#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/32/7023206.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_7023206
loop_
_publ_author_name
'Kalmutzki, Markus'
'Ströbele, Markus'
'Meyer, H-Jürgen'
_publ_section_title
;
 From cyanate to cyanurate: cyclotrimerization reactions towards the novel
 family of metal cyanurates.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12934
_journal_page_last               12939
_journal_paper_doi               10.1039/c3dt51002f
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C3 N3 O3, Sr, Li'
_chemical_formula_sum            'C3 Li N3 O3 Sr'
_chemical_formula_weight         220.62
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.09(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.662(2)
_cell_length_b                   6.8070(10)
_cell_length_c                   12.447(3)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      51.9
_cell_measurement_theta_min      6.7
_cell_volume                     962.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0421
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4548
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.49
_exptl_absorpt_coefficient_mu    11.133
_exptl_absorpt_correction_T_max  0.5351
_exptl_absorpt_correction_T_min  0.2860
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-Red/X-Shape'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.045
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         833
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0200
_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)+(0.0269P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0429
_reflns_number_gt                714
_reflns_number_total             833
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51002f_2.cif
_cod_data_source_block           e:\kali\mk123_4m\abs\mk123_4m
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7023206
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Sr1 Sr 0.66982(3) 0.10179(4) 0.34404(2) 0.01385(12) Uani 1 1 d
O1 O 0.4589(2) -0.0290(4) 0.3609(2) 0.0209(6) Uani 1 1 d
O2 O 0.66417(19) 0.3426(3) 0.17902(17) 0.0144(5) Uani 1 1 d
O3 O 0.77771(19) 0.0267(4) 0.55265(18) 0.0175(5) Uani 1 1 d
N1 N 0.3917(2) -0.3414(4) 0.3409(2) 0.0149(6) Uani 1 1 d
N2 N 0.4672(2) 0.4002(4) 0.1193(2) 0.0145(6) Uani 1 1 d
N3 N 0.5936(2) -0.2675(4) 0.4150(2) 0.0150(6) Uani 1 1 d
C1 C 0.4805(3) -0.2153(5) 0.3725(2) 0.0133(7) Uani 1 1 d
C2 C 0.5787(3) 0.4661(5) 0.1523(2) 0.0122(7) Uani 1 1 d
C3 C 0.8839(3) -0.0359(5) 0.5855(2) 0.0128(7) Uani 1 1 d
Li1 Li 0.3533(5) 0.1312(9) 0.4262(4) 0.0206(12) 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
Sr Sr -1.5307 3.2498 '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'
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'
Li Li -0.0003 0.0001 '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
O2 Sr1 N1 75.26(8) . 3
O2 Sr1 O3 143.80(7) . .
N1 Sr1 O3 78.09(7) 3 .
O2 Sr1 O1 114.26(7) . .
N1 Sr1 O1 168.39(8) 3 .
O3 Sr1 O1 95.71(7) . .
O2 Sr1 O2 102.62(4) . 4_645
N1 Sr1 O2 50.03(8) 3 4_645
O3 Sr1 O2 77.60(7) . 4_645
O1 Sr1 O2 119.32(7) . 4_645
O2 Sr1 N2 75.50(7) . 2_655
N1 Sr1 N2 121.14(8) 3 2_655
O3 Sr1 N2 98.46(7) . 2_655
O1 Sr1 N2 69.18(8) . 2_655
O2 Sr1 N2 170.72(8) 4_645 2_655
O2 Sr1 O1 64.56(7) . 2_655
N1 Sr1 O1 111.13(8) 3 2_655
O3 Sr1 O1 149.88(7) . 2_655
O1 Sr1 O1 69.61(8) . 2_655
O2 Sr1 O1 86.81(7) 4_645 2_655
N2 Sr1 O1 100.30(7) 2_655 2_655
O2 Sr1 O3 76.24(7) . 7_656
N1 Sr1 O3 76.32(8) 3 7_656
O3 Sr1 O3 73.98(8) . 7_656
O1 Sr1 O3 111.67(7) . 7_656
O2 Sr1 O3 123.18(7) 4_645 7_656
N2 Sr1 O3 47.56(7) 2_655 7_656
O1 Sr1 O3 135.44(7) 2_655 7_656
O2 Sr1 N3 146.64(7) . .
N1 Sr1 N3 120.56(8) 3 .
O3 Sr1 N3 69.10(8) . .
O1 Sr1 N3 47.84(8) . .
O2 Sr1 N3 74.82(7) 4_645 .
N2 Sr1 N3 111.86(8) 2_655 .
O1 Sr1 N3 82.08(7) 2_655 .
