#------------------------------------------------------------------------------
#$Date: 2022-05-17 01:58:40 +0300 (Tue, 17 May 2022) $
#$Revision: 275463 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/02/7710271.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_7710271
loop_
_publ_author_name
'Westerhausen, Matthias'
'Schüler, Philipp'
'Krieck, Sven'
'Görls, Helmar'
'Liebing, Phil'
_publ_section_title
;
 Sterically shielded primary anilides of the alkaline-earth metals of the
 type (thf)nAe(NH-Ar*)2 (Ae = Mg, Ca, Sr, and Ba; Ar* = bulky aryl)
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01121B
_journal_year                    2022
_chemical_formula_moiety         'C74 H72 N2 O2 Sr'
_chemical_formula_sum            'C74 H72 N2 O2 Sr'
_chemical_formula_weight         1108.95
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-03-24 deposited with the CCDC.	2022-05-16 downloaded from the CCDC.
;
_cell_angle_alpha                99.627(5)
_cell_angle_beta                 108.743(6)
_cell_angle_gamma                104.168(6)
_cell_formula_units_Z            1
_cell_length_a                   9.7312(13)
_cell_length_b                   12.4502(15)
_cell_length_c                   13.6436(17)
_cell_measurement_reflns_used    18360
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.279
_cell_measurement_theta_min      1.751
_cell_volume                     1462.3(3)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2016)'
_computing_data_collection       'SAINT V8.40B (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2016)'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi + omega - scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0437
_diffrn_reflns_av_unetI/netI     0.0682
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18360
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_min         1.751
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         7228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0423P)²+0.3687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.1003
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5799
_reflns_number_total             7228
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01121b2.cif
_cod_data_source_block           bn00150_2d
_cod_database_code               7710271
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.822
_shelx_estimated_absorpt_t_max   0.892
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.500000 0.500000 0.500000 0.01815(9) Uani 1 2 d S . P . .
H1 H 0.530(3) 0.636(2) 0.6981(19) 0.032(7) Uiso 1 1 d . . . . .
O1 O 0.67782(17) 0.65771(13) 0.46070(12) 0.0268(3) Uani 1 1 d . . . . .
N1 N 0.47388(19) 0.64281(15) 0.63908(13) 0.0160(4) Uani 1 1 d . . . . .
C1 C 0.3958(2) 0.71424(16) 0.66218(14) 0.0117(4) Uani 1 1 d . . . . .
C2 C 0.3166(2) 0.76097(16) 0.58058(14) 0.0122(4) Uani 1 1 d . . . . .
C3 C 0.2413(2) 0.83724(16) 0.60358(14) 0.0133(4) Uani 1 1 d . . . . .
H3 H 0.190560 0.867249 0.548036 0.016 Uiso 1 1 calc R U . . .
C4 C 0.2373(2) 0.87165(17) 0.70515(14) 0.0140(4) Uani 1 1 d . . . . .
C5 C 0.3098(2) 0.82397(17) 0.78386(14) 0.0144(4) Uani 1 1 d . . . . .
H5 H 0.306377 0.844903 0.853071 0.017 Uiso 1 1 calc R U . . .
C6 C 0.3869(2) 0.74710(16) 0.76585(14) 0.0130(4) Uani 1 1 d . . . . .
C7 C 0.1571(2) 0.95580(19) 0.72936(16) 0.0208(5) Uani 1 1 d . . . . .
H7A H 0.232767 1.026979 0.780779 0.031 Uiso 1 1 calc R U . . .
H7B H 0.084060 0.922459 0.760192 0.031 Uiso 1 1 calc R U . . .
H7C H 0.102225 0.972746 0.662870 0.031 Uiso 1 1 calc R U . . .
C8 C 0.3277(2) 0.72964(16) 0.47075(14) 0.0127(4) Uani 1 1 d . . . . .
