#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:21:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179965 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/59/7025981.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_7025981
loop_
_publ_author_name
'Barrett, Anthony G. M.'
'Crimmin, Mark R.'
'Hill, Michael S.'
'Hitchcock, Peter B.'
'Lomas, Sarah L.'
'Mahon, Mary F.'
'Procopiou, Panayiotis A.'
_publ_section_title
;
 Carbodiimide insertion reactions of homoleptic heavier alkaline earth
 amides and phosphides.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7393
_journal_page_last               7400
_journal_paper_doi               10.1039/c0dt00089b
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C58 H80 N4 O2 P2 Sr'
_chemical_formula_sum            'C58 H80 N4 O2 P2 Sr'
_chemical_formula_weight         1014.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.2530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.1977(2)
_cell_length_b                   16.0704(3)
_cell_length_c                   13.9234(3)
_cell_measurement_reflns_used    25438
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     2713.17(9)
_computing_cell_refinement       'HKL Scalepack (Otwinski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
;
DENZO-SCALEPACK Z. Otwinowski and W. Minor, "
Processing of X-ray Diffraction Data Collected in Oscillation Mode ",
Methods in Enzymology, Volume 276: Macromolecular Crystallography,
part A, p.307-326, 1997,C.W. Carter, Jr. & R. M. Sweet, Eds., Academic Press.
;
_computing_molecular_graphics
'ORTEP3 for Windows - Farrugia, L. J. J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material
;
'WinGX publication routines, Farrugia,
L. J., J. Appl. Crystallogr., 1999, 32, 837-838
;
_computing_structure_refinement
;
SHELXL97 -Program for Crystal Structure Analysis (Release 97-2).
Sheldrick, G.M., Institüt für Anorganische Chemie der Universität,
Tammanstrasse 4, D-3400 Göttingen, Germany, 1998
;
_computing_structure_solution
;
SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. ,
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
(1999) J. Appl. Cryst. 32, 115-119
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       '164 2.0 degree images with ω 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  0.0621
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            36348
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         5.63
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.097
_exptl_absorpt_correction_T_max  0.8982
_exptl_absorpt_correction_T_min  0.7344
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.536
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6172
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0340
_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)+(0.0344P)²+1.0772P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0747
_refine_ls_wR_factor_ref         0.0835
_reflns_number_gt                4948
_reflns_number_total             6172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00089b.txt
_cod_data_source_block           h07msh4
_cod_database_code               7025981
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr Sr 0.0000 0.0000 0.0000 0.02325(7) Uani 1 2 d S . .
O O 0.02687(12) 0.15633(8) 0.02736(12) 0.0375(3) Uani 1 1 d . B .
C1 C -0.05394(19) 0.22001(13) -0.01993(18) 0.0400(5) Uani 1 1 d . . .
H1A H -0.0520 0.2629 0.0318 0.048 Uiso 0.50 1 calc PR A 1
H1B H -0.1291 0.1962 -0.0516 0.048 Uiso 0.50 1 calc PR A 1
H1C H -0.0719 0.2486 0.0343 0.048 Uiso 0.50 1 calc PR A 2
H1D H -0.1224 0.1947 -0.0710 0.048 Uiso 0.50 1 calc PR A 2
C2 C -0.0186(10) 0.2565(6) -0.1040(8) 0.0411(18) Uani 0.50 1 d P B 1
H2A H -0.0563 0.2276 -0.1716 0.049 Uiso 0.50 1 calc PR B 1
H2B H -0.0358 0.3166 -0.1139 0.049 Uiso 0.50 1 calc PR B 1
C2A C -0.0100(10) 0.2802(6) -0.0729(9) 0.059(3) Uani 0.50 1 d P B 2
H2C H 0.0005 0.3354 -0.0387 0.071 Uiso 0.50 1 calc PR B 2
H2D H -0.0602 0.2863 -0.1473 0.071 Uiso 0.50 1 calc PR B 2
C3 C 0.1033(2) 0.24219(15) -0.0623(2) 0.0467(6) Uani 1 1 d . . .
