#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:34:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179336 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/33/4323313.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_4323313
loop_
_publ_author_name
'Matthias Westerhausen'
'Matthias H. Digeser'
'Wolfgang Schwarz'
_publ_section_title
;
 1,3-Bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide Anions as
 Bidentate Ligands for the Alkaline Earth Metals Magnesium, Calcium,
 Strontium, and Barium
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              521
_journal_page_last               527
_journal_paper_doi               10.1021/ic960887t
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C42 H78 N2 O4 P2 Si4 Sr'
_chemical_formula_weight         936.98
_chemical_name_systematic
;
 Tris(tetrahydrofuran)strontium =
bis[1,3-bis(trimethylsilyl)-2-phenyl-1-aza-3-phosphapropenide]
;
_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
_cell_angle_alpha                98.02(3)
_cell_angle_beta                 109.67(3)
_cell_angle_gamma                104.18(3)
_cell_formula_units_Z            2
_cell_length_a                   11.448(3)
_cell_length_b                   15.794(6)
_cell_length_c                   16.706(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2674.9(18)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0758
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            5717
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    1.193
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_F_000             1000
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.210
_refine_ls_goodness_of_fit_obs   1.335
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         5379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.251
_refine_ls_restrained_S_obs      1.335
_refine_ls_R_factor_all          0.1282
_refine_ls_R_factor_obs          0.0746
_refine_ls_shift/esd_max         -0.020
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0771P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1861
_refine_ls_wR_factor_obs         0.1563
_reflns_number_observed          3703
_reflns_number_total             5698
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960887t_3.cif
_cod_data_source_block           srncp;Compound3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0771P)^2^+0.0000P] 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^)+(0.0771P)^2^+0.0000P] 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        2674.9(16)
_cod_database_code               4323313
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Sr Sr 0.00966(8) 0.26100(6) 0.74267(5) 0.0317(4) Uani 1 d . .
P11 P 0.0839(2) 0.1028(2) 0.81299(14) 0.0381(12) Uani 1 d . .
C12 C -0.0864(13) 0.0770(7) 0.7971(5) 0.040(6) Uani 1 d . .
N13 N -0.1403(12) 0.1383(6) 0.7878(5) 0.045(7) Uani 1 d . .
Si11 Si 0.1317(3) -0.0222(2) 0.7859(2) 0.0421(14) Uani 1 d . .
C111 C 0.3098(11) 0.0188(8) 0.8072(7) 0.057(6) Uani 1 d . .
H11A H 0.3238(16) 0.0605(42) 0.7757(38) 0.068 Uiso 1 d R .
H11B H 0.3367(23) -0.0285(25) 0.7909(40) 0.068 Uiso 1 d R .
H11C H 0.3561(27) 0.0448(41) 0.8658(32) 0.068 Uiso 1 d R .
C112 C 0.0446(14) -0.0858(10) 0.6677(8) 0.085(9) Uani 1 d . .
H11D H -0.0534(59) -0.1187(53) 0.6545(19) 0.102 Uiso 1 d R .
H11E H 0.0901(56) -0.1333(46) 0.6560(16) 0.102 Uiso 1 d R .
H11F H 0.0502(77) -0.0416(27) 0.6270(24) 0.102 Uiso 1 d R .
C113 C 0.1121(14) -0.1030(9) 0.8560(9) 0.091(8) Uani 1 d . .
H11G H 0.0253(64) -0.1216(50) 0.8507(50) 0.109 Uiso 1 d R .
H11H H 0.1663(82) -0.0748(29) 0.9145(40) 0.109 Uiso 1 d R .
H11I H 0.1350(85) -0.1530(44) 0.8378(41) 0.109 Uiso 1 d R .
C121 C -0.1544(9) -0.0167(7) 0.8017(6) 0.048(5) Uani 1 d . .
C122 C -0.1386(11) -0.0342(8) 0.8841(7) 0.060(6) Uani 1 d . .
H12A H -0.0800(51) 0.0152(42) 0.9407(48) 0.072 Uiso 1 d R .
C123 C -0.2030(14) -0.1201(10) 0.8881(10) 0.099(7) Uani 1 d . .
H12B H -0.1940(19) -0.1327(17) 0.9452(76) 0.119 Uiso 1 d R .
C124 C -0.2777(14) -0.1845(9) 0.8151(12) 0.094(7) Uani 1 d . .
H12C H -0.3219(49) -0.2441(64) 0.8192(12) 0.113 Uiso 1 d R .
C125 C -0.2925(13) -0.1681(8) 0.7326(10) 0.089(7) Uani 1 d . .
H12D H -0.3461(59) -0.2187(55) 0.6770(62) 0.107 Uiso 1 d R .
C126 C -0.2323(11) -0.0820(7) 0.7284(7) 0.052(6) Uani 1 d . .
H12E H -0.2436(17) -0.0714(14) 0.6834(52) 0.063 Uiso 1 d R .
Si13 Si -0.2912(3) 0.1391(2) 0.7910(2) 0.041(2) Uani 1 d . .
C131 C -0.4347(10) 0.0472(8) 0.7048(7) 0.060(6) Uani 1 d . .
H13A H -0.4421(47) -0.0066(31) 0.7206(31) 0.072 Uiso 1 d R .
H13B H -0.4242(44) 0.0415(42) 0.6526(32) 0.072 Uiso 1 d R .
H13C H -0.5090(41) 0.0621(26) 0.6987(37) 0.072 Uiso 1 d R .
C132 C -0.3061(14) 0.2492(8) 0.7746(7) 0.083(9) Uani 1 d . .
H13D H -0.3053(69) 0.2544(22) 0.7243(37) 0.099 Uiso 1 d R .
H13E H -0.2420(58) 0.2912(28) 0.8149(36) 0.099 Uiso 1 d R .
H13F H -0.3782(57) 0.2535(21) 0.7770(47) 0.099 Uiso 1 d R .
C133 C -0.2969(14) 0.1331(12) 0.9002(6) 0.075(8) Uani 1 d . .
H13G H -0.2973(72) 0.0762(40) 0.9095(24) 0.091 Uiso 1 d R .
H13H H -0.3727(62) 0.1439(47) 0.9020(19) 0.091 Uiso 1 d R .
H13I H -0.2240(63) 0.1767(50) 0.9439(26) 0.091 Uiso 1 d R .
P21 P -0.0279(3) 0.4364(2) 0.6977(2) 0.0485(14) Uani 1 d . .
C22 C -0.1595(10) 0.3561(6) 0.6055(5) 0.031(5) Uani 1 d . .
N23 N -0.1753(8) 0.2703(5) 0.5990(4) 0.042(5) Uani 1 d . .
Si21 Si -0.0684(4) 0.5657(2) 0.7157(2) 0.054(2) Uani 1 d . .
C211 C 0.0495(14) 0.6264(8) 0.8295(6) 0.067(6) Uani 1 d . .
H21A H 0.1392(48) 0.6377(46) 0.8326(15) 0.081 Uiso 1 d R .
H21B H 0.0360(63) 0.5896(34) 0.8701(24) 0.081 Uiso 1 d R .
H21C H 0.0349(46) 0.6837(41) 0.8455(21) 0.081 Uiso 1 d R .
C212 C -0.0013(23) 0.6408(15) 0.6483(11) 0.047(4) Uiso 0.50 d P 1
H21D H 0.0960(121) 0.6418(66) 0.6605(68) 0.056 Uiso 0.50 d PR 1
H21E H -0.0028(110) 0.7071(73) 0.6676(62) 0.056 Uiso 0.50 d PR 1
H21F H -0.0590(98) 0.6144(62) 0.5806(70) 0.056 Uiso 0.50 d PR 1
C21A C -0.0977(35) 0.6321(26) 0.6302(20) 0.097(8) Uiso 0.50 d P 2
H21G H -0.0407(153) 0.6214(92) 0.5923(91) 0.117 Uiso 0.50 d PR 2
H21H H -0.0677(172) 0.7027(99) 0.6606(42) 0.117 Uiso 0.50 d PR 2
H21I H -0.1993(150) 0.6104(99) 0.5876(97) 0.117 Uiso 0.50 d PR 2
C213 C -0.2317(19) 0.5540(15) 0.7104(9) 0.152(20) Uani 1 d . .
