#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:35:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179337 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/34/4323453.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_4323453
loop_
_publ_author_name
'Roland Fleischer'
'Dietmar Stalke'
_publ_contact_author             'Prof. Dr. Dietmar Stalke'
_publ_contact_author_email       dstalke@chemie.uni-wuerzburg.de
_publ_section_title
;
 Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be,
 Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from
 the Plane of an Anionic Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2413
_journal_page_last               2419
_journal_paper_doi               10.1021/ic9613117
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C44 H72 N4 O2 P2 Si4 Sr'
_chemical_formula_weight         950.98
_chemical_melting_point          155
_chemical_name_systematic
;
 Strontium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphinimid
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 92.829(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1950(10)
_cell_length_b                   24.929(3)
_cell_length_c                   18.388(2)
_cell_measurement_reflns_used    54
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      10
_cell_volume                     5125.5(9)
_computing_cell_refinement       DIF4
_computing_data_collection       DIF4
_computing_data_reduction        REDU4
_computing_molecular_graphics    SHELXTL-Plus
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measurement_device       STOE-AED
_diffrn_measurement_method       'profile-fitted on 2theta/omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoKa
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7174
_diffrn_reflns_theta_max         22.56
_diffrn_reflns_theta_min         4.06
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  90
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.245
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_description       blocks
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         .287
_refine_diff_density_min         -.303
_refine_diff_density_rms         .055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.033
_refine_ls_goodness_of_fit_obs   1.063
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         6697
_refine_ls_number_restraints     279
_refine_ls_restrained_S_all      1.232
_refine_ls_restrained_S_obs      1.049
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_obs          0.0346
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[s²(Fo²)+( 0.0307P)²+5.4717P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1003
_refine_ls_wR_factor_obs         0.0745
_reflns_number_observed          5218
_reflns_number_total             6701
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9613117_5.cif
_cod_data_source_block           sirnpn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/[s^2^(Fo^2^)+(
0.0307P)^2^+5.4717P] 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^)+( 0.0307P)^2^+5.4717P] where
P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4323453
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Sr1 Sr 0.45118(3) 0.162948(12) 0.25243(2) 0.01959(10) Uani 1 d . .
P1 P 0.53903(7) 0.28555(3) 0.24347(4) 0.0202(2) Uani 1 d . .
N1 N 0.4441(2) 0.26530(10) 0.29820(14) 0.0241(6) Uani 1 d . .
Si1 Si 0.37716(9) 0.29336(4) 0.36986(5) 0.0297(2) Uani 1 d . .
C1 C 0.2278(3) 0.2603(2) 0.3750(2) 0.0387(9) Uani 1 d . .
H1A H 0.1788(8) 0.2683(8) 0.3306(6) 0.058 Uiso 1 calc R .
H1B H 0.1877(9) 0.2739(7) 0.4175(7) 0.058 Uiso 1 calc R .
H1C H 0.2385(3) 0.2214(2) 0.3794(13) 0.058 Uiso 1 calc R .
C2 C 0.3453(4) 0.36711(15) 0.3650(2) 0.0518(11) Uani 1 d . .
H2A H 0.3107(22) 0.3788(3) 0.4103(6) 0.078 Uiso 1 calc R .
H2B H 0.2886(18) 0.3744(2) 0.3239(9) 0.078 Uiso 1 calc R .
H2C H 0.4198(5) 0.3867(2) 0.3584(14) 0.078 Uiso 1 calc R .
C3 C 0.4671(3) 0.2837(2) 0.4568(2) 0.0423(10) Uani 1 d . .
H3A H 0.4254(11) 0.3000(9) 0.4968(3) 0.063 Uiso 1 calc R .
H3B H 0.5455(9) 0.3007(8) 0.4531(5) 0.063 Uiso 1 calc R .
H3C H 0.4778(18) 0.2452(2) 0.4661(7) 0.063 Uiso 1 calc R .
N2 N 0.5616(2) 0.23951(10) 0.18604(13) 0.0215(6) Uani 1 d . .
Si2 Si 0.61138(8) 0.24220(4) 0.10012(5) 0.0247(2) Uani 1 d . .
C4 C 0.7577(3) 0.2776(2) 0.0937(2) 0.0383(9) Uani 1 d . .