O3 Sr1 N3 133.66(7) 7_656 .
O2 Sr1 C2 93.10(8) . 4_645
N1 Sr1 C2 26.06(9) 3 4_645
O3 Sr1 C2 71.88(7) . 4_645
O1 Sr1 C2 142.59(8) . 4_645
O2 Sr1 C2 24.78(8) 4_645 4_645
N2 Sr1 C2 146.00(8) 2_655 4_645
O1 Sr1 C2 103.40(7) 2_655 4_645
O3 Sr1 C2 98.87(8) 7_656 4_645
N3 Sr1 C2 95.36(8) . 4_645
O2 Sr1 C1 128.39(8) . .
N1 Sr1 C1 144.81(8) 3 .
O3 Sr1 C1 86.98(8) . .
O1 Sr1 C1 23.76(8) . .
O2 Sr1 C1 95.86(7) 4_645 .
N2 Sr1 C1 92.29(8) 2_655 .
O1 Sr1 C1 68.97(7) 2_655 .
O3 Sr1 C1 129.86(7) 7_656 .
N3 Sr1 C1 25.31(8) . .
C2 Sr1 C1 118.84(8) 4_645 .
O2 Sr1 C3 70.34(7) . 7_656
N1 Sr1 C3 97.09(8) 3 7_656
O3 Sr1 C3 89.34(8) . 7_656
O1 Sr1 C3 92.60(8) . 7_656
O2 Sr1 C3 146.25(8) 4_645 7_656
N2 Sr1 C3 24.49(8) 2_655 7_656
O1 Sr1 C3 116.63(8) 2_655 7_656
O3 Sr1 C3 23.76(8) 7_656 7_656
N3 Sr1 C3 129.33(7) . 7_656
C2 Sr1 C3 121.51(9) 4_645 7_656
C1 Sr1 C3 114.60(8) . 7_656
C1 O1 Li1 128.7(3) . .
C1 O1 Sr1 100.13(19) . .
Li1 O1 Sr1 121.7(2) . .
C1 O1 Sr1 117.7(2) . 2_655
Li1 O1 Sr1 86.75(19) . 2_655
Sr1 O1 Sr1 97.82(8) . 2_655
C2 O2 Li1 110.8(3) . 2_655
C2 O2 Sr1 119.43(17) . .
Li1 O2 Sr1 92.62(19) 2_655 .
C2 O2 Sr1 94.49(18) . 4_655
Li1 O2 Sr1 112.74(19) 2_655 4_655
Sr1 O2 Sr1 127.26(9) . 4_655
C3 O3 Li1 120.4(3) . 5_656
C3 O3 Sr1 125.53(18) . .
Li1 O3 Sr1 91.49(18) 5_656 .
C3 O3 Sr1 93.31(19) . 7_656
Li1 O3 Sr1 121.9(2) 5_656 7_656
Sr1 O3 Sr1 106.02(8) . 7_656
C1 N1 C2 115.7(3) . 2_645
C1 N1 Sr1 142.4(2) . 3_445
C2 N1 Sr1 95.5(2) 2_645 3_445
C3 N2 C2 116.6(3) 8_455 .
C3 N2 Sr1 99.10(19) 8_455 2_655
C2 N2 Sr1 140.3(2) . 2_655
C1 N3 C3 115.3(3) . 7_646
C1 N3 Li1 107.4(2) . 5_656
C3 N3 Li1 114.4(3) 7_646 5_656
C1 N3 Sr1 89.58(19) . .
C3 N3 Sr1 141.72(19) 7_646 .
Li1 N3 Sr1 81.96(18) 5_656 .
O1 C1 N1 118.6(3) . .
O1 C1 N3 116.7(3) . .
N1 C1 N3 124.8(3) . .
O1 C1 Sr1 56.11(16) . .
N1 C1 Sr1 157.0(2) . .
N3 C1 Sr1 65.11(17) . .
O2 C2 N2 119.8(3) . .
O2 C2 N1 116.4(3) . 2_665
N2 C2 N1 123.8(3) . 2_665
O2 C2 Li1 42.36(19) . 2_655
N2 C2 Li1 87.1(2) . 2_655
N1 C2 Li1 139.2(2) 2_665 2_655
O2 C2 Sr1 60.73(16) . 4_655
N2 C2 Sr1 163.28(19) . 4_655
N1 C2 Sr1 58.48(16) 2_665 4_655
Li1 C2 Sr1 84.27(15) 2_655 4_655
O3 C3 N2 116.7(3) . 8_556
O3 C3 N3 119.7(3) . 7_646
N2 C3 N3 123.5(3) 8_556 7_646
O3 C3 Sr1 62.92(17) . 7_656
N2 C3 Sr1 56.41(17) 8_556 7_656
N3 C3 Sr1 164.02(19) 7_646 7_656
O2 Li1 O3 122.9(3) 2_655 5_656
O2 Li1 O1 96.5(2) 2_655 .