H21J H -0.2881(63) 0.5258(83) 0.6570(60) 0.183 Uiso 1 d R .
H21K H -0.2394(42) 0.6076(57) 0.7240(80) 0.183 Uiso 1 d R .
H21L H -0.2472(49) 0.5231(77) 0.7475(70) 0.183 Uiso 1 d R .
C221 C -0.2459(10) 0.3888(7) 0.5366(5) 0.042(6) Uani 1 d . .
C222 C -0.3744(11) 0.3770(8) 0.5209(6) 0.040(6) Uani 1 d . .
H22A H -0.4106(29) 0.3492(23) 0.5568(28) 0.048 Uiso 1 d R .
C223 C -0.4540(15) 0.4049(9) 0.4542(8) 0.067(8) Uani 1 d . .
H22B H -0.5287(113) 0.3990(11) 0.4476(13) 0.081 Uiso 1 d R .
C224 C -0.4028(16) 0.4431(11) 0.3982(8) 0.080(11) Uani 1 d . .
H22C H -0.4527(80) 0.4606(29) 0.3542(69) 0.096 Uiso 1 d R .
C225 C -0.2756(17) 0.4537(10) 0.4112(7) 0.064(9) Uani 1 d . .
H22D H -0.2425(38) 0.4790(26) 0.3736(37) 0.077 Uiso 1 d R .
C226 C -0.1948(13) 0.4281(7) 0.4785(6) 0.056(6) Uani 1 d . .
H22E H -0.1075(94) 0.4364(10) 0.4860(10) 0.067 Uiso 1 d R .
Si23 Si -0.2843(3) 0.1787(2) 0.51252(14) 0.0353(14) Uani 1 d . .
C231 C -0.2202(11) 0.0809(6) 0.5332(6) 0.041(5) Uani 1 d . .
H23A H -0.1453(40) 0.0918(15) 0.5309(30) 0.049 Uiso 1 d R .
H23B H -0.2718(34) 0.0336(23) 0.4945(24) 0.049 Uiso 1 d R .
H23C H -0.2148(40) 0.0734(20) 0.5834(25) 0.049 Uiso 1 d R .
C232 C -0.4526(9) 0.1503(7) 0.5102(6) 0.060(6) Uani 1 d . .
H23D H -0.4503(11) 0.1523(45) 0.5593(29) 0.072 Uiso 1 d R .
H23E H -0.4947(33) 0.1003(36) 0.4796(40) 0.072 Uiso 1 d R .
H23F H -0.4865(31) 0.1862(34) 0.4905(44) 0.072 Uiso 1 d R .
C233 C -0.2924(13) 0.1937(7) 0.4022(6) 0.055(6) Uani 1 d . .
H23G H -0.2090(44) 0.2115(49) 0.4025(16) 0.066 Uiso 1 d R .
H23H H -0.3318(62) 0.2373(41) 0.3884(21) 0.066 Uiso 1 d R .
H23I H -0.3410(71) 0.1399(30) 0.3608(22) 0.066 Uiso 1 d R .
O10 O 0.1048(8) 0.2260(6) 0.6248(5) 0.049(4) Uani 1 d . .
C101 C 0.1084(13) 0.2770(10) 0.5608(7) 0.059(7) Uani 1 d . .
H10A H 0.1080(13) 0.3425(43) 0.5821(14) 0.071 Uiso 1 d R .
H10B H 0.0286(54) 0.2456(22) 0.5013(39) 0.071 Uiso 1 d R .
C102 C 0.2378(15) 0.2777(11) 0.5516(10) 0.068(9) Uani 1 d . .
H10C H 0.2266(16) 0.2724(11) 0.4849(39) 0.082 Uiso 1 d R .
H10D H 0.3132(45) 0.3388(38) 0.5908(23) 0.082 Uiso 1 d R .
C103 C 0.2685(21) 0.1986(14) 0.5807(10) 0.125(15) Uani 1 d . .
H10E H 0.2643(21) 0.1533(49) 0.5314(51) 0.150 Uiso 1 d R .
H10F H 0.3570(96) 0.2174(23) 0.6279(50) 0.150 Uiso 1 d R .
C104 C 0.1700(16) 0.1630(13) 0.6153(11) 0.096(10) Uani 1 d . .
H10G H 0.1111(51) 0.1118(47) 0.5769(35) 0.115 Uiso 1 d R .
H10H H 0.2068(35) 0.1497(19) 0.6671(43) 0.115 Uiso 1 d R .
O20 O 0.0522(9) 0.3336(5) 0.9033(4) 0.066(5) Uani 1 d . .
C201 C 0.0731(16) 0.2906(9) 0.9737(6) 0.090(10) Uani 1 d . .
H20A H 0.0932(20) 0.2320(49) 0.9569(15) 0.108 Uiso 1 d R .
H20B H -0.0088(71) 0.2747(16) 0.9885(14) 0.108 Uiso 1 d R .
C202 C 0.1852(15) 0.3534(10) 1.0493(7) 0.079(10) Uani 1 d . .
H20C H 0.2645(71) 0.3433(13) 1.0524(8) 0.095 Uiso 1 d R .
H20D H 0.1742(18) 0.3490(11) 1.1023(48) 0.095 Uiso 1 d R .
C203 C 0.1815(16) 0.4434(9) 1.0294(7) 0.087(10) Uani 1 d . .
H20E H 0.1451(28) 0.4754(26) 1.0685(30) 0.104 Uiso 1 d R .
H20F H 0.2738(72) 0.4835(32) 1.0413(11) 0.104 Uiso 1 d R .
C204 C 0.1029(28) 0.4272(17) 0.9413(13) 0.082(7) Uiso 0.65 d P 1
H20G H 0.1512(78) 0.4571(44) 0.9113(44) 0.098 Uiso 0.65 d PR 1
H20H H 0.0318(91) 0.4500(36) 0.9365(15) 0.098 Uiso 0.65 d PR 1
C20A C 0.0425(32) 0.4151(21) 0.9433(15) 0.038(6) Uiso 0.35 d P 2
H20I H -0.0340(130) 0.4051(25) 0.9596(29) 0.045 Uiso 0.35 d PR 2
H20J H 0.0412(33) 0.4590(71) 0.9067(58) 0.045 Uiso 0.35 d PR 2
O30 O 0.2574(7) 0.3556(5) 0.8122(4) 0.069(4) Uani 1 d . .
C301 C 0.3118(26) 0.4526(18) 0.8214(15) 0.081(6) Uiso 0.65 d P 1
H30A H 0.2740(43) 0.5119(58) 0.8795(56) 0.098 Uiso 0.65 d PR 1
H30B H 0.2666(48) 0.4698(25) 0.7320(80) 0.098 Uiso 0.65 d PR 1
C302 C 0.4572(24) 0.4663(15) 0.8514(13) 0.069(5) Uiso 0.65 d P 1
H30C H 0.4891(43) 0.4688(16) 0.8070(47) 0.082 Uiso 0.65 d PR 1
H30D H 0.4990(53) 0.5207(64) 0.8936(50) 0.082 Uiso 0.65 d PR 1
C30A C 0.3238(21) 0.4274(16) 0.7830(14) 0.026(4) Uiso 0.35 d P 2
H30E H 0.3034(65) 0.4167(38) 0.7451(120) 0.031 Uiso 0.35 d PR 2
H30F H 0.3160(31) 0.4614(103) 0.7935(30) 0.031 Uiso 0.35 d PR 2
C30B C 0.4531(36) 0.4312(27) 0.8119(22) 0.060(8) Uiso 0.35 d P 2
H30G H 0.5258(108) 0.5187(116) 0.8367(37) 0.072 Uiso 0.35 d PR 2
H30H H 0.4855(60) 0.3880(68) 0.7512(87) 0.072 Uiso 0.35 d PR 2
C303 C 0.4795(14) 0.3908(12) 0.8902(10) 0.127(12) Uani 1 d . .
