#------------------------------------------------------------------------------
#$Date: 2021-03-15 10:51:18 +0200 (Mon, 15 Mar 2021) $
#$Revision: 263039 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/10/1561017.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_1561017
loop_
_publ_author_name
'Xiong, Gang'
'Wang, Bin-bin'
'He, Yongke'
'you, Lixin'
'Ren, Baoyi'
'Sun, Yaguang'
_publ_section_title
;
 Syntheses, structures, and luminescence of a series of novel trimetallic
 coordination polymers constructed by Cu-I clusters and alkaline-carboxyl-
 alkaline-earth building units
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              393
_journal_page_last               401
_journal_paper_doi               10.1016/j.jssc.2018.06.026
_journal_volume                  265
_journal_year                    2018
_chemical_formula_moiety         'C36 H32.94 Cu2 I2 Li N7 O12 Sr2'
_chemical_formula_sum            'C36.01 H34 Cu2 I2 Li N7 O12 Sr2'
_chemical_formula_weight         1319.7771
_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     iterative
_cell_angle_alpha                107.554(9)
_cell_angle_beta                 90.384(5)
_cell_angle_gamma                101.987(10)
_cell_formula_units_Z            2
_cell_length_a                   11.212(7)
_cell_length_b                   15.162(10)
_cell_length_c                   15.356(10)
_cell_measurement_reflns_used    5143
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2428(3)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r1 (Rigaku, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      293
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 13.6612
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_details
;
scan:
	Number of images: 180
	           Slice: -60.0000 - 120.0000
	     Image width: 1.0000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 0.0000
	             XTD: 50.1433
	          2theta: 29.9167
scan:
	Number of images: 180
	           Slice: -60.0000 - 120.0000
	     Image width: 1.0000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 120.0000
	             XTD: 50.1433
	          2theta: 29.9167
scan:
	Number of images: 180
	           Slice: -60.0000 - 120.0000
	     Image width: 1.0000
	        Exp time: 20.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	             Chi: 54.0000
	             Phi: 240.0000
	             XTD: 50.1433
	          2theta: 29.9167
;
_diffrn_measurement_device
;
XtaLABmini: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'Rigaku Mercury375R (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.031292
_diffrn_orient_matrix_UB_12      0.080399
_diffrn_orient_matrix_UB_13      0.030283
_diffrn_orient_matrix_UB_21      -0.046845
_diffrn_orient_matrix_UB_22      0.018333
_diffrn_orient_matrix_UB_23      -0.049984
_diffrn_orient_matrix_UB_31      -0.061192
_diffrn_orient_matrix_UB_32      -0.024856
_diffrn_orient_matrix_UB_33      0.018132
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1712
_diffrn_reflns_av_unetI/netI     0.1610
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20100
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         3.047
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           12.0
_diffrn_source_power             0.6
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    4.381
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.805
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.287
_refine_diff_density_min         -1.371
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         8457
_refine_ls_number_restraints     488
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1228
_refine_ls_R_factor_gt           0.0866
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0708P)²+15.1420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2010
_refine_ls_wR_factor_ref         0.2328
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5671
_reflns_number_total             8457
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_database_code               1561017
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O12-C33
 1.3 with sigma of 0.01
 N6-O12
 2.3 with sigma of 0.01
 O11-H11A
 0.85 with sigma of 0.01
 C34-O12
 2.8 with sigma of 0.01
 N6-C35
 1.5 with sigma of 0.01
 C25-H11A
 1.906477 with sigma of 0.02
 Sr2-H11A
 3.345484 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C13 \\sim O6 \\sim O5 \\sim C14 \\sim C15 \\sim C16 \\sim N3 \\sim C17 \\sim
C18: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.01
C37 \\sim C38 \\sim C36 \\sim N7 \\sim O13: within 3.8A with sigma of 0.01 and
sigma for terminal atoms of 0.01
C32 \\sim C31 \\sim C29 \\sim C30 \\sim N4 \\sim C28 \\sim C27 \\sim C26:
within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.01
C35 \\sim C34 \\sim N6 \\sim C33 \\sim O12: within 3.8A with sigma of 0.01 and
sigma for terminal atoms of 0.01
Uanis(N6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O12) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C34) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C31) = Uanis(C32)
Uanis(O10) = Uanis(O11)
4. Others
 1*[Sof(C30)]+1*[Sof(C29)]=1 with esd of 0.01
 Sof(C32)=Sof(H32)=1-FVAR(3)
 Sof(C31)=FVAR(3)
 Sof(O11)=Sof(H11A)=1-FVAR(4)
 Sof(O10)=FVAR(4)
5.a Riding coordinates:
 C35(H35A,H35B,H35C), C34(H34A,H34B,H34C)
5.b Ternary CH refined with riding coordinates:
 C32(H32)
5.c Aromatic/amide H refined with riding coordinates:
 C24(H24), C12(H12), C3(H3), C5(H5), C6(H6), C27(H27), C21(H21), C22(H22),
 C10(H10), C11(H11), C4(H4), C9(H9), C23(H23), C15(H15), C16(H16), C17(H17),
 C18(H18), C36(H36), C28(H28), C33(H33)
5.d Fitted hexagon refined as free rotating group:
 C14(C15,C16,N3,C17,C18)
5.e Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C), C38(H38A,H38B,H38C)
;
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
I1 I 0.86723(8) 1.38545(6) 2.04434(6) 0.0492(3) Uani 1 1 d . . . . .
I2 I 0.09488(10) 1.15381(6) 1.05186(7) 0.0581(3) Uani 1 1 d . . . . .
Sr2 Sr 0.49708(11) 1.36541(8) 1.40585(8) 0.0391(3) Uani 1 1 d D . . . .
Cu1 Cu 0.90910(15) 1.54036(11) 1.98771(10) 0.0458(4) Uani 1 1 d . . . . .
Cu2 Cu 0.10940(17) 0.97333(12) 1.01775(11) 0.0508(4) Uani 1 1 d . . . . .
O4 O 0.5934(7) 1.0754(6) 1.3847(5) 0.0386(19) Uani 1 1 d . . . . .