H4A H 0.7469(5) 0.3160(2) 0.1031(12) 0.057 Uiso 1 calc R .
H4B H 0.7870(10) 0.2727(8) 0.0447(4) 0.057 Uiso 1 calc R .
H4C H 0.8159(7) 0.2627(6) 0.1297(9) 0.057 Uiso 1 calc R .
C5 C 0.6345(4) 0.17182(14) 0.0710(2) 0.0433(10) Uani 1 d . .
H5A H 0.6633(21) 0.17146(15) 0.0215(5) 0.065 Uiso 1 calc R .
H5B H 0.5586(6) 0.1522(3) 0.0717(13) 0.065 Uiso 1 calc R .
H5C H 0.6937(16) 0.1546(3) 0.1043(8) 0.065 Uiso 1 calc R .
C6 C 0.5033(3) 0.2746(2) 0.0335(2) 0.0379(9) Uani 1 d . .
H6A H 0.5367(9) 0.2748(8) -0.0148(3) 0.057 Uiso 1 calc R .
H6B H 0.4884(16) 0.3116(3) 0.0488(7) 0.057 Uiso 1 calc R .
H6C H 0.4280(8) 0.2545(5) 0.0314(9) 0.057 Uiso 1 calc R .
C7 C 0.4932(3) 0.34763(13) 0.1978(2) 0.0235(8) Uani 1 d . .
C8 C 0.3724(3) 0.35814(15) 0.1832(2) 0.0382(9) Uani 1 d . .
H8 H 0.3140(3) 0.33463(15) 0.2014(2) 0.046 Uiso 1 calc R .
C9 C 0.3364(4) 0.4024(2) 0.1427(2) 0.0542(12) Uani 1 d . .
H9 H 0.2536(4) 0.4098(2) 0.1342(2) 0.065 Uiso 1 calc R .
C10 C 0.4200(5) 0.4357(2) 0.1148(2) 0.0580(13) Uani 1 d . .
H10 H 0.3948(5) 0.4658(2) 0.0864(2) 0.070 Uiso 1 calc R .
C11 C 0.5399(4) 0.42590(15) 0.1276(2) 0.0491(12) Uani 1 d . .
H11 H 0.5975(4) 0.44891(15) 0.1077(2) 0.059 Uiso 1 calc R .
C12 C 0.5761(3) 0.38250(13) 0.1695(2) 0.0312(9) Uani 1 d . .
H12 H 0.6590(3) 0.37627(13) 0.1792(2) 0.037 Uiso 1 calc R .
C13 C 0.6779(3) 0.30496(13) 0.2918(2) 0.0238(8) Uani 1 d . .
C14 C 0.7777(3) 0.27205(14) 0.2914(2) 0.0311(8) Uani 1 d . .
H14 H 0.7758(3) 0.24083(14) 0.2617(2) 0.037 Uiso 1 calc R .
C15 C 0.8799(3) 0.2841(2) 0.3335(2) 0.0425(10) Uani 1 d . .
H15 H 0.9469(3) 0.2607(2) 0.3333(2) 0.051 Uiso 1 calc R .
C16 C 0.8853(4) 0.3295(2) 0.3756(2) 0.0444(10) Uani 1 d . .
H16 H 0.9558(4) 0.3378(2) 0.4042(2) 0.053 Uiso 1 calc R .
C17 C 0.7868(4) 0.3633(2) 0.3760(2) 0.0407(10) Uani 1 d . .
H17 H 0.7900(4) 0.3950(2) 0.4047(2) 0.049 Uiso 1 calc R .
C18 C 0.6847(3) 0.35096(14) 0.3349(2) 0.0326(9) Uani 1 d . .
H18 H 0.6175(3) 0.37419(14) 0.3359(2) 0.039 Uiso 1 calc R .
P2 P 0.59028(7) 0.05116(3) 0.24718(4) 0.0203(2) Uani 1 d . .
N3 N 0.4787(2) 0.06690(10) 0.19525(14) 0.0212(6) Uani 1 d . .
Si3 Si 0.38423(8) 0.03020(4) 0.13957(5) 0.0242(2) Uani 1 d . .
C19 C 0.2526(3) 0.0063(2) 0.1885(2) 0.0401(9) Uani 1 d . .