H3A H 0.1434 0.2958 -0.0456 0.056 Uiso 0.50 1 calc PR B 1
H3B H 0.1237 0.2123 -0.1142 0.056 Uiso 0.50 1 calc PR B 1
H3C H 0.0956 0.2074 -0.1234 0.056 Uiso 0.50 1 calc PR B 2
H3D H 0.1592 0.2860 -0.0529 0.056 Uiso 0.50 1 calc PR B 2
C4 C 0.13127(18) 0.19033(13) 0.03559(18) 0.0398(5) Uani 1 1 d . B .
H4A H 0.1836 0.1453 0.0384 0.048 Uiso 1 1 calc R . .
H4B H 0.1643 0.2252 0.0990 0.048 Uiso 1 1 calc R . .
C5 C -0.24334(14) 0.02537(11) -0.11581(14) 0.0237(3) Uani 1 1 d . . .
N1 N -0.17678(12) 0.01259(10) -0.16534(12) 0.0276(3) Uani 1 1 d . . .
C11 C -0.21200(14) -0.00160(11) -0.27678(13) 0.0247(3) Uani 1 1 d . . .
H11 H -0.2877 0.0216 -0.3145 0.030 Uiso 1 1 calc R . .
C12 C -0.21252(16) -0.09519(12) -0.29953(15) 0.0298(4) Uani 1 1 d . . .
H12A H -0.1393 -0.1189 -0.2566 0.036 Uiso 1 1 calc R . .
H12B H -0.2679 -0.1231 -0.2791 0.036 Uiso 1 1 calc R . .
C13 C -0.23911(17) -0.11248(13) -0.41442(16) 0.0370(5) Uani 1 1 d . . .
H13A H -0.3151 -0.0935 -0.4570 0.044 Uiso 1 1 calc R . .
H13B H -0.2358 -0.1732 -0.4251 0.044 Uiso 1 1 calc R . .
C14 C -0.15857(19) -0.06828(14) -0.45085(17) 0.0404(5) Uani 1 1 d . . .
H14A H -0.1806 -0.0777 -0.5267 0.048 Uiso 1 1 calc R . .
H14B H -0.0837 -0.0916 -0.4138 0.048 Uiso 1 1 calc R . .
C15 C -0.15671(19) 0.02477(14) -0.42943(16) 0.0380(5) Uani 1 1 d . . .
H15A H -0.1001 0.0518 -0.4489 0.046 Uiso 1 1 calc R . .
H15B H -0.2292 0.0492 -0.4731 0.046 Uiso 1 1 calc R . .
C16 C -0.13143(16) 0.04174(13) -0.31473(15) 0.0307(4) Uani 1 1 d . . .
H16A H -0.1343 0.1025 -0.3042 0.037 Uiso 1 1 calc R . .
H16B H -0.0556 0.0226 -0.2720 0.037 Uiso 1 1 calc R . .
N2 N -0.19677(12) 0.02560(11) -0.01188(12) 0.0292(3) Uani 1 1 d . . .
C21 C -0.25215(15) 0.04073(12) 0.05854(14) 0.0271(4) Uani 1 1 d . . .
H21 H -0.3291 0.0603 0.0174 0.032 Uiso 1 1 calc R . .
C22 C -0.25541(18) -0.03966(13) 0.11604(17) 0.0367(4) Uani 1 1 d . . .
H22A H -0.3011 -0.0813 0.0648 0.044 Uiso 1 1 calc R . .
H22B H -0.1798 -0.0623 0.1500 0.044 Uiso 1 1 calc R . .
C23 C -0.3026(2) -0.02572(15) 0.19881(19) 0.0435(5) Uani 1 1 d . . .
H23A H -0.3810 -0.0091 0.1641 0.052 Uiso 1 1 calc R . .
H23B H -0.2994 -0.0785 0.2366 0.052 Uiso 1 1 calc R . .
C24 C -0.2397(2) 0.04085(16) 0.27633(17) 0.0462(5) Uani 1 1 d . . .
H24A H -0.2755 0.0508 0.3258 0.055 Uiso 1 1 calc R . .
H24B H -0.1634 0.0215 0.3169 0.055 Uiso 1 1 calc R . .
C25 C -0.2367(2) 0.12119(15) 0.22080(18) 0.0446(5) Uani 1 1 d . . .
H25A H -0.1910 0.1625 0.2725 0.053 Uiso 1 1 calc R . .
H25B H -0.3123 0.1439 0.1870 0.053 Uiso 1 1 calc R . .