O7 O 0.3332(7) 1.0091(5) 1.4604(5) 0.0373(18) Uani 1 1 d . . . . .
O8 O 0.3587(10) 0.8629(7) 1.3843(6) 0.055(2) Uani 1 1 d . . . . .
O2 O 0.5976(8) 1.3346(6) 1.5493(6) 0.045(2) Uani 1 1 d . . . . .
N1 N 0.8064(10) 1.5002(7) 1.8650(7) 0.046(3) Uani 1 1 d . . . . .
O3 O 0.5426(9) 1.2000(6) 1.3579(6) 0.048(2) Uani 1 1 d . . . . .
N5 N 0.1810(10) 0.9612(8) 1.1369(6) 0.045(3) Uani 1 1 d . . . . .
C7 C 0.5890(11) 1.1293(9) 1.3353(8) 0.039(3) Uani 1 1 d . . . . .
O1 O 0.5595(8) 1.4785(6) 1.5795(6) 0.047(2) Uani 1 1 d . . . . .
O9 O 0.3310(7) 1.2515(7) 1.4790(7) 0.054(2) Uani 1 1 d . . . . .
C19 C 0.3279(11) 0.9380(9) 1.3886(8) 0.040(3) Uani 1 1 d . . . . .
N2 N 0.7799(11) 1.0587(8) 1.0901(7) 0.054(3) Uani 1 1 d . . . . .
C24 C 0.2728(17) 0.8778(10) 1.2188(9) 0.066(5) Uani 1 1 d . . . . .
H24 H 0.305402 0.825460 1.215844 0.079 Uiso 1 1 calc R . . . .
C1 C 0.6073(11) 1.4197(9) 1.6032(9) 0.040(3) Uani 1 1 d . . . . .
C8 C 0.6473(12) 1.1039(8) 1.2463(8) 0.037(3) Uani 1 1 d . . . . .
C12 C 0.6608(13) 1.0107(8) 1.2019(8) 0.046(3) Uani 1 1 d . . . . .
H12 H 0.625307 0.961533 1.224266 0.056 Uiso 1 1 calc R . . . .
C3 C 0.6947(16) 1.3832(9) 1.7362(10) 0.065(5) Uani 1 1 d . . . . .
H3 H 0.667851 1.318898 1.705049 0.078 Uiso 1 1 calc R . . . .
C5 C 0.7921(14) 1.5628(8) 1.8219(10) 0.057(4) Uani 1 1 d . . . . .
H5 H 0.828224 1.626301 1.850759 0.068 Uiso 1 1 calc R . . . .
C20 C 0.2759(11) 0.9464(8) 1.3004(8) 0.037(3) Uani 1 1 d . . . . .
C2 C 0.6744(10) 1.4470(8) 1.6946(8) 0.036(3) Uani 1 1 d . . . . .
O6 O 0.2396(14) 1.0881(10) 1.6550(9) 0.093(3) Uani 1 1 d . U . . .
C6 C 0.7297(13) 1.5410(9) 1.7403(9) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.723550 1.588368 1.714772 0.057 Uiso 1 1 calc R . . . .
C27 C 0.0879(13) 1.1652(14) 1.5025(13) 0.076(3) Uani 1 1 d . U . . .
H27 H 0.149079 1.159509 1.540433 0.091 Uiso 1 1 calc R . . . .
C21 C 0.234(2) 1.0246(11) 1.2988(10) 0.081(6) Uani 1 1 d . . . . .
H21 H 0.236419 1.074568 1.352306 0.098 Uiso 1 1 calc R . . . .
C22 C 0.187(2) 1.0285(14) 1.2181(11) 0.091(7) Uani 1 1 d . . . . .
H22 H 0.158152 1.081860 1.219359 0.109 Uiso 1 1 calc R . . . .
C25 C 0.2460(15) 1.2690(10) 1.4431(13) 0.067(5) Uani 1 1 d D . . . .
C10 C 0.7629(16) 1.1461(11) 1.1272(10) 0.064(4) Uani 1 1 d . . . . .
H10 H 0.794533 1.191389 1.099049 0.077 Uiso 1 1 calc R . . . .
C26 C 0.1169(13) 1.2161(13) 1.4471(13) 0.073(3) Uani 1 1 d . U . . .
O13 O 0.7096(15) 1.4343(13) 1.3805(14) 0.140(5) Uani 1 1 d . U . . .
C11 C 0.7268(15) 0.9924(11) 1.1251(9) 0.061(4) Uani 1 1 d . . . . .
H11 H 0.734031 0.930344 1.096834 0.073 Uiso 1 1 calc R . . . .
Li1 Li 0.2861(17) 0.9849(14) 1.5756(14) 0.037(5) Uani 1 1 d . . . . .
C4 C 0.7520(17) 1.4092(10) 1.8204(11) 0.066(5) Uani 1 1 d . . . . .
H4 H 0.754038 1.363067 1.848506 0.079 Uiso 1 1 calc R . . . .
C9 C 0.6997(14) 1.1746(10) 1.2070(10) 0.056(4) Uani 1 1 d . . . . .
H9 H 0.693130 1.237187 1.232388 0.068 Uiso 1 1 calc R . . . .
C23 C 0.2218(16) 0.8858(10) 1.1407(9) 0.063(4) Uani 1 1 d . . . . .
H23 H 0.215381 0.835369 1.087007 0.075 Uiso 1 1 calc R . . . .
N4 N -0.1186(11) 1.1201(12) 1.4524(12) 0.081(3) Uani 1 1 d . U . . .
N7 N 0.879(2) 1.5173(17) 1.3432(18) 0.141(5) Uani 1 1 d . U . . .
O11 O 0.268(3) 1.296(3) 1.359(4) 0.084(9) Uani 0.41(3) 1 d D . P A 2
H11A H 0.200(2) 1.299(11) 1.338(7) 0.126 Uiso 0.41(3) 1 d DR . P A 2
C32 C 0.034(3) 1.201(3) 1.367(3) 0.078(3) Uani 0.53(3) 1 d . U P B 2
H32 H 0.053308 1.230752 1.319056 0.093 Uiso 0.53(3) 1 calc R . P B 2
C14 C 0.2519(11) 1.2386(8) 1.7711(7) 0.082(3) Uani 1 1 d . U . . .
