# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 1579374'
_audit_update_record             
;
2017-10-11 deposited with the CCDC.
2018-02-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H28 Cr2 N4 O22 Sr'
_chemical_formula_weight         964.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.3528 1.8200 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.756(5)
_cell_length_b                   18.408(5)
_cell_length_c                   16.529(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 95.107(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     3563(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    105.5(7)
_cell_measurement_reflns_used    12333
_cell_measurement_theta_min      3.5988
_cell_measurement_theta_max      75.6312

_exptl_crystal_description       stick
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_F_000             1944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    7.749
_exptl_absorpt_correction_T_min  0.51298
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      105.5(7)
_diffrn_radiation_wavelength     1.54179
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4323
_diffrn_reflns_number            19801
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.602
_diffrn_reflns_theta_max         75.810
_diffrn_reflns_theta_full        67.680
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7362
_reflns_number_gt                6918
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0664P)²+2.5779P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7362
_refine_ls_number_parameters     557
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0378
_refine_ls_wR_factor_ref         0.1061
_refine_ls_wR_factor_gt          0.1031
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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
C1 C 0.4616(3) 0.42198(17) 0.86906(19) 0.0287(6) Uani 1 1 d . . . . .
H1 H 0.419297 0.437081 0.820303 0.034 Uiso 1 1 calc R U . . .
C2 C 0.5737(3) 0.4443(2) 0.8840(2) 0.0425(8) Uani 1 1 d . . . . .
H2 H 0.608484 0.473800 0.845971 0.051 Uiso 1 1 calc R U . . .
C3 C 0.6342(3) 0.4228(2) 0.9558(3) 0.0469(9) Uani 1 1 d . . . . .
H3 H 0.711433 0.437316 0.967399 0.056 Uiso 1 1 calc R U . . .
C4 C 0.5813(3) 0.37977(17) 1.0110(2) 0.0332(7) Uani 1 1 d . . . . .
H4 H 0.621458 0.365133 1.060703 0.040 Uiso 1 1 calc R U . . .
C5 C 0.4693(2) 0.35892(13) 0.99166(16) 0.0198(5) Uani 1 1 d . . . . .
C6 C 0.4045(2) 0.31239(13) 1.04447(15) 0.0166(4) Uani 1 1 d . . . . .
C7 C 0.4490(2) 0.28556(14) 1.11911(15) 0.0209(5) Uani 1 1 d . . . . .
H7 H 0.524738 0.297115 1.140003 0.025 Uiso 1 1 calc R U . . .
C8 C 0.3802(2) 0.24128(15) 1.16277(15) 0.0226(5) Uani 1 1 d . . . . .
H8 H 0.408929 0.222298 1.214004 0.027 Uiso 1 1 calc R U . . .
C9 C 0.2705(2) 0.22504(14) 1.13160(15) 0.0211(5) Uani 1 1 d . . . . .
H9 H 0.223022 0.194594 1.160591 0.025 Uiso 1 1 calc R U . . .
C10 C 0.2308(2) 0.25424(13) 1.05674(15) 0.0180(5) Uani 1 1 d . . . . .
H10 H 0.154864 0.243947 1.035301 0.022 Uiso 1 1 calc R U . . .
C11 C 0.4588(2) 0.91454(13) 0.88431(18) 0.0223(5) Uani 1 1 d . . . . .
H11 H 0.421016 0.927718 0.833206 0.027 Uiso 1 1 calc R U . . .
C12 C 0.5691(2) 0.93807(15) 0.9037(2) 0.0284(6) Uani 1 1 d . . . . .
H12 H 0.606996 0.966756 0.866626 0.034 Uiso 1 1 calc R U . . .
C13 C 0.6238(2) 0.91896(15) 0.9789(2) 0.0280(6) Uani 1 1 d . . . . .
H13 H 0.700024 0.934288 0.993657 0.034 Uiso 1 1 calc R U . . .
C14 C 0.5659(2) 0.87719(14) 1.03213(17) 0.0224(5) Uani 1 1 d . . . . .
H14 H 0.601753 0.863990 1.083831 0.027 Uiso 1 1 calc R U . . .
C15 C 0.4551(2) 0.85513(13) 1.00855(15) 0.0167(4) Uani 1 1 d . . . . .