H19A H 0.2016(11) -0.0158(8) 0.1557(4) 0.060 Uiso 1 calc R .
H19B H 0.2069(12) 0.0373(2) 0.2047(11) 0.060 Uiso 1 calc R .
H19C H 0.2800(3) -0.0150(8) 0.2308(8) 0.060 Uiso 1 calc R .
C20 C 0.4489(3) -0.03115(15) 0.0981(2) 0.0376(9) Uani 1 d . .
H20A H 0.3915(9) -0.0459(5) 0.0614(9) 0.056 Uiso 1 calc R .
H20B H 0.4659(19) -0.0580(4) 0.1361(3) 0.056 Uiso 1 calc R .
H20C H 0.5231(11) -0.0217(2) 0.0751(11) 0.056 Uiso 1 calc R .
C21 C 0.3304(3) 0.07406(15) 0.0628(2) 0.0413(10) Uani 1 d . .
H21A H 0.2673(15) 0.0555(4) 0.0338(8) 0.062 Uiso 1 calc R .
H21B H 0.3970(6) 0.0823(8) 0.0320(8) 0.062 Uiso 1 calc R .
H21C H 0.2985(20) 0.1075(4) 0.0821(2) 0.062 Uiso 1 calc R .
N4 N 0.6221(2) 0.09953(10) 0.30092(13) 0.0208(6) Uani 1 d . .
Si4 Si 0.73632(8) 0.11374(4) 0.36160(5) 0.0246(2) Uani 1 d . .
C22 C 0.8782(3) 0.1309(2) 0.3170(2) 0.0406(10) Uani 1 d . .
H22A H 0.9158(11) 0.0979(2) 0.3002(11) 0.061 Uiso 1 calc R .
H22B H 0.9330(9) 0.1492(8) 0.3521(4) 0.061 Uiso 1 calc R .
H22C H 0.8602(4) 0.1545(8) 0.2753(8) 0.061 Uiso 1 calc R .
C23 C 0.7742(3) 0.0582(2) 0.4274(2) 0.0423(10) Uani 1 d . .
H23A H 0.8458(13) 0.0680(4) 0.4574(9) 0.063 Uiso 1 calc R .
H23B H 0.7895(21) 0.0252(3) 0.4005(2) 0.063 Uiso 1 calc R .
H23C H 0.7072(9) 0.0525(7) 0.4589(9) 0.063 Uiso 1 calc R .
C24 C 0.6919(3) 0.17195(14) 0.4180(2) 0.0347(9) Uani 1 d . .
H24A H 0.7622(5) 0.1857(6) 0.4458(9) 0.052 Uiso 1 calc R .
H24B H 0.6317(15) 0.1604(2) 0.4516(8) 0.052 Uiso 1 calc R .
H24C H 0.6584(18) 0.2003(4) 0.3861(2) 0.052 Uiso 1 calc R .
C25 C 0.5614(3) -0.00966(13) 0.2991(2) 0.0219(7) Uani 1 d . .
C26 C 0.5053(3) -0.00456(14) 0.3647(2) 0.0307(8) Uani 1 d . .
H26 H 0.4871(3) 0.03013(14) 0.3824(2) 0.037 Uiso 1 calc R .
C27 C 0.4759(3) -0.04934(15) 0.4042(2) 0.0386(9) Uani 1 d . .
H27 H 0.4375(3) -0.04528(15) 0.4488(2) 0.046 Uiso 1 calc R .
C28 C 0.5020(3) -0.09967(15) 0.3793(2) 0.0393(9) Uani 1 d . .
H28 H 0.4825(3) -0.13036(15) 0.4069(2) 0.047 Uiso 1 calc R .
C29 C 0.5562(3) -0.10570(14) 0.3146(2) 0.0375(9) Uani 1 d . .
H29 H 0.5731(3) -0.14053(14) 0.2968(2) 0.045 Uiso 1 calc R .
C30 C 0.5860(3) -0.06080(13) 0.2752(2) 0.0290(8) Uani 1 d . .
H30 H 0.6244(3) -0.06525(13) 0.2307(2) 0.035 Uiso 1 calc R .
C31 C 0.7184(3) 0.03157(12) 0.1952(2) 0.0231(8) Uani 1 d . .