C15 C 0.3199(9) 1.3295(8) 1.8150(8) 0.090(3) Uani 1 1 d G U . . .
H15 H 0.397396 1.349400 1.797148 0.109 Uiso 1 1 calc R . . . .
C16 C 0.2720(10) 1.3908(7) 1.8855(7) 0.090(3) Uani 1 1 d G U . . .
H16 H 0.317488 1.451669 1.914864 0.108 Uiso 1 1 calc R . . . .
N3 N 0.1562(10) 1.3611(7) 1.9122(6) 0.075(3) Uani 1 1 d G U . . .
C17 C 0.0882(8) 1.2702(8) 1.8683(7) 0.083(3) Uani 1 1 d G U . . .
H17 H 0.010722 1.250350 1.886133 0.100 Uiso 1 1 calc R . . . .
C18 C 0.1361(10) 1.2089(6) 1.7978(7) 0.086(3) Uani 1 1 d G U . . .
H18 H 0.090628 1.148079 1.768416 0.103 Uiso 1 1 calc R . . . .
C36 C 0.768(2) 1.500(2) 1.356(2) 0.145(5) Uani 1 1 d . U . . .
H36 H 0.724063 1.542785 1.347198 0.174 Uiso 1 1 calc R . . . .
C28 C -0.0318(13) 1.1196(14) 1.5057(13) 0.078(3) Uani 1 1 d . U . . .
H28 H -0.049259 1.087383 1.548531 0.093 Uiso 1 1 calc R . . . .
O5 O 0.4030(14) 1.2029(11) 1.6725(9) 0.102(3) Uani 1 1 d . U . . .
C13 C 0.306(2) 1.1756(16) 1.6942(13) 0.085(3) Uani 1 1 d . U . . .
Sr1 Sr 0.48262(9) 1.16780(7) 1.52116(7) 0.0294(3) Uani 1 1 d . . . . .
C37 C 0.954(2) 1.589(2) 1.314(2) 0.147(5) Uani 1 1 d . U . . .
H37A H 0.905841 1.607929 1.273808 0.221 Uiso 1 1 calc GR . . . .
H37B H 1.019325 1.564828 1.282315 0.221 Uiso 1 1 calc GR . . . .
H37C H 0.986786 1.642551 1.366456 0.221 Uiso 1 1 calc GR . . . .
C38 C 0.938(2) 1.443(2) 1.346(2) 0.150(5) Uani 1 1 d . U . . .
H38A H 0.898198 1.410254 1.386235 0.225 Uiso 1 1 calc GR . . . .
H38B H 1.022439 1.469589 1.368414 0.225 Uiso 1 1 calc GR . . . .
H38C H 0.934542 1.398884 1.285670 0.225 Uiso 1 1 calc GR . . . .
C30 C -0.081(3) 1.139(3) 1.369(3) 0.078(3) Uani 0.48(3) 1 d . U P . .
C29 C -0.102(3) 1.202(3) 1.425(3) 0.077(3) Uani 0.53(3) 1 d . U P B .
N6 N 0.484(3) 1.290(3) 1.0936(17) 0.210(7) Uani 1 1 d D U . . .
O12 O 0.481(3) 1.335(2) 1.2490(17) 0.212(7) Uani 1 1 d D U . . .
C33 C 0.460(4) 1.276(2) 1.165(2) 0.215(7) Uani 1 1 d D U . . .
H33 H 0.422140 1.213758 1.160749 0.257 Uiso 1 1 calc R . . . .
C35 C 0.482(4) 1.217(2) 1.003(2) 0.216(7) Uani 1 1 d D U . . .
H35A H 0.465676 1.155164 1.011264 0.325 Uiso 1 1 d R . . . .
H35B H 0.559236 1.228204 0.977834 0.325 Uiso 1 1 d R . . . .
H35C H 0.418436 1.219764 0.962354 0.325 Uiso 1 1 d R . . . .
C34 C 0.499(4) 1.383(3) 1.087(2) 0.217(7) Uani 1 1 d D U . . .
H34A H 0.420251 1.396665 1.080691 0.326 Uiso 1 1 d R . . . .
H34B H 0.543171 1.386734 1.034611 0.326 Uiso 1 1 d R . . . .
H34C H 0.543831 1.427634 1.141382 0.326 Uiso 1 1 d R . . . .
C31 C 0.013(3) 1.254(3) 1.427(4) 0.078(3) Uani 0.47(3) 1 d . U P B 1
O10 O 0.260(2) 1.338(2) 1.417(3) 0.084(9) Uani 0.59(3) 1 d . . P A 1
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cu1 I1 Cu1 59.88(6) 2_789 .
Cu2 I2 Cu2 64.54(8) 2_577 .
O2 Sr2 O1 48.9(2) . .
O2 Sr2 O9 68.2(3) . .
O2 Sr2 C1 24.7(3) . .
O2 Sr2 C25 90.5(4) . .
O2 Sr2 Sr1 39.46(18) . .
O3 Sr2 O2 70.1(3) . .
O3 Sr2 O1 119.0(3) . .
O3 Sr2 O9 71.6(3) . .
O3 Sr2 C1 94.7(3) . .
O3 Sr2 C25 85.6(3) . .
O3 Sr2 O11 91.2(11) . .
O3 Sr2 Sr1 44.95(19) . .
O3 Sr2 O10 105.1(7) . .
O1 Sr2 O2 121.0(3) 2_688 .
O1 Sr2 O3 168.8(3) 2_688 .
O1 Sr2 O1 72.1(3) 2_688 .
O1 Sr2 O9 112.4(3) 2_688 .
O1 Sr2 O9 86.3(3) . .
O1 Sr2 C1 24.3(3) . .
O1 Sr2 C1 96.4(3) 2_688 .
O1 Sr2 C25 95.7(4) . .
O1 Sr2 C25 94.9(3) 2_688 .
O1 Sr2 O11 84.0(10) 2_688 .
O1 Sr2 Sr1 144.2(2) 2_688 .