C16 C 0.3840(2) 0.81242(13) 1.06073(14) 0.0159(4) Uani 1 1 d . . . . .
C17 C 0.4248(2) 0.78068(15) 1.13374(15) 0.0222(5) Uani 1 1 d . . . . .
H17 H 0.503153 0.784581 1.152962 0.027 Uiso 1 1 calc R U . . .
C18 C 0.3493(2) 0.74322(16) 1.17809(16) 0.0249(5) Uani 1 1 d . . . . .
H18 H 0.375699 0.720615 1.227926 0.030 Uiso 1 1 calc R U . . .
C19 C 0.2349(2) 0.73882(16) 1.14947(16) 0.0249(5) Uani 1 1 d . . . . .
H19 H 0.181759 0.714117 1.179731 0.030 Uiso 1 1 calc R U . . .
C20 C 0.1998(2) 0.77122(14) 1.07585(15) 0.0205(5) Uani 1 1 d . . . . .
H20 H 0.121572 0.768531 1.056028 0.025 Uiso 1 1 calc R U . . .
C21 C 0.1271(2) 0.46740(13) 0.89082(14) 0.0174(5) Uani 1 1 d . . . . .
C22 C 0.1491(2) 0.44561(13) 0.80233(14) 0.0167(4) Uani 1 1 d . . . . .
C23 C 0.0951(2) 0.23140(13) 0.84834(14) 0.0145(4) Uani 1 1 d . . . . .
C24 C 0.21422(19) 0.20841(12) 0.82301(14) 0.0143(4) Uani 1 1 d . . . . .
C25 C 0.1800(2) 0.70499(13) 0.85211(14) 0.0149(4) Uani 1 1 d . . . . .
C26 C 0.0662(2) 0.74115(13) 0.87088(14) 0.0149(4) Uani 1 1 d . . . . .
C27 C -0.1438(2) 0.47399(13) 0.62691(15) 0.0166(4) Uani 1 1 d . . . . .
C28 C -0.1708(2) 0.43703(13) 0.70783(15) 0.0166(4) Uani 1 1 d . . . . .
N1 N 0.41049(18) 0.37965(11) 0.92108(13) 0.0191(4) Uani 1 1 d . . . . .
N2 N 0.29638(17) 0.29646(11) 1.01387(12) 0.0148(4) Uani 1 1 d . . . . .
N3 N 0.40274(17) 0.87362(11) 0.93509(13) 0.0156(4) Uani 1 1 d . . . . .
N4 N 0.27284(17) 0.80629(11) 1.03158(12) 0.0151(4) Uani 1 1 d . . . . .
O1 O -0.1830(2) 0.57494(14) 0.88163(13) 0.0358(5) Uani 1 1 d D . . . .
O2 O 0.17779(16) 0.42617(10) 0.94627(10) 0.0187(3) Uani 1 1 d . . . . .
O3 O 0.06695(18) 0.51991(10) 0.90273(11) 0.0237(4) Uani 1 1 d . . . . .
O4 O 0.10685(16) 0.48268(10) 0.74597(11) 0.0211(4) Uani 1 1 d . . . . .
O5 O 0.21278(15) 0.38968(10) 0.79747(10) 0.0185(3) Uani 1 1 d . . . . .
O6 O 0.09756(14) 0.29028(9) 0.89115(10) 0.0164(3) Uani 1 1 d . . . . .
O7 O -0.01151(15) 0.69429(10) 0.67140(11) 0.0202(4) Uani 1 1 d . . . . .
O8 O -0.22305(15) 0.65208(10) 0.71615(11) 0.0200(4) Uani 1 1 d D . . . .
O9 O 0.29641(14) 0.25126(9) 0.84692(10) 0.0164(3) Uani 1 1 d . . . . .
O10 O 0.27004(14) 0.74184(9) 0.87392(10) 0.0155(3) Uani 1 1 d . . . . .
O11 O 0.17744(16) 0.64484(9) 0.81928(11) 0.0194(3) Uani 1 1 d . . . . .
O12 O -0.02412(15) 0.71065(10) 0.85271(12) 0.0239(4) Uani 1 1 d . . . . .
O13 O 0.07881(14) 0.80387(9) 0.90539(10) 0.0166(3) Uani 1 1 d . . . . .