C26 C -0.18925(18) 0.10726(13) 0.13818(16) 0.0346(4) Uani 1 1 d . . .
H26A H -0.1110 0.0903 0.1732 0.041 Uiso 1 1 calc R . .
H26B H -0.1917 0.1603 0.1011 0.041 Uiso 1 1 calc R . .
P P -0.39759(4) 0.04546(3) -0.17959(4) 0.02368(11) Uani 1 1 d . . .
C31 C -0.41260(15) 0.13243(11) -0.26904(14) 0.0262(4) Uani 1 1 d . . .
C32 C -0.32379(16) 0.18024(12) -0.26816(15) 0.0312(4) Uani 1 1 d . . .
H32 H -0.2506 0.1619 -0.2287 0.037 Uiso 1 1 calc R . .
C33 C -0.34082(18) 0.25414(12) -0.32407(17) 0.0376(5) Uani 1 1 d . . .
H33 H -0.2794 0.2857 -0.3228 0.045 Uiso 1 1 calc R . .
C34 C -0.44672(19) 0.28198(13) -0.38161(17) 0.0406(5) Uani 1 1 d . . .
H34 H -0.4582 0.3329 -0.4190 0.049 Uiso 1 1 calc R . .
C35 C -0.53581(18) 0.23530(13) -0.38443(16) 0.0375(5) Uani 1 1 d . . .
H35 H -0.6087 0.2538 -0.4247 0.045 Uiso 1 1 calc R . .
C36 C -0.51899(16) 0.16125(12) -0.32841(15) 0.0307(4) Uani 1 1 d . . .
H36 H -0.5808 0.1298 -0.3306 0.037 Uiso 1 1 calc R . .
C37 C -0.45111(14) -0.04627(11) -0.26225(14) 0.0256(4) Uani 1 1 d . . .
C38 C -0.49925(15) -0.04641(12) -0.37096(14) 0.0281(4) Uani 1 1 d . . .
H38 H -0.5029 0.0038 -0.4081 0.034 Uiso 1 1 calc R . .
C39 C -0.54228(16) -0.11944(12) -0.42602(16) 0.0341(4) Uani 1 1 d . . .
H39 H -0.5747 -0.1188 -0.5003 0.041 Uiso 1 1 calc R . .
C40 C -0.53772(18) -0.19298(13) -0.37240(18) 0.0394(5) Uani 1 1 d . . .
H40 H -0.5666 -0.2429 -0.4098 0.047 Uiso 1 1 calc R . .
C41 C -0.49122(19) -0.19353(13) -0.26464(18) 0.0410(5) Uani 1 1 d . . .
H41 H -0.4878 -0.2439 -0.2278 0.049 Uiso 1 1 calc R . .
C42 C -0.44915(17) -0.12032(12) -0.20953(16) 0.0335(4) Uani 1 1 d . . .
H42 H -0.4188 -0.1210 -0.1353 0.040 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
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'
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'
Sr Sr -1.5307 3.2498 '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'
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
O Sr O 180.0 . 3
O Sr N1 94.61(5) . .
O Sr N1 85.39(5) 3 .
O Sr N1 85.39(5) . 3
O Sr N1 94.61(5) 3 3
N1 Sr N1 180.00(7) . 3
O Sr N2 85.94(5) . .
O Sr N2 94.06(5) 3 .
N1 Sr N2 52.40(5) . .
N1 Sr N2 127.60(5) 3 .
O Sr N2 94.06(5) . 3
O Sr N2 85.94(5) 3 3
N1 Sr N2 127.60(5) . 3
N1 Sr N2 52.40(5) 3 3
N2 Sr N2 180.0 . 3
O Sr C5 90.15(5) . .
O Sr C5 89.85(5) 3 .
N1 Sr C5 26.18(5) . .
N1 Sr C5 153.82(5) 3 .
N2 Sr C5 26.22(5) . .
N2 Sr C5 153.78(5) 3 .
O Sr C5 89.85(5) . 3
O Sr C5 90.15(5) 3 3
N1 Sr C5 153.82(5) . 3
N1 Sr C5 26.18(5) 3 3
N2 Sr C5 153.78(5) . 3
N2 Sr C5 26.22(5) 3 3
C5 Sr C5 180.00(7) . 3
C1 O C4 106.21(15) . .
C1 O Sr 126.89(12) . .