C32 C 0.8192(3) 0.00762(14) 0.2292(2) 0.0302(8) Uani 1 d . .
H32 H 0.8194(3) -0.00064(14) 0.2797(2) 0.036 Uiso 1 calc R .
C33 C 0.9180(3) -0.00414(15) 0.1909(2) 0.0353(9) Uani 1 d . .
H33 H 0.9859(3) -0.02042(15) 0.2148(2) 0.042 Uiso 1 calc R .
C34 C 0.9186(3) 0.0077(2) 0.1175(2) 0.0403(10) Uani 1 d . .
H34 H 0.9872(3) -0.0001(2) 0.0910(2) 0.048 Uiso 1 calc R .
C35 C 0.8198(3) 0.0308(2) 0.0830(2) 0.0395(10) Uani 1 d . .
H35 H 0.8201(3) 0.0388(2) 0.0325(2) 0.047 Uiso 1 calc R .
C36 C 0.7202(3) 0.04240(13) 0.1213(2) 0.0282(8) Uani 1 d . .
H36 H 0.6521(3) 0.05800(13) 0.0968(2) 0.034 Uiso 1 calc R .
O1 O 0.3274(2) 0.12496(10) 0.36006(12) 0.0356(6) Uani 1 d DU .
C37 C 0.3672(3) 0.1256(2) 0.4354(2) 0.0390(9) Uani 1 d DU .
H37A H 0.3602(3) 0.1621(2) 0.4561(2) 0.047 Uiso 0.656(13) calc PR 1
H37B H 0.4515(3) 0.1138(2) 0.4414(2) 0.047 Uiso 0.656(13) calc PR 1
H37C H 0.3999(3) 0.1613(2) 0.4494(2) 0.047 Uiso 0.344(13) calc PR 2
H37D H 0.4297(3) 0.0982(2) 0.4454(2) 0.047 Uiso 0.344(13) calc PR 2
C38 C 0.2840(6) 0.0862(4) 0.4725(4) 0.042(2) Uani 0.656(13) d PDU 1
H38A H 0.3099(6) 0.0486(4) 0.4666(4) 0.051 Uiso 0.656(13) calc PR 1
H38B H 0.2786(6) 0.0943(4) 0.5250(4) 0.051 Uiso 0.656(13) calc PR 1
C39 C 0.1676(6) 0.0974(4) 0.4304(4) 0.044(2) Uani 0.656(13) d PDU 1
H39A H 0.1113(6) 0.0670(4) 0.4336(4) 0.053 Uiso 0.656(13) calc PR 1
H39B H 0.1291(6) 0.1304(4) 0.4481(4) 0.053 Uiso 0.656(13) calc PR 1
C40 C 0.2071(8) 0.1045(5) 0.3545(4) 0.056(3) Uani 0.656(13) d PDU 1
H40A H 0.2049(8) 0.0697(5) 0.3285(4) 0.067 Uiso 0.656(13) calc PR 1
H40B H 0.1538(8) 0.1300(5) 0.3274(4) 0.067 Uiso 0.656(13) calc PR 1
C38' C 0.2562(14) 0.1132(7) 0.4763(6) 0.040(4) Uani 0.344(13) d PDU 2
H38C H 0.2759(14) 0.1023(7) 0.5273(6) 0.048 Uiso 0.344(13) calc PR 2
H38D H 0.1995(14) 0.1438(7) 0.4756(6) 0.048 Uiso 0.344(13) calc PR 2
C39' C 0.2104(16) 0.0676(6) 0.4307(7) 0.046(4) Uani 0.344(13) d PDU 2
H39C H 0.2490(16) 0.0336(6) 0.4468(7) 0.055 Uiso 0.344(13) calc PR 2
H39D H 0.1228(16) 0.0639(6) 0.4338(7) 0.055 Uiso 0.344(13) calc PR 2
C40' C 0.2410(14) 0.0808(6) 0.3558(7) 0.037(4) Uani 0.344(13) d PDU 2
H40C H 0.2764(14) 0.0491(6) 0.3324(7) 0.045 Uiso 0.344(13) calc PR 2
H40D H 0.1684(14) 0.0916(6) 0.3266(7) 0.045 Uiso 0.344(13) calc PR 2
O2 O 0.2469(2) 0.17808(10) 0.18218(13) 0.0384(6) Uani 1 d DU .