O1 Sr2 Sr1 82.03(18) . .
O1 Sr2 O10 73.4(7) 2_688 .
O9 Sr2 C1 77.9(3) . .
O9 Sr2 C25 23.5(3) . .
O9 Sr2 Sr1 39.95(18) . .
C1 Sr2 Sr1 61.0(2) . .
C25 Sr2 C1 95.2(4) . .
C25 Sr2 Sr1 62.9(3) . .
O13 Sr2 O2 85.3(5) . .
O13 Sr2 O3 90.3(5) . .
O13 Sr2 O1 89.6(5) . 2_688
O13 Sr2 O1 83.6(5) . .
O13 Sr2 O9 151.6(5) . .
O13 Sr2 C1 82.1(5) . .
O13 Sr2 C25 174.9(5) . .
O13 Sr2 O11 154.3(12) . .
O13 Sr2 Sr1 112.1(4) . .
O13 Sr2 O10 161.9(7) . .
O11 Sr2 O2 119.2(10) . .
O11 Sr2 O1 117.5(13) . .
O11 Sr2 O9 51.0(10) . .
O11 Sr2 C1 123.3(12) . .
O11 Sr2 C25 29.2(11) . .
O11 Sr2 Sr1 86.5(9) . .
O12 Sr2 O2 147.6(7) . .
O12 Sr2 O3 81.5(7) . .
O12 Sr2 O1 87.5(7) . 2_688
O12 Sr2 O1 153.7(7) . .
O12 Sr2 O9 117.5(8) . .
O12 Sr2 C1 161.3(8) . .
O12 Sr2 C25 102.7(8) . .
O12 Sr2 O13 79.6(9) . .
O12 Sr2 O11 75.3(14) . .
O12 Sr2 Sr1 123.1(7) . .
O12 Sr2 O10 93.0(11) . .
O10 Sr2 O2 108.7(7) . .
O10 Sr2 O1 96.8(9) . .
O10 Sr2 O9 46.0(6) . .
O10 Sr2 C1 105.6(8) . .
O10 Sr2 C25 23.2(6) . .
O10 Sr2 Sr1 85.9(5) . .
I1 Cu1 I1 120.12(6) 2_789 .
I1 Cu1 Cu1 61.10(8) 2_789 2_789
Cu1 Cu1 I1 59.02(7) 2_789 .
N1 Cu1 I1 105.8(3) . 2_789
N1 Cu1 I1 105.3(3) . .
N1 Cu1 Cu1 122.5(3) . 2_789
N3 Cu1 I1 109.9(7) 2_689 2_789
N3 Cu1 I1 103.9(16) 2_689 .
N3 Cu1 Cu1 125.5(12) 2_689 2_789
N3 Cu1 N1 111.8(12) 2_689 .
I2 Cu2 I2 115.46(8) 2_577 .
I2 Cu2 Cu2 58.11(8) 2_577 2_577
I2 Cu2 Cu2 57.36(6) . 2_577
N5 Cu2 I2 113.4(3) . 2_577
N5 Cu2 I2 107.1(3) . .
N5 Cu2 Cu2 130.3(3) . 2_577
N5 Cu2 N2 112.5(5) . 2_677
N2 Cu2 I2 100.6(4) 2_677 2_577
N2 Cu2 I2 107.7(3) 2_677 .
N2 Cu2 Cu2 117.2(4) 2_677 2_577
C7 O4 Li1 137.9(9) . 2_678
C7 O4 Sr1 96.2(7) . .
Li1 O4 Sr1 112.9(7) 2_678 .
C19 O7 Li1 118.4(9) . .
C19 O7 Sr1 132.8(7) . .
Li1 O7 Sr1 100.7(7) . .
C19 O8 Sr1 130.1(9) . 2_678
C1 O2 Sr2 95.1(7) . .
C1 O2 Sr1 142.5(8) . .
Sr1 O2 Sr2 97.6(3) . .
C5 N1 Cu1 122.1(9) . .
C5 N1 C4 115.0(11) . .
C4 N1 Cu1 122.8(8) . .
Sr2 O3 Sr1 94.2(3) . .
C7 O3 Sr2 167.1(9) . .
C7 O3 Sr1 90.8(7) . .
C22 N5 Cu2 122.3(9) . .
C23 N5 Cu2 123.5(9) . .
C23 N5 C22 114.1(11) . .
O4 C7 C8 115.5(11) . .
O4 C7 Sr1 59.1(5) . .
O3 C7 O4 124.1(11) . .
O3 C7 C8 120.4(11) . .
O3 C7 Sr1 65.0(6) . .
C8 C7 Sr1 174.5(9) . .
Sr2 O1 Sr2 107.9(3) 2_688 .
C1 O1 Sr2 94.6(8) . .
C1 O1 Sr2 157.2(8) . 2_688
C25 O9 Sr2 91.5(10) . .
C25 O9 Sr1 163.1(10) . .
Sr1 O9 Sr2 95.3(3) . .
O7 C19 C20 116.2(11) . .
O8 C19 O7 126.6(11) . .
O8 C19 C20 117.2(11) . .
C10 N2 Cu2 121.6(9) . 2_677
C11 N2 Cu2 120.2(9) . 2_677
C11 N2 C10 118.2(11) . .
C20 C24 H24 119.9 . .
C20 C24 C23 120.2(13) . .
C23 C24 H24 119.9 . .
O2 C1 Sr2 60.2(6) . .
O2 C1 C2 118.4(10) . .
O1 C1 Sr2 61.1(7) . .
O1 C1 O2 120.8(11) . .
O1 C1 C2 120.8(11) . .
C2 C1 Sr2 173.6(8) . .
C12 C8 C7 122.1(10) . .
C9 C8 C7 120.6(11) . .
C9 C8 C12 117.1(11) . .
C8 C12 H12 119.9 . .
C11 C12 C8 120.1(12) . .
C11 C12 H12 119.9 . .
C2 C3 H3 118.5 . .
C4 C3 H3 118.5 . .
C4 C3 C2 122.9(13) . .
N1 C5 H5 117.4 . .