H8 H 0.438270 0.740475 0.484790 0.015 Uiso 1 1 calc R U . . .
C9 C 0.2398(2) 0.60491(17) 0.40532(14) 0.0141(4) Uani 1 1 d . . . . .
C10 C 0.2759(2) 0.55904(18) 0.31930(15) 0.0190(4) Uani 1 1 d . . . . .
H10 H 0.358184 0.604420 0.305752 0.023 Uiso 1 1 calc R U . . .
C11 C 0.1934(2) 0.44815(19) 0.25344(16) 0.0222(5) Uani 1 1 d . . . . .
H11 H 0.220605 0.418199 0.196232 0.027 Uiso 1 1 calc R U . . .
C12 C 0.0721(3) 0.38148(19) 0.27087(16) 0.0262(5) Uani 1 1 d . . . . .
H12 H 0.014698 0.306222 0.225273 0.031 Uiso 1 1 calc R U . . .
C13 C 0.0349(3) 0.4254(2) 0.35538(17) 0.0312(5) Uani 1 1 d . . . . .
H13 H -0.048954 0.380271 0.367551 0.037 Uiso 1 1 calc R U . . .
C14 C 0.1199(3) 0.53538(19) 0.42276(16) 0.0240(5) Uani 1 1 d . . . . .
H14 H 0.095182 0.563322 0.481917 0.029 Uiso 1 1 calc R U . . .
C15 C 0.2811(2) 0.80853(17) 0.40049(14) 0.0137(4) Uani 1 1 d . . . . .
C16 C 0.3916(2) 0.89752(17) 0.39290(14) 0.0156(4) Uani 1 1 d . . . . .
H16 H 0.496832 0.907356 0.429478 0.019 Uiso 1 1 calc R U . . .
C17 C 0.3509(2) 0.97310(18) 0.33233(15) 0.0197(4) Uani 1 1 d . . . . .
H17 H 0.428038 1.034457 0.328921 0.024 Uiso 1 1 calc R U . . .
C18 C 0.1983(2) 0.95812(18) 0.27756(15) 0.0207(4) Uani 1 1 d . . . . .
H18 H 0.169994 1.009829 0.237128 0.025 Uiso 1 1 calc R U . . .
C19 C 0.0857(2) 0.86711(18) 0.28162(15) 0.0184(4) Uani 1 1 d . . . . .
H19 H -0.019324 0.856142 0.243114 0.022 Uiso 1 1 calc R U . . .
C20 C 0.1267(2) 0.79250(18) 0.34172(14) 0.0160(4) Uani 1 1 d . . . . .
H20 H 0.049344 0.729823 0.343118 0.019 Uiso 1 1 calc R U . . .
C21 C 0.4581(2) 0.69244(17) 0.85364(14) 0.0153(4) Uani 1 1 d . . . . .
H21 H 0.423557 0.608064 0.818799 0.018 Uiso 1 1 calc R U . . .
C22 C 0.6336(2) 0.73144(17) 0.89996(14) 0.0164(4) Uani 1 1 d . . . . .
C23 C 0.7225(2) 0.82295(19) 0.87883(15) 0.0210(4) Uani 1 1 d . . . . .
H23 H 0.674168 0.863460 0.832757 0.025 Uiso 1 1 calc R U . . .
C24 C 0.8824(2) 0.8566(2) 0.92441(16) 0.0258(5) Uani 1 1 d . . . . .
H24 H 0.941745 0.919223 0.908754 0.031 Uiso 1 1 calc R U . . .
C25 C 0.9543(3) 0.7991(2) 0.99203(16) 0.0272(5) Uani 1 1 d . . . . .
H25 H 1.062953 0.821851 1.022927 0.033 Uiso 1 1 calc R U . . .
C26 C 0.8668(3) 0.7078(2) 1.01447(16) 0.0264(5) Uani 1 1 d . . . . .