H30I H 0.5308(63) 0.3638(33) 0.8679(26) 0.152 Uiso 1 d R .
H30J H 0.5228(53) 0.4109(27) 0.9518(75) 0.152 Uiso 1 d R .
C304 C 0.3528(15) 0.3272(13) 0.8662(12) 0.151(16) Uani 1 d . .
H30K H 0.3515(15) 0.3002(114) 0.8531(60) 0.181 Uiso 1 d R .
H30L H 0.3452(34) 0.3248(13) 0.8904(104) 0.181 Uiso 1 d R .
O01 O 0.4202(20) 0.6936(12) 0.8348(10) 0.169(5) Uiso 1 d . .
C011 C 0.3929(21) 0.7885(12) 0.8268(9) 0.107(4) Uiso 1 d . .
H01A H 0.4288(21) 0.8151(12) 0.7878(9) 0.128 Uiso 1 calc R .
H01B H 0.3000(21) 0.7807(12) 0.8053(9) 0.128 Uiso 1 calc R .
C012 C 0.4628(23) 0.8466(14) 0.9208(12) 0.137(6) Uiso 1 d . .
H01C H 0.4017(23) 0.8597(14) 0.9454(12) 0.164 Uiso 1 calc R .
H01D H 0.5257(23) 0.9024(14) 0.9248(12) 0.164 Uiso 1 calc R .
C013 C 0.5355(24) 0.7766(16) 0.9684(14) 0.155(7) Uiso 1 d . .
H01E H 0.6292(24) 0.8058(16) 0.9942(14) 0.186 Uiso 1 calc R .
H01G H 0.5070(24) 0.7641(16) 1.0152(14) 0.186 Uiso 1 calc R .
C014 C 0.5112(19) 0.7061(12) 0.9170(10) 0.106(4) Uiso 1 d . .
H01F H 0.4809(19) 0.6570(12) 0.9415(10) 0.128 Uiso 1 calc R .
H01H H 0.5917(19) 0.7022(12) 0.9118(10) 0.128 Uiso 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'
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'
Si Si 0.0817 0.0704 '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'
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
_geom_angle_publ_flag
O20 Sr O10 148.4(3) . . ?
O20 Sr O30 75.2(3) . . ?
O10 Sr O30 73.7(2) . . ?
O20 Sr N13 75.5(2) . . ?
O10 Sr N13 124.5(3) . . ?
O30 Sr N13 134.3(3) . . ?
O20 Sr N23 126.3(4) . . ?
O10 Sr N23 78.8(3) . . ?
O30 Sr N23 128.2(2) . . ?
N13 Sr N23 97.5(3) . . ?
O20 Sr P21 87.6(2) . . ?
O10 Sr P21 94.5(2) . . ?
O30 Sr P21 83.8(2) . . ?
N13 Sr P21 128.9(4) . . ?
N23 Sr P21 55.4(2) . . ?
O20 Sr P11 86.1(2) . . ?
O10 Sr P11 87.8(2) . . ?
O30 Sr P11 88.8(2) . . ?
N13 Sr P11 55.0(3) . . ?
N23 Sr P11 133.4(2) . . ?
P21 Sr P11 171.23(6) . . ?
O20 Sr C12 83.0(2) . . ?
O10 Sr C12 107.7(3) . . ?
O30 Sr C12 119.5(3) . . ?
N13 Sr C12 22.4(5) . . ?
N23 Sr C12 110.4(2) . . ?
P21 Sr C12 151.2(3) . . ?
P11 Sr C12 33.3(3) . . ?
O20 Sr C22 111.3(3) . . ?
O10 Sr C22 85.3(3) . . ?
O30 Sr C22 111.1(2) . . ?
N13 Sr C22 112.0(3) . . ?
N23 Sr C22 22.7(2) . . ?
P21 Sr C22 32.71(14) . . ?
P11 Sr C22 156.06(14) . . ?
C12 Sr C22 129.5(3) . . ?
C12 P11 Si11 110.3(4) . . ?
C12 P11 Sr 77.1(4) . . ?
Si11 P11 Sr 146.86(11) . . ?
N13 C12 C121 123.7(14) . . ?
N13 C12 P11 119.3(7) . . ?
C121 C12 P11 116.9(11) . . ?
N13 C12 Sr 52.1(5) . . ?
C121 C12 Sr 167.1(6) . . ?
P11 C12 Sr 69.6(2) . . ?
C12 N13 Si13 128.9(7) . . ?
C12 N13 Sr 105.5(10) . . ?
Si13 N13 Sr 125.2(7) . . ?
C113 Si11 C111 106.8(6) . . ?
C113 Si11 C112 108.6(6) . . ?
C111 Si11 C112 106.9(6) . . ?
C113 Si11 P11 117.8(6) . . ?
C111 Si11 P11 103.4(4) . . ?
C112 Si11 P11 112.5(7) . . ?
Si11 C111 H11A 109.4(4) . . ?
Si11 C111 H11B 109.9(4) . . ?
H11A C111 H11B 109.5 . . ?
Si11 C111 H11C 109.2(4) . . ?
H11A C111 H11C 109.46(10) . . ?
H11B C111 H11C 109.5 . . ?
Si11 C112 H11D 110.2(5) . . ?
Si11 C112 H11E 108.1(7) . . ?
H11D C112 H11E 109.4 . . ?
Si11 C112 H11F 110.1(5) . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
Si11 C113 H11G 109.5(5) . . ?
Si11 C113 H11H 109.6(4) . . ?
H11G C113 H11H 109.44(6) . . ?
Si11 C113 H11I 109.4(5) . . ?
H11G C113 H11I 109.45(13) . . ?
H11H C113 H11I 109.4 . . ?
C126 C121 C122 119.7(8) . . ?
C126 C121 C12 121.3(7) . . ?
C122 C121 C12 118.9(8) . . ?
C123 C122 C121 118.8(10) . . ?
C123 C122 H12A 120.6(7) . . ?
C121 C122 H12A 120.6(5) . . ?
C124 C123 C122 120.7(11) . . ?
C124 C123 H12B 119.8(7) . . ?
C122 C123 H12B 119.4(7) . . ?
C123 C124 C125 120.9(9) . . ?
C123 C124 H12C 119.5(7) . . ?
C125 C124 H12C 119.5(7) . . ?
C126 C125 C124 118.4(11) . . ?
C126 C125 H12D 121.1(7) . . ?
C124 C125 H12D 120.5(7) . . ?
C121 C126 C125 121.3(10) . . ?
C121 C126 H12E 119.5(5) . . ?
C125 C126 H12E 119.2(7) . . ?
N13 Si13 C132 105.7(5) . . ?
N13 Si13 C133 112.1(7) . . ?
C132 Si13 C133 106.6(8) . . ?
N13 Si13 C131 114.0(6) . . ?
C132 Si13 C131 109.5(7) . . ?
C133 Si13 C131 108.6(4) . . ?
Si13 C131 H13A 110.7(4) . . ?
Si13 C131 H13B 109.5(3) . . ?
H13A C131 H13B 109.3 . . ?
Si13 C131 H13C 108.7(5) . . ?
H13A C131 H13C 109.20(8) . . ?
H13B C131 H13C 109.3 . . ?