O3 Li1 O1 109.8(3) 5_656 .
O2 Li1 N3 105.5(3) 2_655 5_656
O3 Li1 N3 100.8(2) 5_656 5_656
O1 Li1 N3 123.2(3) . 5_656
O2 Li1 C2 26.81(13) 2_655 2_655
O3 Li1 C2 146.4(3) 5_656 2_655
O1 Li1 C2 93.3(2) . 2_655
N3 Li1 C2 85.5(2) 5_656 2_655
O2 Li1 Sr1 51.97(14) 2_655 2_655
O3 Li1 Sr1 102.6(2) 5_656 2_655
O1 Li1 Sr1 57.25(15) . 2_655
N3 Li1 Sr1 154.3(3) 5_656 2_655
C2 Li1 Sr1 69.10(13) 2_655 2_655
O2 Li1 Sr1 157.3(3) 2_655 5_656
O3 Li1 Sr1 53.06(14) 5_656 5_656
O1 Li1 Sr1 105.8(2) . 5_656
N3 Li1 Sr1 58.49(14) 5_656 5_656
C2 Li1 Sr1 143.9(2) 2_655 5_656
Sr1 Li1 Sr1 146.8(2) 2_655 5_656
O2 Li1 Sr1 39.86(14) 2_655 3_455
O3 Li1 Sr1 95.1(2) 5_656 3_455
O1 Li1 Sr1 135.8(2) . 3_455
N3 Li1 Sr1 84.97(19) 5_656 3_455
C2 Li1 Sr1 52.21(13) 2_655 3_455
Sr1 Li1 Sr1 82.45(12) 2_655 3_455
Sr1 Li1 Sr1 118.32(15) 5_656 3_455
O2 Li1 Sr1 80.07(18) 2_655 .
O3 Li1 Sr1 143.1(3) 5_656 .
O1 Li1 Sr1 34.08(13) . .
N3 Li1 Sr1 99.5(2) 5_656 .
C2 Li1 Sr1 65.60(13) 2_655 .
Sr1 Li1 Sr1 67.10(9) 2_655 .
Sr1 Li1 Sr1 116.63(16) 5_656 .
Sr1 Li1 Sr1 117.15(14) 3_455 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 O2 2.617(2) .
Sr1 N1 2.625(3) 3
Sr1 O3 2.666(2) .
Sr1 O1 2.668(2) .
Sr1 O2 2.682(2) 4_645
Sr1 N2 2.687(3) 2_655
Sr1 O1 2.796(3) 2_655
Sr1 O3 2.840(2) 7_656
Sr1 N3 2.871(3) .
Sr1 C2 3.065(3) 4_645
Sr1 C1 3.164(3) .
Sr1 C3 3.185(3) 7_656
O1 C1 1.295(4) .
O1 Li1 1.954(6) .
O1 Sr1 2.796(3) 2_655
O2 C2 1.289(4) .
O2 Li1 1.925(6) 2_655
O2 Sr1 2.682(2) 4_655
O3 C3 1.286(4) .
O3 Li1 1.934(6) 5_656
O3 Sr1 2.840(2) 7_656
N1 C1 1.334(4) .
N1 C2 1.353(4) 2_645
N1 Sr1 2.625(3) 3_445
N2 C3 1.337(4) 8_455
N2 C2 1.349(4) .
N2 Sr1 2.687(3) 2_655
N3 C1 1.353(4) .
N3 C3 1.364(4) 7_646
N3 Li1 2.144(6) 5_656
C2 N1 1.353(4) 2_665
C2 Li1 2.671(7) 2_655
C2 Sr1 3.065(3) 4_655
C3 N2 1.337(4) 8_556
C3 N3 1.364(4) 7_646
C3 Sr1 3.185(3) 7_656
Li1 O2 1.925(6) 2_655
Li1 O3 1.934(6) 5_656
Li1 N3 2.144(6) 5_656
Li1 C2 2.671(7) 2_655
Li1 Sr1 3.319(5) 2_655
Li1 Sr1 3.334(5) 5_656
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
O2 Sr1 O1 C1 131.84(18) . .
N1 Sr1 O1 C1 -11.9(5) 3 .
O3 Sr1 O1 C1 -68.98(19) . .