N1 C5 C6 125.2(12) . .
C6 C5 H5 117.4 . .
C24 C20 C19 121.4(11) . .
C24 C20 C21 116.8(12) . .
C21 C20 C19 121.8(11) . .
C3 C2 C1 123.7(11) . .
C3 C2 C6 115.1(11) . .
C6 C2 C1 121.0(10) . .
C13 O6 Li1 128.8(14) . .
C5 C6 C2 119.4(11) . .
C5 C6 H6 120.3 . .
C2 C6 H6 120.3 . .
C26 C27 H27 119.3 . .
C26 C27 C28 121.4(15) . .
C28 C27 H27 119.3 . .
C20 C21 H21 120.3 . .
C22 C21 C20 119.5(13) . .
C22 C21 H21 120.3 . .
N5 C22 C21 125.1(14) . .
N5 C22 H22 117.5 . .
C21 C22 H22 117.5 . .
O9 C25 Sr2 65.0(9) . .
O9 C25 C26 119.9(14) . .
O9 C25 O11 117(2) . .
C26 C25 Sr2 171.9(13) . .
O11 C25 Sr2 57.7(15) . .
O11 C25 C26 114.8(18) . .
O10 C25 Sr2 58.8(15) . .
O10 C25 O9 120.9(18) . .
O10 C25 C26 118.3(17) . .
N2 C10 H10 117.9 . .
N2 C10 C9 124.2(12) . .
C9 C10 H10 117.9 . .
C27 C26 C25 123.1(13) . .
C27 C26 C32 119.6(19) . .
C27 C26 C31 111(2) . .
C32 C26 C25 114.8(18) . .
C31 C26 C25 119.7(19) . .
C36 O13 Sr2 140(2) . .
N2 C11 C12 123.0(14) . .
N2 C11 H11 118.5 . .
C12 C11 H11 118.5 . .
O4 Li1 N4 104.7(9) 2_678 2_578
O4 Li1 Sr1 99.8(7) 2_678 .
O4 Li1 Sr1 39.0(4) 2_678 2_678
O7 Li1 O4 108.7(9) . 2_678
O7 Li1 N4 108.2(11) . 2_578
O7 Li1 Sr1 45.6(4) . .
O7 Li1 Sr1 73.3(6) . 2_678
O6 Li1 O4 121.4(12) . 2_678
O6 Li1 O7 111.0(10) . .
O6 Li1 N4 101.7(10) . 2_578
O6 Li1 Sr1 153.7(11) . 2_678
O6 Li1 Sr1 80.1(7) . .
N4 Li1 Sr1 149.6(9) 2_578 .
N4 Li1 Sr1 101.3(8) 2_578 2_678
Sr1 Li1 Sr1 86.6(4) . 2_678
N1 C4 H4 119.1 . .
C3 C4 N1 121.9(12) . .
C3 C4 H4 119.1 . .
C8 C9 C10 117.2(12) . .
C8 C9 H9 121.4 . .
C10 C9 H9 121.4 . .
N5 C23 C24 124.2(12) . .
N5 C23 H23 117.9 . .
C24 C23 H23 117.9 . .
C28 N4 Li1 122.1(13) . 2_578
C28 N4 C30 114.5(18) . .
C28 N4 C29 113.9(19) . .
C30 N4 Li1 109.7(19) . 2_578
C29 N4 Li1 123.4(15) . 2_578
C29 N4 C30 48(2) . .
C36 N7 C37 133(3) . .
C36 N7 C38 113(2) . .
C37 N7 C38 113(2) . .
Sr2 O11 H11A 151(7) . .
C25 O11 Sr2 93.1(18) . .
C25 O11 H11A 106(5) . .
C26 C32 H32 124.1 . .
C26 C32 C29 97(3) . .
C30 C32 C26 112(3) . .
C30 C32 H32 124.1 . .
C30 C32 C29 41(2) . .
C29 C32 H32 124.1 . .
C15 C14 C18 120.0 . .
C15 C14 C13 118.1(12) . .
C18 C14 C13 121.9(12) . .
C14 C15 H15 120.0 . .
C16 C15 C14 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 H16 120.0 . .
C15 C16 N3 120.0 . .
N3 C16 H16 120.0 . .
C16 N3 Cu1 116.7(6) . 2_689
C17 N3 Cu1 123.2(6) . 2_689
C17 N3 C16 120.0 . .
N3 C17 H17 120.0 . .
C18 C17 N3 120.0 . .
C18 C17 H17 120.0 . .
C14 C18 H18 120.0 . .
C17 C18 C14 120.0 . .
C17 C18 H18 120.0 . .
O13 C36 N7 128(3) . .
O13 C36 H36 116.0 . .
N7 C36 H36 116.0 . .
C27 C28 H28 118.7 . .
N4 C28 C27 122.6(16) . .
N4 C28 H28 118.7 . .
C13 O5 Sr1 129.8(15) . .
O6 C13 C14 116.4(17) . .
O6 C13 Sr1 93.7(10) . .
C14 C13 Sr1 145.3(12) . .
O5 C13 O6 123.3(18) . .
O5 C13 C14 120(2) . .
O5 C13 Sr1 34.5(10) . .
O4 Sr1 Sr2 89.15(18) . .
O4 Sr1 O3 48.9(2) . .
O4 Sr1 C7 24.7(3) . .
O4 Sr1 Li1 102.4(4) . .
O4 Sr1 Li1 28.1(3) . 2_678
O4 Sr1 C13 151.7(4) . .
O7 Sr1 Sr2 121.61(18) . .
O7 Sr1 O4 77.4(3) . .
O7 Sr1 O3 99.6(3) . .
O7 Sr1 C7 88.5(3) . .
O7 Sr1 Li1 81.9(3) . 2_678
O7 Sr1 Li1 33.7(4) . .
O7 Sr1 C13 79.1(5) . .
O8 Sr1 Sr2 130.6(2) 2_678 .
O8 Sr1 O4 83.1(3) 2_678 .
O8 Sr1 O7 104.1(3) 2_678 .
O8 Sr1 O2 91.2(3) 2_678 .