C41 C 0.2403(3) 0.2226(2) 0.1329(2) 0.0435(10) Uani 1 d DU .
H41A H 0.2471(3) 0.2103(2) 0.0821(2) 0.052 Uiso 1 calc R .
H41B H 0.3052(3) 0.2486(2) 0.1448(2) 0.052 Uiso 1 calc R .
C42 C 0.1204(4) 0.2477(2) 0.1426(2) 0.0531(11) Uani 1 d DU .
H42A H 0.0876(4) 0.2635(2) 0.0965(2) 0.064 Uiso 1 calc R .
H42B H 0.1255(4) 0.2760(2) 0.1805(2) 0.064 Uiso 1 calc R .
C43 C 0.0454(4) 0.2012(2) 0.1659(3) 0.0611(13) Uani 1 d DU .
H43A H -0.0179(4) 0.2135(2) 0.1978(3) 0.073 Uiso 0.47(3) calc PR 3
H43B H 0.0076(4) 0.1826(2) 0.1231(3) 0.073 Uiso 0.47(3) calc PR 3
H43C H 0.0140(4) 0.2080(2) 0.2145(3) 0.073 Uiso 0.53(3) calc PR 4
H43D H -0.0228(4) 0.1952(2) 0.1306(3) 0.073 Uiso 0.53(3) calc PR 4
C44 C 0.1300(8) 0.1659(6) 0.2056(10) 0.040(3) Uani 0.47(3) d PDU 3
H44A H 0.1266(8) 0.1720(6) 0.2587(10) 0.048 Uiso 0.47(3) calc PR 3
H44B H 0.1100(8) 0.1279(6) 0.1952(10) 0.048 Uiso 0.47(3) calc PR 3
C44' C 0.1266(7) 0.1542(3) 0.1684(11) 0.038(3) Uani 0.53(3) d PDU 4
H44C H 0.1218(7) 0.1345(3) 0.1215(11) 0.046 Uiso 0.53(3) calc PR 4
H44D H 0.1070(7) 0.1293(3) 0.2080(11) 0.046 Uiso 0.53(3) calc PR 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .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
O2 Sr1 N4 150.68(8) . . yes
O2 Sr1 N2 94.99(8) . . yes
N4 Sr1 N2 104.30(8) . . yes
O2 Sr1 N3 92.92(8) . . yes
N4 Sr1 N3 59.18(8) . . yes
N2 Sr1 N3 114.20(8) . . yes
O2 Sr1 O1 86.73(8) . . yes
N4 Sr1 O1 85.98(8) . . yes
N2 Sr1 O1 152.76(8) . . yes
N3 Sr1 O1 92.81(8) . . yes
O2 Sr1 N1 88.79(8) . . yes
N4 Sr1 N1 120.09(8) . . yes
N2 Sr1 N1 58.30(8) . . yes
N3 Sr1 N1 172.45(8) . . yes
O1 Sr1 N1 94.63(7) . . yes
O2 Sr1 P2 122.00(6) . . ?
N4 Sr1 P2 29.60(6) . . ?
N2 Sr1 P2 112.38(6) . . ?
N3 Sr1 P2 29.58(6) . . ?
O1 Sr1 P2 89.11(5) . . ?
N1 Sr1 P2 149.18(6) . . ?
O2 Sr1 P1 95.76(6) . . ?
N4 Sr1 P1 111.89(6) . . ?
N2 Sr1 P1 29.34(6) . . ?
N3 Sr1 P1 143.08(6) . . ?
O1 Sr1 P1 123.43(6) . . ?
N1 Sr1 P1 29.37(6) . . ?
P2 Sr1 P1 132.54(2) . . yes
N1 P1 N2 109.05(14) . . yes
N1 P1 C13 111.03(14) . . ?
N2 P1 C13 110.92(15) . . ?
N1 P1 C7 112.41(15) . . ?
N2 P1 C7 110.96(14) . . ?
C13 P1 C7 102.36(14) . . ?
N1 P1 Sr1 56.48(10) . . ?
N2 P1 Sr1 53.61(9) . . ?