C4 O Sr 117.24(12) . .
O C1 C2A 109.3(5) . .
O C1 C2 103.1(5) . .
O C1 H1A 111.1 . .
C2A C1 H1A 90.3 . .
C2 C1 H1A 111.1 . .
O C1 H1B 111.1 . .
C2A C1 H1B 123.8 . .
C2 C1 H1B 111.1 . .
H1A C1 H1B 109.1 . .
O C1 H1C 109.8 . .
C2A C1 H1C 109.8 . .
C2 C1 H1C 129.8 . .
H1B C1 H1C 91.1 . .
O C1 H1D 109.8 . .
C2A C1 H1D 109.8 . .
C2 C1 H1D 94.3 . .
H1A C1 H1D 124.3 . .
H1C C1 H1D 108.3 . .
C3 C2 C1 104.4(7) . .
C3 C2 H2A 110.9 . .
C1 C2 H2A 110.9 . .
C3 C2 H2B 110.9 . .
C1 C2 H2B 110.9 . .
H2A C2 H2B 108.9 . .
C1 C2A C3 104.3(7) . .
C1 C2A H2C 110.9 . .
C3 C2A H2C 110.9 . .
C1 C2A H2D 110.9 . .
C3 C2A H2D 110.9 . .
H2C C2A H2D 108.9 . .
C2 C3 C4 106.0(5) . .
C4 C3 C2A 100.6(5) . .
C2 C3 H3A 110.5 . .
C4 C3 H3A 110.5 . .
C2A C3 H3A 94.8 . .
C2 C3 H3B 110.5 . .
C4 C3 H3B 110.5 . .
C2A C3 H3B 130.1 . .
H3A C3 H3B 108.7 . .
C2 C3 H3C 91.3 . .
C4 C3 H3C 111.6 . .
C2A C3 H3C 111.6 . .
H3A C3 H3C 123.9 . .
C2 C3 H3D 125.0 . .
C4 C3 H3D 111.6 . .
C2A C3 H3D 111.6 . .
H3B C3 H3D 92.2 . .
H3C C3 H3D 109.4 . .
O C4 C3 104.55(17) . .
O C4 H4A 110.8 . .
C3 C4 H4A 110.8 . .
O C4 H4B 110.8 . .
C3 C4 H4B 110.8 . .
H4A C4 H4B 108.9 . .
N1 C5 N2 116.65(15) . .
N1 C5 P 126.10(13) . .
N2 C5 P 117.24(13) . .
N1 C5 Sr 58.08(9) . .
N2 C5 Sr 58.57(9) . .
P C5 Sr 175.52(9) . .
C5 N1 C11 125.49(15) . .
C5 N1 Sr 95.74(11) . .
C11 N1 Sr 138.00(11) . .
N1 C11 C16 108.97(14) . .
N1 C11 C12 110.35(15) . .
C16 C11 C12 108.76(15) . .
N1 C11 H11 109.6 . .
C16 C11 H11 109.6 . .
C12 C11 H11 109.6 . .
C13 C12 C11 112.08(16) . .
C13 C12 H12A 109.2 . .
C11 C12 H12A 109.2 . .
C13 C12 H12B 109.2 . .
C11 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C12 C13 C14 111.31(17) . .
C12 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
C12 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
C13 C14 C15 110.63(17) . .
C13 C14 H14A 109.5 . .
C15 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C15 C14 H14B 109.5 . .
H14A C14 H14B 108.1 . .
C16 C15 C14 111.19(17) . .
C16 C15 H15A 109.4 . .
C14 C15 H15A 109.4 . .
C16 C15 H15B 109.4 . .
C14 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C15 C16 C11 112.76(16) . .
C15 C16 H16A 109.0 . .
C11 C16 H16A 109.0 . .
C15 C16 H16B 109.0 . .
C11 C16 H16B 109.0 . .
H16A C16 H16B 107.8 . .
C5 N2 C21 126.42(15) . .
C5 N2 Sr 95.21(11) . .
C21 N2 Sr 138.30(11) . .
N2 C21 C26 109.40(15) . .
N2 C21 C22 109.68(16) . .
C26 C21 C22 109.31(16) . .
N2 C21 H21 109.5 . .
C26 C21 H21 109.5 . .
C22 C21 H21 109.5 . .