O2 Sr1 O1 C1 10.0(2) 4_645 .
N2 Sr1 O1 C1 -165.9(2) 2_655 .
O1 Sr1 O1 C1 83.92(17) 2_655 .
O3 Sr1 O1 C1 -143.99(17) 7_656 .
N3 Sr1 O1 C1 -14.03(17) . .
C2 Sr1 O1 C1 -1.5(2) 4_645 .
C3 Sr1 O1 C1 -158.58(19) 7_656 .
O2 Sr1 O1 Li1 -79.2(2) . .
N1 Sr1 O1 Li1 137.0(4) 3 .
O3 Sr1 O1 Li1 80.0(2) . .
O2 Sr1 O1 Li1 158.9(2) 4_645 .
N2 Sr1 O1 Li1 -16.9(2) 2_655 .
O1 Sr1 O1 Li1 -127.1(2) 2_655 .
O3 Sr1 O1 Li1 5.0(2) 7_656 .
N3 Sr1 O1 Li1 134.9(3) . .
C2 Sr1 O1 Li1 147.4(2) 4_645 .
C1 Sr1 O1 Li1 148.9(3) . .
C3 Sr1 O1 Li1 -9.6(2) 7_656 .
O2 Sr1 O1 Sr1 11.79(9) . 2_655
N1 Sr1 O1 Sr1 -132.0(3) 3 2_655
O3 Sr1 O1 Sr1 170.96(7) . 2_655
O2 Sr1 O1 Sr1 -110.07(8) 4_645 2_655
N2 Sr1 O1 Sr1 74.07(8) 2_655 2_655
O1 Sr1 O1 Sr1 -36.14(9) 2_655 2_655
O3 Sr1 O1 Sr1 95.95(8) 7_656 2_655
N3 Sr1 O1 Sr1 -134.08(12) . 2_655
C2 Sr1 O1 Sr1 -121.60(11) 4_645 2_655
C1 Sr1 O1 Sr1 -120.1(2) . 2_655
C3 Sr1 O1 Sr1 81.37(8) 7_656 2_655
N1 Sr1 O2 C2 -150.4(2) 3 .
O3 Sr1 O2 C2 -106.5(2) . .
O1 Sr1 O2 C2 36.7(2) . .
O2 Sr1 O2 C2 167.3(2) 4_645 .
N2 Sr1 O2 C2 -22.1(2) 2_655 .
O1 Sr1 O2 C2 87.1(2) 2_655 .
O3 Sr1 O2 C2 -71.2(2) 7_656 .
N3 Sr1 O2 C2 85.8(2) . .
C2 Sr1 O2 C2 -169.6(2) 4_645 .
C1 Sr1 O2 C2 59.2(2) . .
C3 Sr1 O2 C2 -47.1(2) 7_656 .
N1 Sr1 O2 Li1 93.83(19) 3 2_655
O3 Sr1 O2 Li1 137.7(2) . 2_655
O1 Sr1 O2 Li1 -79.1(2) . 2_655
O2 Sr1 O2 Li1 51.52(18) 4_645 2_655
N2 Sr1 O2 Li1 -137.8(2) 2_655 2_655
O1 Sr1 O2 Li1 -28.71(18) 2_655 2_655
O3 Sr1 O2 Li1 173.03(19) 7_656 2_655
N3 Sr1 O2 Li1 -30.0(2) . 2_655
C2 Sr1 O2 Li1 74.65(19) 4_645 2_655
C1 Sr1 O2 Li1 -56.6(2) . 2_655
C3 Sr1 O2 Li1 -162.9(2) 7_656 2_655
N1 Sr1 O2 Sr1 -27.58(10) 3 4_655
O3 Sr1 O2 Sr1 16.29(17) . 4_655
O1 Sr1 O2 Sr1 159.49(9) . 4_655
O2 Sr1 O2 Sr1 -69.88(12) 4_645 4_655
N2 Sr1 O2 Sr1 100.77(11) 2_655 4_655
O1 Sr1 O2 Sr1 -150.11(12) 2_655 4_655
O3 Sr1 O2 Sr1 51.63(10) 7_656 4_655
N3 Sr1 O2 Sr1 -151.38(11) . 4_655
C2 Sr1 O2 Sr1 -46.75(11) 4_645 4_655
C1 Sr1 O2 Sr1 -178.00(9) . 4_655
C3 Sr1 O2 Sr1 75.69(11) 7_656 4_655
O2 Sr1 O3 C3 -70.4(3) . .
N1 Sr1 O3 C3 -27.2(2) 3 .
O1 Sr1 O3 C3 142.9(3) . .