C13 P1 Sr1 118.94(10) . . ?
C7 P1 Sr1 138.62(11) . . ?
P1 N1 Si1 134.3(2) . . yes
P1 N1 Sr1 94.15(11) . . ?
Si1 N1 Sr1 130.89(13) . . ?
N1 Si1 C3 111.8(2) . . ?
N1 Si1 C1 106.69(15) . . ?
C3 Si1 C1 110.3(2) . . ?
N1 Si1 C2 117.2(2) . . ?
C3 Si1 C2 105.2(2) . . ?
C1 Si1 C2 105.4(2) . . ?
P1 N2 Si2 131.2(2) . . yes
P1 N2 Sr1 97.05(11) . . ?
Si2 N2 Sr1 130.34(13) . . ?
N2 Si2 C5 106.69(15) . . ?
N2 Si2 C6 113.32(15) . . ?
C5 Si2 C6 108.4(2) . . ?
N2 Si2 C4 113.92(15) . . ?
C5 Si2 C4 107.0(2) . . ?
C6 Si2 C4 107.2(2) . . ?
C8 C7 C12 118.1(3) . . ?
C8 C7 P1 119.9(3) . . ?
C12 C7 P1 121.7(3) . . ?
C9 C8 C7 120.6(4) . . ?
C10 C9 C8 120.0(4) . . ?
C9 C10 C11 120.6(4) . . ?
C10 C11 C12 119.6(4) . . ?
C11 C12 C7 121.1(4) . . ?
C14 C13 C18 118.0(3) . . ?
C14 C13 P1 120.6(3) . . ?
C18 C13 P1 121.2(3) . . ?
C15 C14 C13 120.9(3) . . ?
C16 C15 C14 120.5(4) . . ?
C15 C16 C17 119.4(3) . . ?
C18 C17 C16 120.1(4) . . ?
C17 C18 C13 121.2(4) . . ?
N3 P2 N4 109.45(14) . . yes
N3 P2 C25 111.42(14) . . ?
N4 P2 C25 110.17(14) . . ?
N3 P2 C31 111.50(14) . . ?
N4 P2 C31 111.75(14) . . ?
C25 P2 C31 102.42(14) . . ?
N3 P2 Sr1 55.34(9) . . ?
N4 P2 Sr1 54.11(9) . . ?
C25 P2 Sr1 127.45(11) . . ?
C31 P2 Sr1 130.12(11) . . ?
P2 N3 Si3 132.7(2) . . yes
P2 N3 Sr1 95.09(11) . . ?
Si3 N3 Sr1 130.25(13) . . ?
N3 Si3 C19 111.4(2) . . ?
N3 Si3 C21 107.99(15) . . ?
C19 Si3 C21 108.6(2) . . ?
N3 Si3 C20 116.32(14) . . ?
C19 Si3 C20 105.5(2) . . ?
C21 Si3 C20 106.7(2) . . ?
P2 N4 Si4 135.1(2) . . yes
P2 N4 Sr1 96.29(11) . . ?
Si4 N4 Sr1 128.09(13) . . ?
N4 Si4 C24 108.39(14) . . ?
N4 Si4 C23 114.3(2) . . ?
C24 Si4 C23 105.9(2) . . ?
N4 Si4 C22 112.9(2) . . ?
C24 Si4 C22 108.7(2) . . ?
C23 Si4 C22 106.4(2) . . ?
C30 C25 C26 117.7(3) . . ?
C30 C25 P2 123.8(3) . . ?
C26 C25 P2 118.4(2) . . ?
C27 C26 C25 120.8(3) . . ?
C28 C27 C26 120.2(3) . . ?
C29 C28 C27 120.1(3) . . ?
C28 C29 C30 119.6(3) . . ?
C25 C30 C29 121.6(3) . . ?
C36 C31 C32 118.2(3) . . ?
C36 C31 P2 120.7(2) . . ?
C32 C31 P2 121.1(3) . . ?
C33 C32 C31 120.9(3) . . ?
C32 C33 C34 120.0(3) . . ?
C35 C34 C33 119.9(3) . . ?
C34 C35 C36 120.3(3) . . ?
C35 C36 C31 120.8(3) . . ?
C37 O1 C40 108.6(4) . . ?