Si13 C132 H13D 109.6(4) . . ?
Si13 C132 H13E 109.6(4) . . ?
H13D C132 H13E 109.48(12) . . ?
Si13 C132 H13F 109.3(5) . . ?
H13D C132 H13F 109.5 . . ?
H13E C132 H13F 109.5 . . ?
Si13 C133 H13G 109.9(6) . . ?
Si13 C133 H13H 109.0(6) . . ?
H13G C133 H13H 109.45(7) . . ?
Si13 C133 H13I 109.5(3) . . ?
H13G C133 H13I 109.47(10) . . ?
H13H C133 H13I 109.47(8) . . ?
C22 P21 Si21 109.9(5) . . ?
C22 P21 Sr 79.9(4) . . ?
Si21 P21 Sr 156.38(15) . . ?
N23 C22 C221 121.6(7) . . ?
N23 C22 P21 119.2(8) . . ?
C221 C22 P21 119.2(7) . . ?
N23 C22 Sr 51.8(5) . . ?
C221 C22 Sr 173.4(6) . . ?
P21 C22 Sr 67.4(3) . . ?
C22 N23 Si23 128.9(7) . . ?
C22 N23 Sr 105.5(5) . . ?
Si23 N23 Sr 125.4(5) . . ?
C213 Si21 C211 108.6(8) . . ?
C213 Si21 C21A 88.4(15) . . ?
C211 Si21 C21A 118.2(10) . . ?
C213 Si21 C212 118.6(13) . . ?
C211 Si21 C212 100.9(6) . . ?
C213 Si21 P21 113.5(8) . . ?
C211 Si21 P21 102.8(6) . . ?
C21A Si21 P21 124.2(15) . . ?
C212 Si21 P21 110.4(10) . . ?
Si21 C211 H21A 109.9(6) . . ?
Si21 C211 H21B 109.4(3) . . ?
H21A C211 H21B 109.5 . . ?
Si21 C211 H21C 109.2(6) . . ?
H21A C211 H21C 109.44(9) . . ?
H21B C211 H21C 109.5 . . ?
Si21 C212 H21D 108.7(9) . . ?
Si21 C212 H21E 109.7(9) . . ?
H21D C212 H21E 109.4(2) . . ?
Si21 C212 H21F 110.1(5) . . ?
H21D C212 H21F 109.45(6) . . ?
H21E C212 H21F 109.4 . . ?
Si21 C212 H21G 115.1(94) . . ?
Si21 C212 H21H 93.3(48) . . ?
H21G C212 H21H 98.0(100) . . ?
Si21 C21A H21E 102.9(44) . . ?
Si21 C21A H21F 112.6(78) . . ?
H21E C21A H21F 92.0(65) . . ?
Si21 C21A H21G 108.1(15) . . ?
Si21 C21A H21H 110.4(11) . . ?
H21G C21A H21H 109.1(2) . . ?
Si21 C21A H21I 110.7(9) . . ?
H21G C21A H21I 109.35(11) . . ?
H21H C21A H21I 109.19(10) . . ?
Si21 C213 H21J 109.4(5) . . ?
Si21 C213 H21K 109.5(8) . . ?
H21J C213 H21K 109.5 . . ?
Si21 C213 H21L 109.5(7) . . ?
H21J C213 H21L 109.5(2) . . ?
H21K C213 H21L 109.5 . . ?
C222 C221 C226 117.6(12) . . ?
C222 C221 C22 123.8(8) . . ?
C226 C221 C22 118.3(11) . . ?
C221 C222 C223 122.7(10) . . ?
C221 C222 H22A 118.9(7) . . ?
C223 C222 H22A 118.3(7) . . ?
C222 C223 C224 118.9(15) . . ?
C222 C223 H22B 120.8(7) . . ?
C224 C223 H22B 120.3(11) . . ?
C225 C224 C223 119.4(16) . . ?
C225 C224 H22C 120.2(9) . . ?
C223 C224 H22C 120.4(10) . . ?
C224 C225 C226 122.2(11) . . ?
C224 C225 H22D 118.8(9) . . ?
C226 C225 H22D 119.0(8) . . ?
C225 C226 C221 119.0(13) . . ?
C225 C226 H22E 120.4(8) . . ?
C221 C226 H22E 120.6(8) . . ?
N23 Si23 C232 112.5(5) . . ?
N23 Si23 C233 114.1(3) . . ?
C232 Si23 C233 107.9(5) . . ?
N23 Si23 C231 105.2(5) . . ?
C232 Si23 C231 108.9(5) . . ?
C233 Si23 C231 108.0(6) . . ?
Si23 C231 H23A 109.6(3) . . ?
Si23 C231 H23B 109.4(3) . . ?
H23A C231 H23B 109.5 . . ?
Si23 C231 H23C 109.4(3) . . ?
H23A C231 H23C 109.5 . . ?
H23B C231 H23C 109.5 . . ?
Si23 C232 H23D 109.7(3) . . ?
Si23 C232 H23E 109.6(3) . . ?
H23D C232 H23E 109.42(7) . . ?
Si23 C232 H23F 109.3(4) . . ?
H23D C232 H23F 109.4 . . ?
H23E C232 H23F 109.4 . . ?
Si23 C233 H23G 109.8(4) . . ?
Si23 C233 H23H 109.2(5) . . ?
H23G C233 H23H 109.5 . . ?
Si23 C233 H23I 109.4(2) . . ?
H23G C233 H23I 109.5 . . ?
H23H C233 H23I 109.5 . . ?
C104 O10 C101 107.3(11) . . ?
C104 O10 Sr 129.0(7) . . ?
C101 O10 Sr 123.4(10) . . ?
O10 C101 C102 103.0(15) . . ?
O10 C101 H10A 111.5(8) . . ?
C102 C101 H10A 111.2(9) . . ?
O10 C101 H10B 110.7(5) . . ?
C102 C101 H10B 111.4(7) . . ?
H10A C101 H10B 109.0 . . ?
C103 C102 C101 106.2(10) . . ?
C103 C102 H10C 110.4(9) . . ?
C101 C102 H10C 109.9(8) . . ?
C103 C102 H10D 111.3(9) . . ?
C101 C102 H10D 110.5(9) . . ?
H10C C102 H10D 108.6 . . ?
C104 C103 C102 104.6(22) . . ?
C104 C103 H10E 111.6(12) . . ?
C102 C103 H10E 111.4(9) . . ?
C104 C103 H10F 109.9(10) . . ?
C102 C103 H10F 110.3(9) . . ?
H10E C103 H10F 109.1 . . ?
O10 C104 C103 109.4(14) . . ?
O10 C104 H10G 108.6(8) . . ?
C103 C104 H10G 108.9(11) . . ?
O10 C104 H10H 110.7(8) . . ?
C103 C104 H10H 111.0(11) . . ?
H10G C104 H10H 108.1 . . ?
C204 O20 C201 106.6(10) . . ?
C20A O20 C201 100.6(13) . . ?
C204 O20 Sr 124.2(9) . . ?
C20A O20 Sr 132.8(12) . . ?
C201 O20 Sr 126.0(8) . . ?
O20 C201 C202 107.3(8) . . ?
O20 C201 H20A 110.2(8) . . ?
C202 C201 H20A 109.9(11) . . ?
O20 C201 H20B 110.4(9) . . ?
C202 C201 H20B 110.5(9) . . ?
H20A C201 H20B 108.45(13) . . ?
C201 C202 C203 101.8(13) . . ?
C201 C202 H20C 111.7(11) . . ?
C203 C202 H20C 111.1(10) . . ?
C201 C202 H20D 111.1(7) . . ?
C203 C202 H20D 111.6(8) . . ?
H20C C202 H20D 109.2 . . ?
C204 C203 C202 107.5(15) . . ?
C202 C203 C20A 102.2(14) . . ?