C23 C22 C21 112.04(17) . .
C23 C22 H22A 109.2 . .
C21 C22 H22A 109.2 . .
C23 C22 H22B 109.2 . .
C21 C22 H22B 109.2 . .
H22A C22 H22B 107.9 . .
C24 C23 C22 111.69(18) . .
C24 C23 H23A 109.3 . .
C22 C23 H23A 109.3 . .
C24 C23 H23B 109.3 . .
C22 C23 H23B 109.3 . .
H23A C23 H23B 107.9 . .
C25 C24 C23 110.87(18) . .
C25 C24 H24A 109.5 . .
C23 C24 H24A 109.5 . .
C25 C24 H24B 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 108.1 . .
C24 C25 C26 111.17(19) . .
C24 C25 H25A 109.4 . .
C26 C25 H25A 109.4 . .
C24 C25 H25B 109.4 . .
C26 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
C25 C26 C21 112.47(17) . .
C25 C26 H26A 109.1 . .
C21 C26 H26A 109.1 . .
C25 C26 H26B 109.1 . .
C21 C26 H26B 109.1 . .
H26A C26 H26B 107.8 . .
C31 P C37 106.01(8) . .
C31 P C5 104.83(8) . .
C37 P C5 103.49(8) . .
C32 C31 C36 117.79(17) . .
C32 C31 P 123.29(14) . .
C36 C31 P 117.99(15) . .
C33 C32 C31 121.04(18) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C34 C33 C32 120.3(2) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C35 C34 C33 119.67(19) . .
C35 C34 H34 120.2 . .
C33 C34 H34 120.2 . .
C34 C35 C36 120.16(19) . .
C34 C35 H35 119.9 . .
C36 C35 H35 119.9 . .
C35 C36 C31 121.04(19) . .
C35 C36 H36 119.5 . .
C31 C36 H36 119.5 . .
C38 C37 C42 118.51(17) . .
C38 C37 P 125.61(14) . .
C42 C37 P 115.73(14) . .
C37 C38 C39 120.77(18) . .
C37 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
C40 C39 C38 119.99(19) . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C41 C40 C39 119.83(19) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 120.19(19) . .
C40 C41 H41 119.9 . .
C42 C41 H41 119.9 . .
C37 C42 C41 120.68(19) . .
C37 C42 H42 119.7 . .
C41 C42 H42 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr O 2.5447(14) .
Sr O 2.5447(14) 3
Sr N1 2.5579(15) .
Sr N1 2.5579(15) 3
Sr N2 2.5693(15) .
Sr N2 2.5693(15) 3
Sr C5 2.9986(17) .
Sr C5 2.9986(17) 3
O C1 1.437(2) .
O C4 1.444(2) .
C1 C2A 1.468(13) .
C1 C2 1.536(12) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 H1C 0.9900 .
C1 H1D 0.9900 .
C2 C3 1.497(13) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C2A C3 1.568(12) .
C2A H2C 0.9900 .
C2A H2D 0.9900 .
C3 C4 1.513(3) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 H3C 0.9900 .
C3 H3D 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 N1 1.330(2) .
C5 N2 1.330(2) .
C5 P 1.8999(18) .
N1 C11 1.451(2) .
C11 C16 1.529(3) .
C11 C12 1.536(3) .
C11 H11 1.0000 .
C12 C13 1.522(3) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.522(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.523(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.522(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
N2 C21 1.456(2) .
C21 C26 1.528(3) .
C21 C22 1.529(3) .
C21 H21 1.0000 .
C22 C23 1.527(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.514(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.513(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.528(3) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
P C31 1.8300(19) .
P C37 1.8315(18) .
C31 C32 1.398(3) .
C31 C36 1.398(3) .
C32 C33 1.389(3) .
C32 H32 0.9500 .
C33 C34 1.382(3) .
C33 H33 0.9500 .
C34 C35 1.382(3) .
C34 H34 0.9500 .
C35 C36 1.392(3) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.391(3) .
C37 C42 1.393(3) .
C38 C39 1.394(3) .
C38 H38 0.9500 .
C39 C40 1.386(3) .
C39 H39 0.9500 .
C40 C41 1.379(3) .
C40 H40 0.9500 .
C41 C42 1.395(3) .
C41 H41 0.9500 .
C42 H42 0.9500 .