O2 Sr1 O3 C3 24.1(2) 4_645 .
N2 Sr1 O3 C3 -147.4(3) 2_655 .
O1 Sr1 O3 C3 84.5(3) 2_655 .
O3 Sr1 O3 C3 -106.2(3) 7_656 .
N3 Sr1 O3 C3 102.3(3) . .
C2 Sr1 O3 C3 -1.0(2) 4_645 .
C1 Sr1 O3 C3 120.7(3) . .
C3 Sr1 O3 C3 -124.6(2) 7_656 .
O2 Sr1 O3 Li1 159.68(19) . 5_656
N1 Sr1 O3 Li1 -157.1(2) 3 5_656
O1 Sr1 O3 Li1 13.0(2) . 5_656
O2 Sr1 O3 Li1 -105.8(2) 4_645 5_656
N2 Sr1 O3 Li1 82.7(2) 2_655 5_656
O1 Sr1 O3 Li1 -45.3(2) 2_655 5_656
O3 Sr1 O3 Li1 123.9(2) 7_656 5_656
N3 Sr1 O3 Li1 -27.54(19) . 5_656
C2 Sr1 O3 Li1 -130.8(2) 4_645 5_656
C1 Sr1 O3 Li1 -9.1(2) . 5_656
C3 Sr1 O3 Li1 105.5(2) 7_656 5_656
O2 Sr1 O3 Sr1 35.77(14) . 7_656
N1 Sr1 O3 Sr1 79.00(9) 3 7_656
O1 Sr1 O3 Sr1 -110.94(8) . 7_656
O2 Sr1 O3 Sr1 130.26(8) 4_645 7_656
N2 Sr1 O3 Sr1 -41.20(9) 2_655 7_656
O1 Sr1 O3 Sr1 -169.26(10) 2_655 7_656
O3 Sr1 O3 Sr1 0.0 7_656 7_656
N3 Sr1 O3 Sr1 -151.45(10) . 7_656
C2 Sr1 O3 Sr1 105.24(9) 4_645 7_656
C1 Sr1 O3 Sr1 -133.06(8) . 7_656
C3 Sr1 O3 Sr1 -18.39(8) 7_656 7_656
O2 Sr1 N3 C1 -55.2(2) . .
N1 Sr1 N3 C1 -166.30(16) 3 .
O3 Sr1 N3 C1 132.52(18) . .
O1 Sr1 N3 C1 13.21(16) . .
O2 Sr1 N3 C1 -145.22(18) 4_645 .
N2 Sr1 N3 C1 41.58(18) 2_655 .
O1 Sr1 N3 C1 -56.39(16) 2_655 .
O3 Sr1 N3 C1 93.11(18) 7_656 .
C2 Sr1 N3 C1 -159.21(17) 4_645 .
C3 Sr1 N3 C1 61.71(19) 7_656 .
O2 Sr1 N3 C3 77.6(4) . 7_646
N1 Sr1 N3 C3 -33.5(4) 3 7_646
O3 Sr1 N3 C3 -94.6(3) . 7_646
O1 Sr1 N3 C3 146.0(4) . 7_646
O2 Sr1 N3 C3 -12.4(3) 4_645 7_646
N2 Sr1 N3 C3 174.4(3) 2_655 7_646
O1 Sr1 N3 C3 76.4(3) 2_655 7_646
O3 Sr1 N3 C3 -134.1(3) 7_656 7_646
C2 Sr1 N3 C3 -26.4(3) 4_645 7_646
C1 Sr1 N3 C3 132.8(4) . 7_646
C3 Sr1 N3 C3 -165.4(4) 7_656 7_646
O2 Sr1 N3 Li1 -162.85(18) . 5_656
N1 Sr1 N3 Li1 86.09(18) 3 5_656
O3 Sr1 N3 Li1 24.91(17) . 5_656
O1 Sr1 N3 Li1 -94.40(18) . 5_656
O2 Sr1 N3 Li1 107.17(18) 4_645 5_656
N2 Sr1 N3 Li1 -66.03(18) 2_655 5_656
O1 Sr1 N3 Li1 -164.01(18) 2_655 5_656
O3 Sr1 N3 Li1 -14.5(2) 7_656 5_656
C2 Sr1 N3 Li1 93.18(18) 4_645 5_656
C1 Sr1 N3 Li1 -107.6(2) . 5_656
C3 Sr1 N3 Li1 -45.9(2) 7_656 5_656
Li1 O1 C1 N1 60.5(4) . .
Sr1 O1 C1 N1 -153.7(2) . .
Sr1 O1 C1 N1 -49.3(3) 2_655 .