O8 Sr1 O3 119.0(3) 2_678 .
O8 Sr1 C7 101.8(3) 2_678 .
O8 Sr1 O9 158.3(3) 2_678 .
O8 Sr1 Li1 55.4(4) 2_678 2_678
O8 Sr1 Li1 85.1(4) 2_678 .
O8 Sr1 C13 87.5(4) 2_678 .
O2 Sr1 Sr2 42.92(19) . .
O2 Sr1 O4 101.7(3) . .
O2 Sr1 O7 164.4(3) . .
O2 Sr1 O3 69.5(3) . .
O2 Sr1 C7 85.2(3) . .
O2 Sr1 O9 74.9(3) . .
O2 Sr1 Li1 154.9(4) . .
O2 Sr1 Li1 104.8(3) . 2_678
O2 Sr1 C13 105.1(5) . .
O3 Sr1 Sr2 40.87(17) . .
O3 Sr1 C7 24.1(3) . .
O3 Sr1 Li1 133.3(4) . .
O3 Sr1 Li1 74.0(3) . 2_678
O3 Sr1 C13 152.5(4) . .
C7 Sr1 Sr2 64.7(2) . .
C7 Sr1 Li1 50.8(4) . 2_678
C7 Sr1 Li1 119.8(4) . .
C7 Sr1 C13 166.1(5) . .
O9 Sr1 Sr2 44.8(2) . .
O9 Sr1 O4 115.6(3) . .
O9 Sr1 O7 91.3(3) . .
O9 Sr1 O3 72.1(3) . .
O9 Sr1 C7 93.7(3) . .
O9 Sr1 Li1 143.7(4) . 2_678
O9 Sr1 Li1 100.4(4) . .
O9 Sr1 C13 80.5(4) . .
Li1 Sr1 Sr2 143.9(3) . .
Li1 Sr1 Sr2 110.7(2) 2_678 .
Li1 Sr1 Li1 93.4(4) . 2_678
O5 Sr1 Sr2 114.6(3) . .
O5 Sr1 O4 155.6(4) . .
O5 Sr1 O7 93.3(4) . .
O5 Sr1 O8 77.4(4) . 2_678
O5 Sr1 O2 93.2(4) . .
O5 Sr1 O3 155.3(4) . .
O5 Sr1 C7 178.1(5) . .
O5 Sr1 O9 86.7(4) . .
O5 Sr1 Li1 61.8(5) . .
O5 Sr1 Li1 129.0(4) . 2_678
O5 Sr1 C13 15.7(6) . .
C13 Sr1 Sr2 116.8(3) . .
C13 Sr1 Li1 132.0(4) . 2_678
C13 Sr1 Li1 50.0(5) . .
N7 C37 H37A 109.5 . .
N7 C37 H37B 109.5 . .
N7 C37 H37C 109.5 . .
H37A C37 H37B 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
N7 C38 H38A 109.5 . .
N7 C38 H38B 109.5 . .
N7 C38 H38C 109.5 . .
H38A C38 H38B 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N4 C30 C31 94(3) . .
C32 C30 N4 121(3) . .
C29 C30 N4 65(3) . .
C29 C30 C32 86(4) . .
C29 C30 C31 49(3) . .
N4 C29 C32 104(3) . .
C30 C29 N4 68(3) . .
C30 C29 C32 54(3) . .
C30 C29 C31 91(4) . .
C31 C29 N4 119(3) . .
C33 N6 C35 126(4) . .
C33 N6 C34 120(3) . .
C34 N6 C35 113(3) . .
C33 O12 Sr2 151(3) . .
N6 C33 O12 129(4) . .
N6 C33 H33 115.4 . .
O12 C33 H33 115.4 . .
N6 C35 H35A 109.5 . .
N6 C35 H35B 109.4 . .
N6 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
N6 C34 H34A 109.7 . .
N6 C34 H34B 109.2 . .
N6 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C26 C31 C30 94(3) . .
C29 C31 C26 119(3) . .
C29 C31 C30 40(2) . .
C25 O10 Sr2 98.1(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Cu1 2.641(2) 2_789
I1 Cu1 2.697(2) .
I2 Cu2 2.667(3) .
I2 Cu2 2.645(2) 2_577
Sr2 O2 2.673(8) .
Sr2 O3 2.553(8) .
Sr2 O1 2.522(8) 2_688
Sr2 O1 2.694(9) .
Sr2 O9 2.752(9) .
Sr2 C1 3.069(13) .
Sr2 C25 3.035(17) .
Sr2 O13 2.479(15) .
Sr2 O11 2.57(4) .
Sr2 Sr1 3.891(2) .
Sr2 O12 2.31(2) .
Sr2 O10 2.62(3) .
Cu1 Cu1 2.664(3) 2_789
Cu1 N1 2.057(11) .
Cu1 N3 2.05(5) 2_689
Cu2 Cu2 2.836(4) 2_577
Cu2 N5 2.066(10) .
Cu2 N2 2.076(10) 2_677
O4 C7 1.280(14) .
O4 Li1 1.97(2) 2_678
O4 Sr1 2.623(7) .
O7 C19 1.279(14) .
O7 Li1 1.967(19) .
O7 Sr1 2.534(8) .
O8 C19 1.240(15) .
O8 Sr1 2.491(9) 2_678
O2 C1 1.289(15) .
O2 Sr1 2.495(8) .
N1 C5 1.345(16) .
N1 C4 1.349(18) .
O3 C7 1.244(14) .
O3 Sr1 2.756(9) .
N5 C22 1.343(19) .
N5 C23 1.333(17) .
C7 C8 1.496(16) .
C7 Sr1 3.040(12) .
O1 C1 1.267(14) .
O9 C25 1.212(16) .
O9 Sr1 2.509(9) .
C19 C20 1.522(16) .
N2 C10 1.328(18) .
N2 C11 1.318(17) .
C24 H24 0.9300 .
C24 C20 1.361(17) .
C24 C23 1.374(19) .
C1 C2 1.486(17) .
C8 C12 1.412(16) .
C8 C9 1.412(16) .
C12 H12 0.9300 .
C12 C11 1.384(18) .