C204 C203 H20E 111.1(19) . . ?
C202 C203 H20E 109.8(9) . . ?
C20A C203 H20E 92.1(16) . . ?
C204 C203 H20F 109.7(11) . . ?
C202 C203 H20F 110.3(10) . . ?
C20A C203 H20F 131.8(9) . . ?
H20E C203 H20F 108.4(2) . . ?
C203 C204 O20 109.9(20) . . ?
C203 C204 H20G 110.3(11) . . ?
O20 C204 H20G 110.7(11) . . ?
C203 C204 H20H 109.0(19) . . ?
O20 C204 H20H 108.6(15) . . ?
H20G C204 H20H 108.3 . . ?
C203 C204 H20J 133.2(38) . . ?
O20 C204 H20J 109.6(34) . . ?
O20 C20A C203 96.5(26) . . ?
O20 C20A H20G 82.7(25) . . ?
C203 C20A H20G 74.3(21) . . ?
O20 C20A H20H 143.6(45) . . ?
C203 C20A H20H 107.1(60) . . ?
H20G C20A H20H 77.7(76) . . ?
O20 C20A H20I 111.9(11) . . ?
C203 C20A H20I 112.5(12) . . ?
O20 C20A H20J 112.6(10) . . ?
C203 C20A H20J 112.7(10) . . ?
H20I C20A H20J 110.0 . . ?
C304 O30 C30A 106.4(13) . . ?
C304 O30 C301 108.4(13) . . ?
C304 O30 Sr 123.4(7) . . ?
C30A O30 Sr 127.6(10) . . ?
C301 O30 Sr 126.1(13) . . ?
O30 C301 C302 102.5(27) . . ?
O30 C301 H30A 114.9(12) . . ?
C302 C301 H30A 114.9(15) . . ?
O30 C301 H30B 107.8(9) . . ?
C302 C301 H30B 107.5(12) . . ?
H30A C301 H30B 108.7 . . ?
O30 C301 H30E 76.4(22) . . ?
O30 C301 H30F 115.2(100) . . ?
H30E C301 H30F 39.4(100) . . ?
C303 C302 C301 106.2(14) . . ?
C303 C302 H30C 110.3(14) . . ?
C301 C302 H30C 114.4(12) . . ?
C303 C302 H30D 110.7(10) . . ?
C301 C302 H30D 106.5(16) . . ?
H30C C302 H30D 108.8(2) . . ?
C303 C302 H30F 119.7(46) . . ?
C303 C302 H30G 129.4(43) . . ?
H30F C302 H30G 107.7(44) . . ?
C30B C30A O30 107.1(25) . . ?
O30 C30A H30B 124.1(23) . . ?
C30B C30A H30E 106.5(19) . . ?
O30 C30A H30E 107.4(8) . . ?
C30B C30A H30F 113.6(22) . . ?
O30 C30A H30F 113.3(13) . . ?
H30E C30A H30F 108.60(10) . . ?
C30A C30B C303 106.8(21) . . ?
C303 C30B H30C 128.8(58) . . ?
C30A C30B H30G 107.7(21) . . ?
C303 C30B H30G 109.7(13) . . ?
C30A C30B H30H 114.2(20) . . ?
C303 C30B H30H 110.0(22) . . ?
H30G C30B H30H 108.4 . . ?
C304 C303 C302 106.0(18) . . ?
C304 C303 C30B 99.4(16) . . ?
C304 C303 H30I 109.9(12) . . ?
C302 C303 H30I 110.9(14) . . ?
C30B C303 H30I 86.4(22) . . ?
C304 C303 H30J 111.0(10) . . ?
C302 C303 H30J 110.4(10) . . ?
C30B C303 H30J 137.9(15) . . ?
H30I C303 H30J 108.66(12) . . ?
O30 C304 C303 110.7(14) . . ?
O30 C304 H30K 110.6(10) . . ?
C303 C304 H30K 110.0(12) . . ?
O30 C304 H30L 108.5(9) . . ?
C303 C304 H30L 108.9(9) . . ?
H30K C304 H30L 108.02(7) . . ?
C014 O01 C011 107.7(15) . . ?
C012 C011 O01 103.6(17) . . ?
C012 C011 H01A 111.0(8) . . ?
O01 C011 H01A 111.0(11) . . ?
C012 C011 H01B 111.1(15) . . ?
O01 C011 H01B 111.0(11) . . ?
H01A C011 H01B 109.0 . . ?
C011 C012 C013 99.3(19) . . ?
C011 C012 H01C 111.9(14) . . ?
C013 C012 H01C 111.9(13) . . ?
C011 C012 H01D 111.9(8) . . ?
C013 C012 H01D 111.9(9) . . ?
H01C C012 H01D 109.60(6) . . ?
C014 C013 C012 112.5(20) . . ?
C014 C013 H01E 109.1(18) . . ?
C012 C013 H01E 109.1(9) . . ?
C014 C013 H01G 109.1(12) . . ?
C012 C013 H01G 109.1(13) . . ?
H01E C013 H01G 107.8 . . ?
C013 C014 O01 115.9(26) . . ?
C013 C014 H01F 108.3(12) . . ?
O01 C014 H01F 108.3(7) . . ?
C013 C014 H01H 108.3(18) . . ?
O01 C014 H01H 108.3(14) . . ?
H01F C014 H01H 107.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr O20 2.596(7) . ?
Sr O10 2.609(9) . ?
Sr O30 2.617(6) . ?
Sr N13 2.631(7) . ?
Sr N23 2.663(8) . ?
Sr P21 3.062(4) . ?
Sr P11 3.088(3) . ?
Sr C12 3.213(8) . ?
Sr C22 3.264(11) . ?
P11 C12 1.808(15) . ?
P11 Si11 2.202(5) . ?
C12 N13 1.27(2) . ?
C12 C121 1.520(10) . ?
N13 Si13 1.75(2) . ?
Si11 C113 1.871(10) . ?
Si11 C111 1.872(11) . ?
Si11 C112 1.880(11) . ?
C111 H11A 0.92(5) . ?
C111 H11B 0.92(5) . ?
C111 H11C 0.92(5) . ?
C112 H11D 1.05(6) . ?
C112 H11E 1.05(6) . ?
C112 H11F 1.05(6) . ?
C113 H11G 0.93(6) . ?
C113 H11H 0.93(6) . ?
C113 H11I 0.93(6) . ?
C121 C126 1.349(12) . ?
C121 C122 1.402(12) . ?
C122 C123 1.399(13) . ?
C122 H12A 1.03(9) . ?
C123 C124 1.33(2) . ?
C123 H12B 0.98(12) . ?
C124 C125 1.40(2) . ?
C124 H12C 0.98(10) . ?
C125 C126 1.390(12) . ?
C125 H12D 1.02(11) . ?
C126 H12E 0.77(9) . ?
Si13 C132 1.84(2) . ?
Si13 C133 1.863(9) . ?
Si13 C131 1.880(8) . ?
C131 H13A 0.92(5) . ?
C131 H13B 0.92(5) . ?
C131 H13C 0.92(5) . ?
C132 H13D 0.86(5) . ?
C132 H13E 0.86(5) . ?
C132 H13F 0.86(5) . ?
C133 H13G 0.93(5) . ?
C133 H13H 0.93(5) . ?
C133 H13I 0.93(5) . ?
P21 C22 1.792(8) . ?
P21 Si21 2.204(6) . ?
C22 N23 1.306(14) . ?
C22 C221 1.49(2) . ?
N23 Si23 1.748(6) . ?
Si21 C213 1.80(3) . ?
Si21 C211 1.867(9) . ?
Si21 C21A 1.88(3) . ?
Si21 C212 1.94(2) . ?
C211 H21A 0.98(5) . ?
C211 H21B 0.98(5) . ?