H26 H 0.915731 0.668291 1.061334 0.032 Uiso 1 1 calc R U . . .
C27 C 0.7087(2) 0.67405(19) 0.96906(15) 0.0216(5) Uani 1 1 d . . . . .
H27 H 0.650053 0.611105 0.984828 0.026 Uiso 1 1 calc R U . . .
C28 C 0.4011(2) 0.70542(18) 0.94584(14) 0.0167(4) Uani 1 1 d . . . . .
C29 C 0.4667(2) 0.80641(19) 1.02979(15) 0.0220(5) Uani 1 1 d . . . . .
H29 H 0.547703 0.867180 1.029741 0.026 Uiso 1 1 calc R U . . .
C30 C 0.4145(3) 0.8187(2) 1.11311(16) 0.0253(5) Uani 1 1 d . . . . .
H30 H 0.458145 0.888476 1.168667 0.030 Uiso 1 1 calc R U . . .
C31 C 0.2996(3) 0.7299(2) 1.11574(17) 0.0258(5) Uani 1 1 d . . . . .
H31 H 0.265224 0.737962 1.173504 0.031 Uiso 1 1 calc R U . . .
C32 C 0.2350(3) 0.6294(2) 1.03370(18) 0.0282(5) Uani 1 1 d . . . . .
H32 H 0.156113 0.568045 1.035208 0.034 Uiso 1 1 calc R U . . .
C33 C 0.2849(2) 0.61763(19) 0.94873(17) 0.0221(5) Uani 1 1 d . . . . .
H33 H 0.238723 0.548555 0.892210 0.027 Uiso 1 1 calc R U . . .
C34 C 0.7747(3) 0.7718(2) 0.52810(19) 0.0338(6) Uani 1 1 d . . . . .
H34A H 0.872827 0.768719 0.577382 0.041 Uiso 1 1 calc R U . . .
H34B H 0.723208 0.804838 0.571496 0.041 Uiso 1 1 calc R U . . .
C35 C 0.8028(3) 0.8447(2) 0.4527(2) 0.0351(6) Uani 1 1 d . . . . .
H35A H 0.763086 0.910254 0.460728 0.042 Uiso 1 1 calc R U . . .
H35B H 0.913459 0.874516 0.467054 0.042 Uiso 1 1 calc R U . . .
C36 C 0.7154(3) 0.7619(2) 0.3411(2) 0.0386(6) Uani 1 1 d . . . . .
H36A H 0.612403 0.768839 0.308168 0.046 Uiso 1 1 calc R U . . .
H36B H 0.771970 0.775838 0.293295 0.046 Uiso 1 1 calc R U . . .
C37 C 0.7049(3) 0.6453(2) 0.3628(2) 0.0383(6) Uani 1 1 d . . . . .
H37A H 0.619323 0.583671 0.303791 0.046 Uiso 1 1 calc R U . . .
H37B H 0.801450 0.627803 0.371952 0.046 Uiso 1 1 calc R U . . .
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'
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
N1 Sr1 N1 180.0 2_666 . ?
N1 Sr1 O1 88.56(5) 2_666 . ?
N1 Sr1 O1 91.44(5) . . ?
N1 Sr1 O1 91.45(5) 2_666 2_666 ?
N1 Sr1 O1 88.56(5) . 2_666 ?
O1 Sr1 O1 180.00(6) . 2_666 ?
N1 Sr1 C10 91.46(5) 2_666 2_666 ?
N1 Sr1 C10 88.54(5) . 2_666 ?
O1 Sr1 C10 101.94(5) . 2_666 ?
O1 Sr1 C10 78.06(5) 2_666 2_666 ?
N1 Sr1 C10 88.54(5) 2_666 . ?
N1 Sr1 C10 91.46(5) . . ?
O1 Sr1 C10 78.06(5) . . ?
O1 Sr1 C10 101.94(5) 2_666 . ?
C10 Sr1 C10 180.0 2_666 . ?