O14 O -0.22138(15) 0.37535(9) 0.69821(10) 0.0178(3) Uani 1 1 d . . . . .
O15 O -0.14543(17) 0.46757(10) 0.77232(11) 0.0231(4) Uani 1 1 d . . . . .
O16 O -0.09504(16) 0.53258(10) 0.62892(11) 0.0206(4) Uani 1 1 d . . . . .
O17 O -0.17976(15) 0.43840(9) 0.56254(10) 0.0165(3) Uani 1 1 d . . . . .
O18 O 0.79763(19) 0.04305(11) 0.88843(12) 0.0288(4) Uani 1 1 d D . . . .
O19 O -0.0904(3) 0.3678(2) 0.9811(2) 0.0685(10) Uani 1 1 d G . . . .
H191 H -0.038890 0.353182 0.952901 0.103 Uiso 1 1 d G U . . .
H192 H -0.071037 0.410597 0.993379 0.103 Uiso 1 1 d G U . . .
O20 O 0.0967(2) 0.10394(15) 0.02678(17) 0.0416(6) Uani 1 1 d D . . . .
O21 O 0.64310(18) 0.42733(13) 0.25390(14) 0.0315(4) Uani 1 1 d D . . . .
O22 O -0.40910(19) 0.55350(13) 0.73308(19) 0.0423(6) Uani 1 1 d D . . . .
Cr1 Cr 0.24688(3) 0.33907(2) 0.90169(2) 0.01359(10) Uani 1 1 d . . . . .
Cr2 Cr 0.23624(3) 0.84020(2) 0.91379(2) 0.01234(10) Uani 1 1 d . . . . .
Sr1 Sr -0.03083(2) 0.58908(2) 0.77492(2) 0.01496(8) Uani 1 1 d . . . . .
H18A H 0.818(3) 0.045(2) 0.9415(11) 0.039(11) Uiso 1 1 d D . . . .
H18B H 0.837(3) 0.0099(18) 0.863(2) 0.043(11) Uiso 1 1 d D . . . .
H21A H 0.689(3) 0.398(2) 0.230(2) 0.043(11) Uiso 1 1 d D . . . .
H20B H 0.084(4) 0.091(3) -0.0246(14) 0.061(15) Uiso 1 1 d D . . . .
H21B H 0.682(3) 0.433(2) 0.3021(16) 0.039(11) Uiso 1 1 d D . . . .
H22B H -0.477(2) 0.566(3) 0.748(3) 0.081(19) Uiso 1 1 d D . . . .
H22A H -0.356(3) 0.589(2) 0.742(3) 0.072(18) Uiso 1 1 d D . . . .
H20A H 0.040(3) 0.128(2) 0.048(2) 0.036(10) Uiso 1 1 d D . . . .
H1A H -0.166(4) 0.576(2) 0.9345(12) 0.049(13) Uiso 1 1 d D . . . .
H1B H -0.181(7) 0.532(2) 0.858(4) 0.15(3) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 N1 1.341(4) . ?
C1 C2 1.382(4) . ?
C2 C3 1.386(5) . ?
C3 C4 1.395(5) . ?
C4 C5 1.381(4) . ?
C5 N1 1.357(3) . ?
C5 C6 1.482(3) . ?
C6 N2 1.357(3) . ?
C6 C7 1.387(3) . ?
C7 C8 1.394(4) . ?
C8 C9 1.379(4) . ?
C9 C10 1.391(4) . ?
C10 N2 1.340(3) . ?
C11 N3 1.343(3) . ?
C11 C12 1.378(4) . ?
C12 C13 1.392(5) . ?
C13 C14 1.391(4) . ?
C14 C15 1.387(4) . ?
C15 N3 1.355(3) . ?
C15 C16 1.480(3) . ?
C16 N4 1.357(3) . ?
C16 C17 1.387(3) . ?
C17 C18 1.384(4) . ?
C18 C19 1.388(4) . ?
C19 C20 1.385(4) . ?
C20 N4 1.342(3) . ?
C21 O3 1.224(3) . ?
C21 O2 1.294(3) . ?
C21 C22 1.560(3) . ?
C21 Sr1 3.391(3) . ?
C22 O4 1.224(3) . ?
C22 O5 1.280(3) . ?