C211 H21C 0.98(5) . ?
C212 H21D 1.06(11) . ?
C212 H21E 1.06(11) . ?
C212 H21F 1.06(11) . ?
C212 H21G 0.86(15) . ?
C212 H21H 1.41(15) . ?
C21A H21G 1.07(14) . ?
C21A H21H 1.08(14) . ?
C21A H21I 1.08(14) . ?
C213 H21J 0.88(9) . ?
C213 H21K 0.88(9) . ?
C213 H21L 0.88(9) . ?
C221 C222 1.36(2) . ?
C221 C226 1.429(11) . ?
C222 C223 1.38(2) . ?
C222 H22A 0.94(7) . ?
C223 C224 1.39(2) . ?
C223 H22B 0.80(11) . ?
C224 C225 1.36(3) . ?
C224 H22C 0.89(14) . ?
C225 C226 1.38(2) . ?
C225 H22D 0.93(9) . ?
C226 H22E 0.94(10) . ?
Si23 C232 1.853(11) . ?
Si23 C233 1.866(8) . ?
Si23 C231 1.892(14) . ?
C231 H23A 0.85(4) . ?
C231 H23B 0.85(4) . ?
C231 H23C 0.85(4) . ?
C232 H23D 0.81(5) . ?
C232 H23E 0.81(5) . ?
C232 H23F 0.81(5) . ?
C233 H23G 0.93(4) . ?
C233 H23H 0.93(4) . ?
C233 H23I 0.93(4) . ?
O10 C104 1.40(2) . ?
O10 C101 1.432(13) . ?
C101 C102 1.54(3) . ?
C101 H10A 1.05(7) . ?
C101 H10B 1.05(7) . ?
C102 C103 1.48(3) . ?
C102 H10C 1.07(6) . ?
C102 H10D 1.07(6) . ?
C103 C104 1.46(2) . ?
C103 H10E 0.99(10) . ?
C103 H10F 0.99(10) . ?
C104 H10G 0.90(8) . ?
C104 H10H 0.90(7) . ?
O20 C204 1.41(3) . ?
O20 C20A 1.41(4) . ?
O20 C201 1.419(13) . ?
C201 C202 1.470(14) . ?
C201 H20A 1.03(8) . ?
C201 H20B 1.03(8) . ?
C202 C203 1.51(2) . ?
C202 H20C 0.94(8) . ?
C202 H20D 0.94(8) . ?
C203 C204 1.39(2) . ?
C203 C20A 1.65(3) . ?
C203 H20E 1.03(7) . ?
C203 H20F 1.03(8) . ?
C204 H20G 0.95(13) . ?
C204 H20H 0.95(13) . ?
C204 H20J 1.03(13) . ?
C20A H20I 0.99(15) . ?
C20A H20J 0.99(15) . ?
O30 C304 1.38(2) . ?
O30 C30A 1.44(2) . ?
O30 C301 1.47(2) . ?
C301 C302 1.52(4) . ?
C301 H30A 1.49(13) . ?
C301 H30B 1.49(13) . ?
C301 H30E 1.28(16) . ?
C301 H30F 0.52(2) . ?
C302 C303 1.47(3) . ?
C302 H30C 0.93(10) . ?
C302 H30D 0.93(10) . ?
C302 H30F 1.56(7) . ?
C302 H30G 1.11(15) . ?
C30A C30B 1.38(6) . ?
C30A H30E 0.58(18) . ?
C30A H30F 0.58(18) . ?
C30B C303 1.51(4) . ?
C30B H30G 1.35(18) . ?
C30B H30H 1.35(18) . ?
C303 C304 1.43(2) . ?
C303 H30I 0.94(11) . ?
C303 H30J 0.94(11) . ?
C304 H30K 0.45(20) . ?
C304 H30L 0.45(19) . ?
O01 C014 1.37(2) . ?
O01 C011 1.62(4) . ?
C011 C012 1.53(2) . ?
C011 H01A 0.97 . ?
C011 H01B 0.97 . ?
C012 C013 1.67(4) . ?
C012 H01C 0.97 . ?
C012 H01D 0.97 . ?
C013 C014 1.21(3) . ?
C013 H01E 0.97 . ?
C013 H01G 0.97 . ?
C014 H01F 0.97 . ?
C014 H01H 0.97 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O20 Sr P11 C12 83.2(3) . . . . ?
O10 Sr P11 C12 -127.8(3) . . . . ?
O30 Sr P11 C12 158.4(3) . . . . ?
N13 Sr P11 C12 8.2(4) . . . . ?
N23 Sr P11 C12 -55.5(4) . . . . ?
P21 Sr P11 C12 127.1(6) . . . . ?
C12 Sr P11 C12 0.000(3) . . . . ?
C22 Sr P11 C12 -54.8(6) . . . . ?
O20 Sr P11 Si11 -169.3(3) . . . . ?
O10 Sr P11 Si11 -20.3(2) . . . . ?
O30 Sr P11 Si11 -94.1(3) . . . . ?
N13 Sr P11 Si11 115.7(3) . . . . ?
N23 Sr P11 Si11 52.0(3) . . . . ?
P21 Sr P11 Si11 -125.4(5) . . . . ?
C12 Sr P11 Si11 107.5(3) . . . . ?
C22 Sr P11 Si11 52.7(5) . . . . ?
Si11 P11 C12 N13 -162.4(7) . . . . ?
Sr P11 C12 N13 -16.1(7) . . . . ?
Si11 P11 C12 C121 21.5(6) . . . . ?
Sr P11 C12 C121 167.8(6) . . . . ?
Si11 P11 C12 Sr -146.23(15) . . . . ?
Sr P11 C12 Sr 0.000(1) . . . . ?
O20 Sr C12 N13 68.6(7) . . . . ?
O10 Sr C12 N13 -141.9(6) . . . . ?
O30 Sr C12 N13 137.1(6) . . . . ?
N13 Sr C12 N13 0.000(5) . . . . ?
N23 Sr C12 N13 -57.6(7) . . . . ?
P21 Sr C12 N13 -3.2(8) . . . . ?
P11 Sr C12 N13 162.1(8) . . . . ?
C22 Sr C12 N13 -43.3(7) . . . . ?
O20 Sr C12 C121 144.0(47) . . . . ?
O10 Sr C12 C121 -66.6(47) . . . . ?
O30 Sr C12 C121 -147.5(46) . . . . ?
N13 Sr C12 C121 75.4(47) . . . . ?
N23 Sr C12 C121 17.8(48) . . . . ?
P21 Sr C12 C121 72.1(47) . . . . ?
P11 Sr C12 C121 -122.5(48) . . . . ?
C22 Sr C12 C121 32.1(48) . . . . ?
O20 Sr C12 P11 -93.5(4) . . . . ?
O10 Sr C12 P11 55.9(3) . . . . ?
O30 Sr C12 P11 -25.0(4) . . . . ?
N13 Sr C12 P11 -162.1(8) . . . . ?
N23 Sr C12 P11 140.3(3) . . . . ?
P21 Sr C12 P11 -165.4(2) . . . . ?
P11 Sr C12 P11 0.000(3) . . . . ?
C22 Sr C12 P11 154.6(3) . . . . ?
C121 C12 N13 Si13 8.3(14) . . . . ?
P11 C12 N13 Si13 -167.5(4) . . . . ?
Sr C12 N13 Si13 173.2(10) . . . . ?
C121 C12 N13 Sr -164.9(6) . . . . ?
P11 C12 N13 Sr 19.3(8) . . . . ?
Sr C12 N13 Sr 0.000(2) . . . . ?
O20 Sr N13 C12 -107.4(7) . . . . ?
O10 Sr N13 C12 45.5(8) . . . . ?
O30 Sr N13 C12 -55.8(8) . . . . ?
N23 Sr N13 C12 127.1(6) . . . . ?