C37 O1 C40' 103.5(5) . . ?
C37 O1 Sr1 124.6(2) . . ?
C40 O1 Sr1 126.6(3) . . ?
C40' O1 Sr1 126.7(5) . . ?
O1 C37 C38' 104.7(6) . . ?
O1 C37 C38 104.8(4) . . ?
C39 C38 C37 100.4(5) . . ?
C40 C39 C38 102.3(5) . . ?
O1 C40 C39 107.1(5) . . ?
C39' C38' C37 98.2(9) . . ?
C40' C39' C38' 105.5(9) . . ?
O1 C40' C39' 107.5(8) . . ?
C44 O2 C41 109.6(4) . . ?
C41 O2 C44' 100.7(5) . . ?
C44 O2 Sr1 128.0(6) . . ?
C41 O2 Sr1 116.3(2) . . ?
C44' O2 Sr1 142.8(5) . . ?
O2 C41 C42 105.5(3) . . ?
C41 C42 C43 103.2(3) . . ?
C44 C43 C42 104.4(5) . . ?
C44' C43 C42 105.5(5) . . ?
O2 C44 C43 107.6(6) . . ?
C43 C44' O2 103.7(6) . . ?
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
Sr1 O2 2.598(2) . yes
Sr1 N4 2.605(2) . yes
Sr1 N2 2.610(2) . yes
Sr1 N3 2.639(3) . yes
Sr1 O1 2.647(2) . yes
Sr1 N1 2.689(3) . yes
Sr1 P2 3.1960(9) . yes
Sr1 P1 3.2173(9) . yes
P1 N1 1.582(3) . yes
P1 N2 1.588(3) . yes
P1 C13 1.818(3) . ?
P1 C7 1.823(3) . ?
N1 Si1 1.698(3) . ?
Si1 C3 1.862(4) . ?
Si1 C1 1.870(4) . ?
Si1 C2 1.874(4) . ?
N2 Si2 1.702(3) . ?
Si2 C5 1.856(4) . ?
Si2 C6 1.863(4) . ?
Si2 C4 1.870(4) . ?
C7 C8 1.390(5) . ?
C7 C12 1.391(5) . ?
C8 C9 1.381(5) . ?
C9 C10 1.369(6) . ?
C10 C11 1.373(6) . ?
C11 C12 1.377(5) . ?
C13 C14 1.386(5) . ?
C13 C18 1.394(5) . ?
C14 C15 1.384(5) . ?
C15 C16 1.371(5) . ?
C16 C17 1.387(5) . ?
C17 C18 1.374(5) . ?
P2 N3 1.584(3) . yes
P2 N4 1.588(3) . yes
P2 C25 1.829(3) . ?
P2 C31 1.829(3) . ?
N3 Si3 1.702(3) . ?
Si3 C19 1.861(4) . ?
Si3 C21 1.863(4) . ?
Si3 C20 1.870(3) . ?
N4 Si4 1.693(3) . ?
Si4 C24 1.865(3) . ?
Si4 C23 1.873(4) . ?
Si4 C22 1.873(4) . ?
C25 C30 1.380(4) . ?
C25 C26 1.392(5) . ?
C26 C27 1.381(5) . ?
C27 C28 1.372(5) . ?
C28 C29 1.370(5) . ?
C29 C30 1.382(5) . ?
C31 C36 1.386(5) . ?
C31 C32 1.398(5) . ?
C32 C33 1.372(5) . ?
C33 C34 1.382(5) . ?
C34 C35 1.374(5) . ?
C35 C36 1.378(5) . ?
O1 C37 1.434(4) . ?
O1 C40 1.438(8) . ?
O1 C40' 1.465(13) . ?
C37 C38' 1.517(12) . ?
C37 C38 1.537(8) . ?
C38 C39 1.509(10) . ?
C39 C40 1.495(9) . ?
C38' C39' 1.49(2) . ?
C39' C40' 1.473(15) . ?
O2 C44 1.430(10) . ?
O2 C41 1.433(4) . ?
O2 C44' 1.482(9) . ?
C41 C42 1.499(5) . ?
C42 C43 1.506(6) . ?
C43 C44 1.461(10) . ?
C43 C44' 1.484(9) . ?