Li1 O1 C1 N3 -120.5(3) . .
Sr1 O1 C1 N3 25.3(3) . .
Sr1 O1 C1 N3 129.7(2) 2_655 .
Li1 O1 C1 Sr1 -145.8(4) . .
Sr1 O1 C1 Sr1 104.46(16) 2_655 .
C2 N1 C1 O1 175.4(2) 2_645 .
Sr1 N1 C1 O1 -41.6(5) 3_445 .
C2 N1 C1 N3 -3.5(4) 2_645 .
Sr1 N1 C1 N3 139.5(3) 3_445 .
C2 N1 C1 Sr1 105.4(6) 2_645 .
Sr1 N1 C1 Sr1 -111.6(5) 3_445 .
C3 N3 C1 O1 -172.8(2) 7_646 .
Li1 N3 C1 O1 58.5(3) 5_656 .
Sr1 N3 C1 O1 -23.0(2) . .
C3 N3 C1 N1 6.1(4) 7_646 .
Li1 N3 C1 N1 -122.6(3) 5_656 .
Sr1 N3 C1 N1 155.9(3) . .
C3 N3 C1 Sr1 -149.8(2) 7_646 .
Li1 N3 C1 Sr1 81.4(2) 5_656 .
O2 Sr1 C1 O1 -60.1(2) . .
N1 Sr1 C1 O1 175.86(17) 3 .
O3 Sr1 C1 O1 111.54(19) . .
O2 Sr1 C1 O1 -171.26(18) 4_645 .
N2 Sr1 C1 O1 13.19(19) 2_655 .
O1 Sr1 C1 O1 -86.97(19) 2_655 .
O3 Sr1 C1 O1 45.4(2) 7_656 .
N3 Sr1 C1 O1 155.1(3) . .
C2 Sr1 C1 O1 178.93(17) 4_645 .
C3 Sr1 C1 O1 23.7(2) 7_656 .
O2 Sr1 C1 N1 23.8(6) . .
N1 Sr1 C1 N1 -100.3(6) 3 .
O3 Sr1 C1 N1 -164.6(6) . .
O1 Sr1 C1 N1 83.8(6) . .
O2 Sr1 C1 N1 -87.4(6) 4_645 .
N2 Sr1 C1 N1 97.0(6) 2_655 .
O1 Sr1 C1 N1 -3.1(6) 2_655 .
O3 Sr1 C1 N1 129.2(5) 7_656 .
N3 Sr1 C1 N1 -121.0(6) . .
C2 Sr1 C1 N1 -97.2(6) 4_645 .
C3 Sr1 C1 N1 107.5(6) 7_656 .
O2 Sr1 C1 N3 144.80(16) . .
N1 Sr1 C1 N3 20.7(2) 3 .
O3 Sr1 C1 N3 -43.59(17) . .
O1 Sr1 C1 N3 -155.1(3) . .
O2 Sr1 C1 N3 33.60(17) 4_645 .
N2 Sr1 C1 N3 -141.95(17) 2_655 .
O1 Sr1 C1 N3 117.90(17) 2_655 .
O3 Sr1 C1 N3 -109.77(17) 7_656 .
C2 Sr1 C1 N3 23.79(19) 4_645 .
C3 Sr1 C1 N3 -131.48(16) 7_656 .
Li1 O2 C2 N2 44.4(3) 2_655 .
Sr1 O2 C2 N2 -61.4(3) . .
Sr1 O2 C2 N2 160.8(2) 4_655 .
Li1 O2 C2 N1 -135.2(3) 2_655 2_665
Sr1 O2 C2 N1 119.0(2) . 2_665
Sr1 O2 C2 N1 -18.8(2) 4_655 2_665
Sr1 O2 C2 Li1 -105.7(3) . 2_655
Sr1 O2 C2 Li1 116.4(2) 4_655 2_655
Li1 O2 C2 Sr1 -116.4(2) 2_655 4_655
Sr1 O2 C2 Sr1 137.87(18) . 4_655
C3 N2 C2 O2 -175.4(2) 8_455 .
Sr1 N2 C2 O2 33.1(4) 2_655 .