P21 Sr N13 C12 178.0(5) . . . . ?
P11 Sr N13 C12 -11.9(5) . . . . ?
C12 Sr N13 C12 0.000(4) . . . . ?
C22 Sr N13 C12 145.2(6) . . . . ?
O20 Sr N13 Si13 79.1(5) . . . . ?
O10 Sr N13 Si13 -128.1(5) . . . . ?
O30 Sr N13 Si13 130.6(5) . . . . ?
N23 Sr N13 Si13 -46.5(5) . . . . ?
P21 Sr N13 Si13 4.4(6) . . . . ?
P11 Sr N13 Si13 174.5(6) . . . . ?
C12 Sr N13 Si13 -173.6(10) . . . . ?
C22 Sr N13 Si13 -28.4(6) . . . . ?
C12 P11 Si11 C113 -61.8(6) . . . . ?
Sr P11 Si11 C113 -159.4(5) . . . . ?
C12 P11 Si11 C111 -179.3(4) . . . . ?
Sr P11 Si11 C111 83.1(4) . . . . ?
C12 P11 Si11 C112 65.7(5) . . . . ?
Sr P11 Si11 C112 -31.9(5) . . . . ?
N13 C12 C121 C126 83.7(16) . . . . ?
P11 C12 C121 C126 -100.4(12) . . . . ?
Sr C12 C121 C126 17.2(55) . . . . ?
N13 C12 C121 C122 -94.3(14) . . . . ?
P11 C12 C121 C122 81.6(14) . . . . ?
Sr C12 C121 C122 -160.8(40) . . . . ?
C126 C121 C122 C123 0.9(20) . . . . ?
C12 C121 C122 C123 179.0(13) . . . . ?
C121 C122 C123 C124 0.4(22) . . . . ?
C122 C123 C124 C125 0.6(26) . . . . ?
C123 C124 C125 C126 -2.8(25) . . . . ?
C122 C121 C126 C125 -3.2(21) . . . . ?
C12 C121 C126 C125 178.8(14) . . . . ?
C124 C125 C126 C121 4.2(22) . . . . ?
C12 N13 Si13 C132 179.0(9) . . . . ?
Sr N13 Si13 C132 -8.9(6) . . . . ?
C12 N13 Si13 C133 63.3(11) . . . . ?
Sr N13 Si13 C133 -124.7(7) . . . . ?
C12 N13 Si13 C131 -60.6(10) . . . . ?
Sr N13 Si13 C131 111.4(6) . . . . ?
O20 Sr P21 C22 -137.6(4) . . . . ?
O10 Sr P21 C22 74.0(4) . . . . ?
O30 Sr P21 C22 147.1(4) . . . . ?
N13 Sr P21 C22 -68.5(4) . . . . ?
N23 Sr P21 C22 0.9(4) . . . . ?
P11 Sr P21 C22 178.6(6) . . . . ?
C12 Sr P21 C22 -66.9(5) . . . . ?
C22 Sr P21 C22 0.000(2) . . . . ?
O20 Sr P21 Si21 -20.6(4) . . . . ?
O10 Sr P21 Si21 -169.0(4) . . . . ?
O30 Sr P21 Si21 -96.0(4) . . . . ?
N13 Sr P21 Si21 48.5(4) . . . . ?
N23 Sr P21 Si21 117.8(5) . . . . ?
P11 Sr P21 Si21 -64.4(8) . . . . ?
C12 Sr P21 Si21 50.1(5) . . . . ?
C22 Sr P21 Si21 117.0(6) . . . . ?
Si21 P21 C22 N23 -159.3(8) . . . . ?
Sr P21 C22 N23 -1.7(8) . . . . ?
Si21 P21 C22 C221 22.5(9) . . . . ?
Sr P21 C22 C221 -179.8(9) . . . . ?
Si21 P21 C22 Sr -157.7(2) . . . . ?
Sr P21 C22 Sr 0.000(1) . . . . ?
O20 Sr C22 N23 -135.5(7) . . . . ?
O10 Sr C22 N23 72.3(7) . . . . ?
O30 Sr C22 N23 142.8(7) . . . . ?
N13 Sr C22 N23 -53.2(8) . . . . ?
N23 Sr C22 N23 0.000(4) . . . . ?
P21 Sr C22 N23 178.2(9) . . . . ?
P11 Sr C22 N23 -1.3(10) . . . . ?
C12 Sr C22 N23 -36.8(9) . . . . ?
O20 Sr C22 C221 -135.3(63) . . . . ?
O10 Sr C22 C221 72.5(64) . . . . ?
O30 Sr C22 C221 143.0(63) . . . . ?
N13 Sr C22 C221 -52.9(64) . . . . ?
N23 Sr C22 C221 0.3(60) . . . . ?
P21 Sr C22 C221 178.4(66) . . . . ?
P11 Sr C22 C221 -1.1(67) . . . . ?
C12 Sr C22 C221 -36.6(65) . . . . ?
O20 Sr C22 P21 46.3(4) . . . . ?
O10 Sr C22 P21 -105.9(3) . . . . ?
O30 Sr C22 P21 -35.4(4) . . . . ?
N13 Sr C22 P21 128.7(4) . . . . ?
N23 Sr C22 P21 -178.2(9) . . . . ?
P21 Sr C22 P21 0.000(2) . . . . ?
P11 Sr C22 P21 -179.5(2) . . . . ?
C12 Sr C22 P21 145.0(4) . . . . ?
C221 C22 N23 Si23 4.6(16) . . . . ?
P21 C22 N23 Si23 -173.5(6) . . . . ?
Sr C22 N23 Si23 -175.5(12) . . . . ?
C221 C22 N23 Sr -180.0(8) . . . . ?
P21 C22 N23 Sr 1.9(10) . . . . ?
Sr C22 N23 Sr 0.000(2) . . . . ?
O20 Sr N23 C22 54.0(7) . . . . ?
O10 Sr N23 C22 -104.7(7) . . . . ?
O30 Sr N23 C22 -45.9(9) . . . . ?
N13 Sr N23 C22 131.5(7) . . . . ?
P21 Sr N23 C22 -1.2(6) . . . . ?
P11 Sr N23 C22 179.3(6) . . . . ?
C12 Sr N23 C22 150.4(7) . . . . ?
C22 Sr N23 C22 0.000(4) . . . . ?
O20 Sr N23 Si23 -130.3(5) . . . . ?
O10 Sr N23 Si23 71.0(5) . . . . ?
O30 Sr N23 Si23 129.8(4) . . . . ?
N13 Sr N23 Si23 -52.8(6) . . . . ?
P21 Sr N23 Si23 174.5(6) . . . . ?
P11 Sr N23 Si23 -5.1(7) . . . . ?
C12 Sr N23 Si23 -33.9(6) . . . . ?
C22 Sr N23 Si23 175.7(11) . . . . ?
C22 P21 Si21 C213 46.8(6) . . . . ?
Sr P21 Si21 C213 -64.3(7) . . . . ?
C22 P21 Si21 C211 163.9(5) . . . . ?
Sr P21 Si21 C211 52.8(6) . . . . ?
C22 P21 Si21 C21A -58.3(12) . . . . ?
Sr P21 Si21 C21A -169.4(12) . . . . ?
C22 P21 Si21 C212 -89.2(7) . . . . ?
Sr P21 Si21 C212 159.7(7) . . . . ?
N23 C22 C221 C222 69.2(17) . . . . ?
P21 C22 C221 C222 -112.7(10) . . . . ?
Sr C22 C221 C222 69.0(70) . . . . ?
N23 C22 C221 C226 -105.3(11) . . . . ?
P21 C22 C221 C226 72.8(13) . . . . ?
Sr C22 C221 C226 -105.5(60) . . . . ?
C226 C221 C222 C223 -2.8(19) . . . . ?
