6(3) .
C10 C8 C9 C13 1.1(6) .
C1 C8 C9 C13 -177.1(4) .
C9 C8 C10 C11 -0.6(6) .
C1 C8 C10 C11 177.6(4) .
O1 C29 C28 C27 35.6(5) .
C30 C51 O3 C32 9.5(8) .
C8 C10 C11 C12 -0.5(7) .
C7 C2 C3 C4 -1.8(7) .
C1 C2 C3 C4 178.0(4) .
C14 C19 C18 C17 -0.5(6) .
O1 C26 C27 C28 13.5(5) .
C29 C28 C27 C26 -29.7(5) .
C19 C18 C17 C16 -1.0(7) .
C18 C17 C16 C15 1.7(7) .
C14 C15 C16 C17 -0.9(6) .
C2 C3 C4 C5 1.3(8) .
C3 C4 C5 C6 -0.4(8) .
C7 C6 C5 C4 -0.2(7) .
C10 C11 C12 C13 1.2(7) .
C11 C12 C13 C9 -0.8(7) .
C8 C9 C13 C12 -0.4(7) .
O3 C51 C30 C31 10.0(8) .
C51 C30 C31 C32 -23.6(8) .
C51 O3 C32 C31 -25.6(9) .
C30 C31 C32 O3 30.3(9) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139160791