C3 H3 0.9300 .
C3 C2 1.362(16) .
C3 C4 1.348(19) .
C5 H5 0.9300 .
C5 C6 1.346(18) .
C20 C21 1.372(18) .
C2 C6 1.390(17) .
O6 Li1 1.84(2) .
O6 C13 1.34(3) .
C6 H6 0.9300 .
C27 H27 0.9300 .
C27 C26 1.31(2) .
C27 C28 1.38(2) .
C21 H21 0.9300 .
C21 C22 1.36(2) .
C22 H22 0.9300 .
C25 C26 1.51(2) .
C25 O11 1.48(5) .
C25 O10 1.21(3) .
C10 H10 0.9300 .
C10 C9 1.418(18) .
C26 C32 1.47(4) .
C26 C31 1.46(4) .
O13 C36 1.23(3) .
C11 H11 0.9300 .
Li1 N4 2.14(2) 2_578
Li1 Sr1 3.483(16) .
Li1 Sr1 3.843(19) 2_678
C4 H4 0.9300 .
C9 H9 0.9300 .
C23 H23 0.9300 .
N4 C28 1.27(2) .
N4 C30 1.44(4) .
N4 C29 1.41(4) .
N7 C36 1.25(3) .
N7 C37 1.41(3) .
N7 C38 1.44(3) .
O11 H11A 0.851(10) .
C32 H32 0.9800 .
C32 C30 1.43(4) .
C32 C29 1.76(5) .
C14 C15 1.3900 .
C14 C18 1.3900 .
C14 C13 1.501(19) .
C15 H15 0.9300 .
C15 C16 1.3900 .
C16 H16 0.9300 .
C16 N3 1.3900 .
N3 C17 1.3900 .
C17 H17 0.9300 .
C17 C18 1.3900 .
C18 H18 0.9300 .
C36 H36 0.9300 .
C28 H28 0.9300 .
O5 C13 1.16(2) .
O5 Sr1 2.442(12) .
C13 Sr1 3.310(18) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
C30 C29 1.15(5) .
C30 C31 1.79(7) .
C29 C31 1.36(4) .
N6 C33 1.21(4) .
N6 C35 1.491(10) .
N6 C34 1.41(4) .
O12 C33 1.311(10) .
C33 H33 0.9300 .
C35 H35A 0.9600 .
C35 H35B 0.9601 .
C35 H35C 0.9600 .
C34 H34A 0.9599 .
C34 H34B 0.9599 .
C34 H34C 0.9600 .
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
Sr2 O2 C1 O1 8.1(12) . . . .
Sr2 O2 C1 C2 -172.8(9) . . . .
Sr2 O3 C7 O4 113(3) . . . .
Sr2 O3 C7 C8 -66(4) . . . .
Sr2 O3 C7 Sr1 113(4) . . . .
Sr2 O1 C1 Sr2 -172(2) 2_688 . . .
Sr2 O1 C1 O2 -179.5(14) 2_688 . . .
Sr2 O1 C1 O2 -8.0(12) . . . .
Sr2 O1 C1 C2 1(3) 2_688 . . .
Sr2 O1 C1 C2 172.9(10) . . . .
Sr2 O9 C25 C26 172.7(16) . . . .
Sr2 O9 C25 O11 26(2) . . . .
Sr2 O9 C25 O10 -19(3) . . . .
Sr2 O13 C36 N7 -175(2) . . . .
Sr2 O12 C33 N6 -164(4) . . . .
Cu1 N1 C5 C6 177.7(12) . . . .
Cu1 N1 C4 C3 -173.7(14) . . . .
Cu1 N3 C17 C18 176.6(7) 2_689 . . .
Cu2 N5 C22 C21 -180.0(18) . . . .
Cu2 N5 C23 C24 178.1(13) . . . .
Cu2 N2 C10 C9 -172.7(13) 2_677 . . .
Cu2 N2 C11 C12 174.1(12) 2_677 . . .
O4 C7 C8 C12 24.8(19) . . . .
O4 C7 C8 C9 -150.2(13) . . . .
O7 C19 C20 C24 175.8(13) . . . .
O7 C19 C20 C21 -2(2) . . . .
O8 C19 C20 C24 -5.4(19) . . . .
O8 C19 C20 C21 176.8(15) . . . .
O2 C1 C2 C3 -20(2) . . . .
O2 C1 C2 C6 154.5(12) . . . .
N1 C5 C6 C2 0(2) . . . .
O3 C7 C8 C12 -156.6(13) . . . .
O3 C7 C8 C9 28.4(19) . . . .
C7 C8 C12 C11 -173.0(13) . . . .
C7 C8 C9 C10 174.3(14) . . . .
O1 C1 C2 C3 158.9(14) . . . .
O1 C1 C2 C6 -26.4(18) . . . .
O9 C25 C26 C27 14(3) . . . .
O9 C25 C26 C32 -148(3) . . . .
O9 C25 C26 C31 163(3) . . . .
O9 C25 O11 Sr2 -28(3) . . . .
O9 C25 O10 Sr2 20(3) . . . .
C19 C20 C21 C22 -179.7(17) . . . .
N2 C10 C9 C8 -3(3) . . . .
C24 C20 C21 C22 2(3) . . . .
C1 C2 C6 C5 -178.4(13) . . . .
C8 C12 C11 N2 0(2) . . . .
C12 C8 C9 C10 -1(2) . . . .
C3 C2 C6 C5 -3(2) . . . .
C5 N1 C4 C3 4(2) . . . .
C20 C24 C23 N5 5(3) . . . .
C20 C21 C22 N5 -1(4) . . . .
C2 C3 C4 N1 -8(3) . . . .
C27 C26 C32 C30 9(5) . . . .
C27 C26 C32 C29 48(3) . . . .
C27 C26 C31 C30 -64(3) . . . .
C27 C26 C31 C29 -31(6) . . . .
C22 N5 C23 C24 -3(3) . . . .
C25 C26 C32 C30 171(3) . . . .
C25 C26 C32 C29 -150(2) . . . .
C25 C26 C31 C30 143(2) . . . .
C25 C26 C31 C29 176(4) . . . .