C3 N2 C2 N1 4.1(4) 8_455 2_665
Sr1 N2 C2 N1 -147.3(2) 2_655 2_665
C3 N2 C2 Li1 -147.3(2) 8_455 2_655
Sr1 N2 C2 Li1 61.2(3) 2_655 2_655
C3 N2 C2 Sr1 -88.3(8) 8_455 4_655
Sr1 N2 C2 Sr1 120.3(7) 2_655 4_655
Li1 O3 C3 N2 -148.0(3) 5_656 8_556
Sr1 O3 C3 N2 94.8(3) . 8_556
Sr1 O3 C3 N2 -17.6(2) 7_656 8_556
Li1 O3 C3 N3 31.6(4) 5_656 7_646
Sr1 O3 C3 N3 -85.5(3) . 7_646
Sr1 O3 C3 N3 162.1(2) 7_656 7_646
Li1 O3 C3 Sr1 -130.4(3) 5_656 7_656
Sr1 O3 C3 Sr1 112.4(2) . 7_656
C1 O1 Li1 O2 -159.2(3) . 2_655
Sr1 O1 Li1 O2 61.4(3) . 2_655
Sr1 O1 Li1 O2 -35.8(2) 2_655 2_655
C1 O1 Li1 O3 -30.8(5) . 5_656
Sr1 O1 Li1 O3 -170.21(17) . 5_656
Sr1 O1 Li1 O3 92.6(2) 2_655 5_656
C1 O1 Li1 N3 87.4(5) . 5_656
Sr1 O1 Li1 N3 -52.0(4) . 5_656
Sr1 O1 Li1 N3 -149.2(3) 2_655 5_656
C1 O1 Li1 C2 174.1(3) . 2_655
Sr1 O1 Li1 C2 34.7(3) . 2_655
Sr1 O1 Li1 C2 -62.52(15) 2_655 2_655
C1 O1 Li1 Sr1 -123.4(3) . 2_655
Sr1 O1 Li1 Sr1 97.18(16) . 2_655
C1 O1 Li1 Sr1 25.0(4) . 5_656
Sr1 O1 Li1 Sr1 -114.40(18) . 5_656
Sr1 O1 Li1 Sr1 148.42(17) 2_655 5_656
C1 O1 Li1 Sr1 -151.2(3) . 3_455
Sr1 O1 Li1 Sr1 69.4(4) . 3_455
Sr1 O1 Li1 Sr1 -27.8(3) 2_655 3_455
C1 O1 Li1 Sr1 139.4(4) . .
Sr1 O1 Li1 Sr1 -97.18(16) 2_655 .
O2 Sr1 Li1 O2 -7.8(2) . 2_655
N1 Sr1 Li1 O2 89.4(4) 3 2_655
O3 Sr1 Li1 O2 140.81(18) . 2_655
O1 Sr1 Li1 O2 -117.7(3) . 2_655
O2 Sr1 Li1 O2 -147.80(16) 4_645 2_655
N2 Sr1 Li1 O2 40.16(16) 2_655 2_655
O1 Sr1 Li1 O2 -69.12(18) 2_655 2_655
O3 Sr1 Li1 O2 66.90(18) 7_656 2_655
N3 Sr1 Li1 O2 -152.6(2) . 2_655
C2 Sr1 Li1 O2 175.56(19) 4_645 2_655
C1 Sr1 Li1 O2 -134.5(2) . 2_655
C3 Sr1 Li1 O2 51.95(17) 7_656 2_655
O2 Sr1 Li1 O3 125.4(4) . 5_656
N1 Sr1 Li1 O3 -137.4(3) 3 5_656
O3 Sr1 Li1 O3 -86.0(4) . 5_656
O1 Sr1 Li1 O3 15.5(3) . 5_656
O2 Sr1 Li1 O3 -14.6(5) 4_645 5_656
N2 Sr1 Li1 O3 173.3(5) 2_655 5_656
O1 Sr1 Li1 O3 64.0(4) 2_655 5_656
O3 Sr1 Li1 O3 -159.9(4) 7_656 5_656
N3 Sr1 Li1 O3 -19.4(4) . 5_656
C2 Sr1 Li1 O3 -51.3(6) 4_645 5_656
C1 Sr1 Li1 O3 -1.3(3) . 5_656
C3 Sr1 Li1 O3 -174.9(4) 7_656 5_656
O2 Sr1 Li1 O1 109.9(2) . .
N1 Sr1 Li1 O1 -152.9(3) 3 .
O3 Sr1 Li1 O1 -101.5(2) . .
O2 Sr1 Li1 O1 -30.1(3) 4_645 .
N2 Sr1 Li1 O1 157.9(3) 2_655 .
O1 Sr1 Li1 O1 48.6(2) 2_655 .
O3 Sr1 Li1 O1 -175.4(2) 7_656 .
N3 Sr1 Li1 O1 -34.9(2) . .
C2 Sr1 Li1 O1 -66.7(4) 4_645 .
C1 Sr1 Li1 O1 -16.76(19) . .
C3 Sr1 Li1 O1 169.7(2) 7_656 .