N1 Sr1 C9 66.66(5) 2_666 2_666 ?
N1 Sr1 C9 113.34(5) . 2_666 ?
O1 Sr1 C9 92.61(5) . 2_666 ?
O1 Sr1 C9 87.39(5) 2_666 2_666 ?
C10 Sr1 C9 26.13(5) 2_666 2_666 ?
C10 Sr1 C9 153.87(5) . 2_666 ?
N1 Sr1 C9 113.34(5) 2_666 . ?
N1 Sr1 C9 66.66(5) . . ?
O1 Sr1 C9 87.39(5) . . ?
O1 Sr1 C9 92.61(5) 2_666 . ?
C10 Sr1 C9 153.87(5) 2_666 . ?
C10 Sr1 C9 26.13(5) . . ?
C9 Sr1 C9 180.0 2_666 . ?
N1 Sr1 H1 163.1(5) 2_666 . ?
N1 Sr1 H1 16.9(5) . . ?
O1 Sr1 H1 95.3(5) . . ?
O1 Sr1 H1 84.7(5) 2_666 . ?
C10 Sr1 H1 71.6(5) 2_666 . ?
C10 Sr1 H1 108.4(5) . . ?
C9 Sr1 H1 96.7(5) 2_666 . ?
C9 Sr1 H1 83.3(5) . . ?
C37 O1 C34 106.43(17) . . ?
C37 O1 Sr1 123.79(14) . . ?
C34 O1 Sr1 129.74(13) . . ?
C1 N1 Sr1 147.56(13) . . ?
C1 N1 H1 107.5(16) . . ?
Sr1 N1 H1 104.1(16) . . ?
N1 C1 C2 119.71(16) . . ?
N1 C1 C6 123.78(16) . . ?
C2 C1 C6 116.51(16) . . ?
C3 C2 C1 120.60(16) . . ?
C3 C2 C8 121.85(15) . . ?
C1 C2 C8 117.43(15) . . ?
C2 C3 C4 122.60(16) . . ?
C2 C3 H3 118.7 . . ?
C4 C3 H3 118.7 . . ?
C5 C4 C3 117.16(16) . . ?
C5 C4 C7 120.82(16) . . ?
C3 C4 C7 122.01(16) . . ?
C6 C5 C4 122.97(17) . . ?
C6 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
C5 C6 C1 120.09(16) . . ?
C5 C6 C21 120.91(16) . . ?
C1 C6 C21 118.96(15) . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C2 114.84(15) . . ?
C9 C8 C15 108.54(14) . . ?
C2 C8 C15 113.50(15) . . ?
C9 C8 H8 106.5 . . ?
C2 C8 H8 106.5 . . ?
C15 C8 H8 106.5 . . ?
C14 C9 C10 117.52(19) . . ?
C14 C9 C8 123.51(17) . . ?
C10 C9 C8 118.90(17) . . ?
C14 C9 Sr1 100.89(13) . . ?
C10 C9 Sr1 73.34(10) . . ?
C8 C9 Sr1 97.41(10) . . ?
C11 C10 C9 121.11(19) . . ?
C11 C10 Sr1 98.60(12) . . ?
C9 C10 Sr1 80.54(11) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
Sr1 C10 H10 90.9 . . ?
C12 C11 C10 120.30(19) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 119.3(2) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C12 C13 C14 120.3(2) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C9 C14 C13 121.41(19) . . ?
C9 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C16 C15 C20 118.31(17) . . ?
C16 C15 C8 120.43(16) . . ?
C20 C15 C8 121.25(17) . . ?
C15 C16 C17 121.18(18) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C18 C17 C16 119.69(19) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 119.92(18) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 120.13(18) . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C19 C20 C15 120.69(19) . . ?
C19 C20 H20 119.7 . . ?
C15 C20 H20 119.7 . . ?
C28 C21 C6 113.56(15) . . ?