C10 N2 C11 C12 -4(2) . . . .
C26 C27 C28 N4 4(3) . . . .
C26 C25 O11 Sr2 -176.4(12) . . . .
C26 C25 O10 Sr2 -171.3(15) . . . .
C26 C32 C30 N4 18(6) . . . .
C26 C32 C30 C29 74(4) . . . .
C26 C32 C29 N4 -67(3) . . . .
C26 C32 C29 C30 -116(3) . . . .
C11 N2 C10 C9 5(3) . . . .
Li1 O4 C7 O3 -134.5(15) 2_678 . . .
Li1 O4 C7 C8 44.0(19) 2_678 . . .
Li1 O4 C7 Sr1 -134.6(15) 2_678 . . .
Li1 O7 C19 O8 -40.7(18) . . . .
Li1 O7 C19 C20 137.9(10) . . . .
Li1 O6 C13 C14 -167.2(12) . . . .
Li1 O6 C13 O5 11(3) . . . .
Li1 O6 C13 Sr1 30.6(16) . . . .
Li1 N4 C28 C27 158.5(17) 2_578 . . .
Li1 N4 C30 C32 -175(3) 2_578 . . .
Li1 N4 C30 C29 118(2) 2_578 . . .
Li1 N4 C30 C31 158.0(17) 2_578 . . .
Li1 N4 C29 C32 -128(2) 2_578 . . .
Li1 N4 C29 C30 -87(3) 2_578 . . .
Li1 N4 C29 C31 -165(4) 2_578 . . .
C4 N1 C5 C6 0(2) . . . .
C4 C3 C2 C1 -177.6(15) . . . .
C4 C3 C2 C6 7(2) . . . .
C9 C8 C12 C11 2(2) . . . .
C23 N5 C22 C21 2(3) . . . .
C23 C24 C20 C19 177.9(14) . . . .
C23 C24 C20 C21 -4(3) . . . .
N4 C30 C29 C32 128(2) . . . .
N4 C30 C29 C31 121(2) . . . .
N4 C30 C31 C26 81(3) . . . .
N4 C30 C31 C29 -51(3) . . . .
N4 C29 C31 C26 7(7) . . . .
N4 C29 C31 C30 65(4) . . . .
O11 C25 C26 C27 161(3) . . . .
O11 C25 C26 C32 -1(4) . . . .
C32 C30 C29 N4 -128(2) . . . .
C14 C15 C16 N3 0.0 . . . .
C15 C14 C18 C17 0.0 . . . .
C15 C14 C13 O6 178.6(12) . . . .
C15 C14 C13 O5 0(2) . . . .
C15 C14 C13 Sr1 -34(2) . . . .
C15 C16 N3 Cu1 -176.9(7) . . . 2_689
C15 C16 N3 C17 0.0 . . . .
C16 N3 C17 C18 0.0 . . . .
N3 C17 C18 C14 0.0 . . . .
C18 C14 C15 C16 0.0 . . . .
C18 C14 C13 O6 -3(2) . . . .
C18 C14 C13 O5 178.9(15) . . . .
C18 C14 C13 Sr1 145.1(17) . . . .
C28 C27 C26 C25 178.5(19) . . . .
C28 C27 C26 C32 -20(4) . . . .
C28 C27 C26 C31 27(4) . . . .
C28 N4 C30 C32 -33(5) . . . .
C28 N4 C30 C29 -101(3) . . . .
C28 N4 C30 C31 -60(3) . . . .
C28 N4 C29 C32 61(3) . . . .
C28 N4 C29 C30 102(3) . . . .
C28 N4 C29 C31 24(5) . . . .
C13 O6 Li1 O4 66.1(19) . . . 2_678
C13 O6 Li1 O7 -63(2) . . . .
C13 O6 Li1 N4 -178.4(15) . . . 2_578
C13 O6 Li1 Sr1 -29.4(16) . . . .
C13 O6 Li1 Sr1 31(3) . . . 2_678
C13 C14 C15 C16 178.9(12) . . . .
C13 C14 C18 C17 -178.8(12) . . . .
Sr1 O4 C7 O3 0.1(13) . . . .
Sr1 O4 C7 C8 178.6(9) . . . .
Sr1 O7 C19 O8 101.2(14) . . . .
Sr1 O7 C19 C20 -80.2(13) . . . .
Sr1 O8 C19 O7 -29.5(19) 2_678 . . .
Sr1 O8 C19 C20 151.9(8) 2_678 . . .
Sr1 O2 C1 Sr2 -109.6(12) . . . .
Sr1 O2 C1 O1 -101.5(14) . . . .
Sr1 O2 C1 C2 77.6(16) . . . .
Sr1 O3 C7 O4 -0.1(13) . . . .
Sr1 O3 C7 C8 -178.6(10) . . . .
Sr1 O9 C25 Sr2 -114(4) . . . .
Sr1 O9 C25 C26 59(5) . . . .
Sr1 O9 C25 O11 -87(4) . . . .
Sr1 O9 C25 O10 -133(4) . . . .
Sr1 O5 C13 O6 35(3) . . . .
Sr1 O5 C13 C14 -146.0(12) . . . .
C37 N7 C36 O13 178(3) . . . .
C38 N7 C36 O13 8(5) . . . .
C30 N4 C28 C27 22(4) . . . .
C30 N4 C29 C32 -41(3) . . . .
C30 N4 C29 C31 -78(5) . . . .
C30 C32 C29 N4 49(3) . . . .
C30 C29 C31 C26 -58(5) . . . .
C29 N4 C28 C27 -30(4) . . . .
C29 N4 C30 C32 67(4) . . . .
C29 N4 C30 C31 40(3) . . . .
C29 C32 C30 N4 -57(4) . . . .
C29 C30 C31 C26 132(4) . . . .
C35 N6 C33 O12 167(4) . . . .
C34 N6 C33 O12 -23(8) . . . .
C31 C30 C29 N4 -121(2) . . . .
O10 C25 C26 C27 -155(3) . . . .
O10 C25 C26 C31 -5(4) . . . .

_cod_database_fobs_code 1561017