C22 C221 C222 C223 -177.4(12) . . . . ?
C221 C222 C223 C224 2.8(21) . . . . ?
C222 C223 C224 C225 -1.2(23) . . . . ?
C223 C224 C225 C226 -0.2(26) . . . . ?
C224 C225 C226 C221 0.1(23) . . . . ?
C222 C221 C226 C225 1.3(17) . . . . ?
C22 C221 C226 C225 176.2(11) . . . . ?
C22 N23 Si23 C232 -77.9(10) . . . . ?
Sr N23 Si23 C232 107.5(6) . . . . ?
C22 N23 Si23 C233 45.5(13) . . . . ?
Sr N23 Si23 C233 -129.1(7) . . . . ?
C22 N23 Si23 C231 163.7(10) . . . . ?
Sr N23 Si23 C231 -10.9(6) . . . . ?
O20 Sr O10 C104 73.8(11) . . . . ?
O30 Sr O10 C104 84.3(11) . . . . ?
N13 Sr O10 C104 -48.6(12) . . . . ?
N23 Sr O10 C104 -140.1(11) . . . . ?
P21 Sr O10 C104 166.5(11) . . . . ?
P11 Sr O10 C104 -5.0(11) . . . . ?
C12 Sr O10 C104 -32.1(11) . . . . ?
C22 Sr O10 C104 -162.1(11) . . . . ?
O20 Sr O10 C101 -100.1(9) . . . . ?
O30 Sr O10 C101 -89.6(7) . . . . ?
N13 Sr O10 C101 137.5(7) . . . . ?
N23 Sr O10 C101 46.0(7) . . . . ?
P21 Sr O10 C101 -7.4(7) . . . . ?
P11 Sr O10 C101 -178.9(7) . . . . ?
C12 Sr O10 C101 154.0(7) . . . . ?
C22 Sr O10 C101 24.0(7) . . . . ?
C104 O10 C101 C102 -31.1(14) . . . . ?
Sr O10 C101 C102 144.0(9) . . . . ?
O10 C101 C102 C103 23.2(14) . . . . ?
C101 C102 C103 C104 -7.1(17) . . . . ?
C101 O10 C104 C103 28.3(17) . . . . ?
Sr O10 C104 C103 -146.4(9) . . . . ?
C102 C103 C104 O10 -12.2(19) . . . . ?
O10 Sr O20 C204 67.3(20) . . . . ?
O30 Sr O20 C204 56.8(18) . . . . ?
N13 Sr O20 C204 -158.6(19) . . . . ?
N23 Sr O20 C204 -69.9(18) . . . . ?
P21 Sr O20 C204 -27.3(18) . . . . ?
P11 Sr O20 C204 146.6(18) . . . . ?
C12 Sr O20 C204 179.9(19) . . . . ?
C22 Sr O20 C204 -50.4(18) . . . . ?
O10 Sr O20 C20A 101.6(20) . . . . ?
O30 Sr O20 C20A 91.2(18) . . . . ?
N13 Sr O20 C20A -124.3(19) . . . . ?
N23 Sr O20 C20A -35.6(19) . . . . ?
P21 Sr O20 C20A 7.0(19) . . . . ?
P11 Sr O20 C20A -179.1(19) . . . . ?
C12 Sr O20 C20A -145.8(19) . . . . ?
C22 Sr O20 C20A -16.0(19) . . . . ?
O10 Sr O20 C201 -89.3(11) . . . . ?
O30 Sr O20 C201 -99.8(11) . . . . ?
N13 Sr O20 C201 44.8(11) . . . . ?
N23 Sr O20 C201 133.5(11) . . . . ?
P21 Sr O20 C201 176.1(11) . . . . ?
P11 Sr O20 C201 -10.0(11) . . . . ?
C12 Sr O20 C201 23.3(11) . . . . ?
C22 Sr O20 C201 153.0(11) . . . . ?
C204 O20 C201 C202 -25.5(23) . . . . ?
C20A O20 C201 C202 -53.7(20) . . . . ?
Sr O20 C201 C202 134.5(11) . . . . ?
O20 C201 C202 C203 25.4(18) . . . . ?
C201 C202 C203 C204 -16.5(23) . . . . ?
C201 C202 C203 C20A 7.7(20) . . . . ?
C202 C203 C204 O20 1.8(29) . . . . ?
C20A C203 C204 O20 -78.7(44) . . . . ?
C20A O20 C204 C203 95.9(37) . . . . ?
C201 O20 C204 C203 14.6(28) . . . . ?
Sr O20 C204 C203 -145.8(15) . . . . ?
C204 O20 C20A C203 -52.3(29) . . . . ?
C201 O20 C20A C203 53.1(14) . . . . ?
Sr O20 C20A C203 -135.9(11) . . . . ?
C204 C203 C20A O20 68.0(48) . . . . ?
C202 C203 C20A O20 -37.7(17) . . . . ?
O20 Sr O30 C304 78.6(13) . . . . ?
O10 Sr O30 C304 -95.7(14) . . . . ?
N13 Sr O30 C304 27.0(15) . . . . ?
N23 Sr O30 C304 -156.6(13) . . . . ?
P21 Sr O30 C304 167.8(13) . . . . ?
P11 Sr O30 C304 -7.7(13) . . . . ?
C12 Sr O30 C304 5.7(14) . . . . ?
C22 Sr O30 C304 -173.9(13) . . . . ?
O20 Sr O30 C30A -122.1(17) . . . . ?
O10 Sr O30 C30A 63.6(16) . . . . ?
N13 Sr O30 C30A -173.8(16) . . . . ?
N23 Sr O30 C30A 2.6(17) . . . . ?
P21 Sr O30 C30A -33.0(16) . . . . ?
P11 Sr O30 C30A 151.6(16) . . . . ?
C12 Sr O30 C30A 165.0(16) . . . . ?
C22 Sr O30 C30A -14.6(17) . . . . ?
O20 Sr O30 C301 -83.2(13) . . . . ?
O10 Sr O30 C301 102.4(13) . . . . ?
N13 Sr O30 C301 -134.9(14) . . . . ?
N23 Sr O30 C301 41.5(14) . . . . ?
P21 Sr O30 C301 5.9(13) . . . . ?
P11 Sr O30 C301 -169.5(13) . . . . ?
C12 Sr O30 C301 -156.1(13) . . . . ?
C22 Sr O30 C301 24.2(13) . . . . ?
C304 O30 C301 C302 24.9(20) . . . . ?
C30A O30 C301 C302 -66.6(34) . . . . ?
Sr O30 C301 C302 -171.0(10) . . . . ?
O30 C301 C302 C303 -22.2(22) . . . . ?
C304 O30 C30A C30B 7.2(28) . . . . ?
C301 O30 C30A C30B 105.7(38) . . . . ?
Sr O30 C30A C30B -154.9(20) . . . . ?
O30 C30A C30B C303 -24.1(35) . . . . ?
C301 C302 C303 C304 12.2(24) . . . . ?
C301 C302 C303 C30B 93.3(35) . . . . ?
C30A C30B C303 C304 30.7(34) . . . . ?
C30A C30B C303 C302 -75.0(49) . . . . ?
C30A O30 C304 C303 13.9(22) . . . . ?
C301 O30 C304 C303 -18.5(22) . . . . ?
Sr O30 C304 C303 176.8(10) . . . . ?
C302 C303 C304 O30 3.5(23) . . . . ?
C30B C303 C304 O30 -26.9(28) . . . . ?
C014 O01 C011 C012 -10.0(24) . . . . ?
O01 C011 C012 C013 5.8(20) . . . . ?
C011 C012 C013 C014 -0.4(25) . . . . ?
C012 C013 C014 O01 -6.8(28) . . . . ?
C011 O01 C014 C013 10.8(27) . . . . ?