C28 C21 C22 109.23(15) . . ?
C6 C21 C22 114.89(16) . . ?
C28 C21 H21 106.2 . . ?
C6 C21 H21 106.2 . . ?
C22 C21 H21 106.2 . . ?
C23 C22 C27 118.07(19) . . ?
C23 C22 C21 122.95(16) . . ?
C27 C22 C21 118.96(18) . . ?
C22 C23 C24 120.87(18) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C25 C24 C23 120.3(2) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 119.5(2) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
C27 C26 C25 120.39(19) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C22 120.9(2) . . ?
C26 C27 H27 119.5 . . ?
C22 C27 H27 119.5 . . ?
C33 C28 C29 118.51(18) . . ?
C33 C28 C21 120.98(18) . . ?
C29 C28 C21 120.50(19) . . ?
C30 C29 C28 120.6(2) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 120.4(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 119.46(19) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C31 C32 C33 120.4(2) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C28 C33 C32 120.7(2) . . ?
C28 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
O1 C34 C35 106.60(19) . . ?
O1 C34 H34A 110.4 . . ?
C35 C34 H34A 110.4 . . ?
O1 C34 H34B 110.4 . . ?
C35 C34 H34B 110.4 . . ?
H34A C34 H34B 108.6 . . ?
C36 C35 C34 104.0(2) . . ?
C36 C35 H35A 110.9 . . ?
C34 C35 H35A 110.9 . . ?
C36 C35 H35B 110.9 . . ?
C34 C35 H35B 110.9 . . ?
H35A C35 H35B 109.0 . . ?
C37 C36 C35 102.9(2) . . ?
C37 C36 H36A 111.2 . . ?
C35 C36 H36A 111.2 . . ?
C37 C36 H36B 111.2 . . ?
C35 C36 H36B 111.2 . . ?
H36A C36 H36B 109.1 . . ?
O1 C37 C36 103.15(19) . . ?
O1 C37 H37A 111.1 . . ?
C36 C37 H37A 111.1 . . ?
O1 C37 H37B 111.1 . . ?
C36 C37 H37B 111.1 . . ?
H37A C37 H37B 109.1 . . ?
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 N1 2.4958(16) 2_666 ?
Sr1 N1 2.4959(16) . ?
Sr1 O1 2.5343(15) . ?
Sr1 O1 2.5343(15) 2_666 ?
Sr1 C10 3.0510(19) 2_666 ?
Sr1 C10 3.0510(19) . ?
Sr1 C9 3.1414(18) 2_666 ?
Sr1 C9 3.1414(18) . ?
Sr1 H1 2.82(2) . ?
O1 C37 1.433(3) . ?
O1 C34 1.450(3) . ?
N1 C1 1.363(2) . ?
N1 H1 0.85(2) . ?
C1 C2 1.434(2) . ?
C1 C6 1.441(2) . ?
C2 C3 1.388(3) . ?
C2 C8 1.529(2) . ?
C3 C4 1.396(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.391(2) . ?
C4 C7 1.505(3) . ?
C5 C6 1.390(3) . ?
C5 H5 0.9500 . ?
C6 C21 1.532(2) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.528(3) . ?
C8 C15 1.531(2) . ?
C8 H8 1.0000 . ?
C9 C14 1.385(3) . ?
C9 C10 1.403(3) . ?
C10 C11 1.392(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.383(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C16 1.386(3) . ?
C15 C20 1.402(3) . ?
C16 C17 1.399(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.380(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C28 1.530(3) . ?
C21 C22 1.533(3) . ?
C21 H21 1.0000 . ?
C22 C23 1.385(3) . ?
C22 C27 1.404(3) . ?
C23 C24 1.398(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.380(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.385(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.383(3) . ?
C28 C29 1.399(3) . ?
C29 C30 1.387(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.381(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.381(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.393(3) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.525(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.522(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.516(4) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