O2 Sr1 Li1 N3 -112.09(19) . 5_656
N1 Sr1 Li1 N3 -14.9(5) 3 5_656
O3 Sr1 Li1 N3 36.5(2) . 5_656
O1 Sr1 Li1 N3 138.0(4) . 5_656
O2 Sr1 Li1 N3 107.9(2) 4_645 5_656
N2 Sr1 Li1 N3 -64.11(19) 2_655 5_656
O1 Sr1 Li1 N3 -173.4(2) 2_655 5_656
O3 Sr1 Li1 N3 -37.38(19) 7_656 5_656
N3 Sr1 Li1 N3 103.1(2) . 5_656
C2 Sr1 Li1 N3 71.3(4) 4_645 5_656
C1 Sr1 Li1 N3 121.3(2) . 5_656
C3 Sr1 Li1 N3 -52.32(19) 7_656 5_656
O2 Sr1 Li1 C2 -31.53(15) . 2_655
N1 Sr1 Li1 C2 65.7(4) 3 2_655
O3 Sr1 Li1 C2 117.09(13) . 2_655
O1 Sr1 Li1 C2 -141.4(3) . 2_655
O2 Sr1 Li1 C2 -171.52(10) 4_645 2_655
N2 Sr1 Li1 C2 16.44(11) 2_655 2_655
O1 Sr1 Li1 C2 -92.84(13) 2_655 2_655
O3 Sr1 Li1 C2 43.18(13) 7_656 2_655
N3 Sr1 Li1 C2 -176.32(15) . 2_655
C2 Sr1 Li1 C2 151.8(3) 4_645 2_655
C1 Sr1 Li1 C2 -158.2(2) . 2_655
C3 Sr1 Li1 C2 28.24(12) 7_656 2_655
O2 Sr1 Li1 Sr1 44.96(11) . 2_655
N1 Sr1 Li1 Sr1 142.2(3) 3 2_655
O3 Sr1 Li1 Sr1 -166.42(9) . 2_655
O1 Sr1 Li1 Sr1 -64.9(2) . 2_655
O2 Sr1 Li1 Sr1 -95.03(14) 4_645 2_655
N2 Sr1 Li1 Sr1 92.93(13) 2_655 2_655
O1 Sr1 Li1 Sr1 -16.35(9) 2_655 2_655
O3 Sr1 Li1 Sr1 119.67(9) 7_656 2_655
N3 Sr1 Li1 Sr1 -99.83(11) . 2_655
C2 Sr1 Li1 Sr1 -131.7(2) 4_645 2_655
C1 Sr1 Li1 Sr1 -81.69(12) . 2_655
C3 Sr1 Li1 Sr1 104.72(11) 7_656 2_655
O2 Sr1 Li1 Sr1 -171.50(14) . 5_656
N1 Sr1 Li1 Sr1 -74.3(4) 3 5_656
O3 Sr1 Li1 Sr1 -22.88(17) . 5_656
O1 Sr1 Li1 Sr1 78.6(3) . 5_656
O2 Sr1 Li1 Sr1 48.5(2) 4_645 5_656
N2 Sr1 Li1 Sr1 -123.5(2) 2_655 5_656
O1 Sr1 Li1 Sr1 127.19(17) 2_655 5_656
O3 Sr1 Li1 Sr1 -96.79(16) 7_656 5_656
N3 Sr1 Li1 Sr1 43.71(15) . 5_656
C2 Sr1 Li1 Sr1 11.9(4) 4_645 5_656
C1 Sr1 Li1 Sr1 61.85(16) . 5_656
C3 Sr1 Li1 Sr1 -111.73(18) 7_656 5_656
O2 Sr1 Li1 Sr1 -22.90(17) . 3_455
N1 Sr1 Li1 Sr1 74.3(4) 3 3_455
O3 Sr1 Li1 Sr1 125.72(14) . 3_455
O1 Sr1 Li1 Sr1 -132.8(3) . 3_455
O2 Sr1 Li1 Sr1 -162.89(9) 4_645 3_455
N2 Sr1 Li1 Sr1 25.08(11) 2_655 3_455
O1 Sr1 Li1 Sr1 -84.21(14) 2_655 3_455
O3 Sr1 Li1 Sr1 51.81(14) 7_656 3_455
N3 Sr1 Li1 Sr1 -167.69(18) . 3_455
C2 Sr1 Li1 Sr1 160.5(2) 4_645 3_455
C1 Sr1 Li1 Sr1 -149.6(2) . 3_455
C3 Sr1 Li1 Sr1 36.87(13) 7_656 3_455
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168347936