C22 Sr1 3.389(3) . ?
C23 O7 1.217(3) 2_546 ?
C23 O6 1.293(3) . ?
C23 C24 1.556(3) . ?
C23 Sr1 3.363(2) 2_546 ?
C24 O8 1.232(3) 2_546 ?
C24 O9 1.282(3) . ?
C24 Sr1 3.387(2) 2_546 ?
C25 O11 1.232(3) . ?
C25 O10 1.281(3) . ?
C25 C26 1.551(3) . ?
C26 O12 1.215(3) . ?
C26 O13 1.290(3) . ?
C26 Sr1 3.366(2) . ?
C27 O16 1.220(3) . ?
C27 O17 1.288(3) . ?
C27 C28 1.558(3) . ?
C27 Sr1 3.414(3) . ?
C28 O15 1.218(3) . ?
C28 O14 1.285(3) . ?
C28 Sr1 3.383(3) . ?
N1 Cr1 2.062(2) . ?
N2 Cr1 2.049(2) . ?
N3 Cr2 2.052(2) . ?
N4 Cr2 2.053(2) . ?
O1 Sr1 2.634(2) . ?
O2 Cr1 1.9698(18) . ?
O3 Sr1 2.6408(19) . ?
O4 Sr1 2.6120(19) . ?
O5 Cr1 1.9681(18) . ?
O6 Cr1 1.9657(19) . ?
O7 Sr1 2.6075(18) . ?
O8 Sr1 2.647(2) . ?
O9 Cr1 1.9660(17) . ?
O10 Cr2 1.9791(17) . ?
O11 Sr1 2.696(2) . ?
O12 Sr1 2.5788(19) . ?
O13 Cr2 1.9611(19) . ?
O14 Cr2 1.9541(18) 2_546 ?
O15 Sr1 2.6094(19) . ?
O16 Sr1 2.6741(19) . ?
O17 Cr2 1.9769(17) 2_546 ?

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 C1 C2 122.2(3) . . ?
C1 C2 C3 118.4(3) . . ?
C2 C3 C4 119.9(3) . . ?
C5 C4 C3 118.5(3) . . ?
N1 C5 C4 121.5(2) . . ?
N1 C5 C6 114.8(2) . . ?
C4 C5 C6 123.7(2) . . ?
N2 C6 C7 121.4(2) . . ?
N2 C6 C5 114.8(2) . . ?
C7 C6 C5 123.8(2) . . ?
C6 C7 C8 118.6(2) . . ?
C9 C8 C7 120.0(2) . . ?
C8 C9 C10 118.5(2) . . ?
N2 C10 C9 122.1(2) . . ?
N3 C11 C12 122.3(3) . . ?
C11 C12 C13 118.6(3) . . ?
C14 C13 C12 119.4(3) . . ?
C15 C14 C13 119.0(3) . . ?
N3 C15 C14 121.3(2) . . ?
N3 C15 C16 114.9(2) . . ?
C14 C15 C16 123.9(2) . . ?
N4 C16 C17 121.4(2) . . ?
N4 C16 C15 114.4(2) . . ?
C17 C16 C15 124.2(2) . . ?
C18 C17 C16 118.8(2) . . ?
C17 C18 C19 119.7(2) . . ?
C20 C19 C18 118.6(2) . . ?
N4 C20 C19 122.1(2) . . ?
O3 C21 O2 125.9(2) . . ?
O3 C21 C22 120.0(2) . . ?
O2 C21 C22 114.1(2) . . ?
O3 C21 Sr1 43.46(12) . . ?
O2 C21 Sr1 169.15(17) . . ?
C22 C21 Sr1 76.60(13) . . ?
O4 C22 O5 126.9(2) . . ?
O4 C22 C21 118.7(2) . . ?
O5 C22 C21 114.4(2) . . ?
O4 C22 Sr1 42.05(12) . . ?
O5 C22 Sr1 168.60(17) . . ?
C21 C22 Sr1 76.79(13) . . ?
O7 C23 O6 126.6(2) 2_546 . ?
O7 C23 C24 120.0(2) 2_546 . ?
O6 C23 C24 113.5(2) . . ?
O7 C23 Sr1 42.94(12) 2_546 2_546 ?
O6 C23 Sr1 167.74(16) . 2_546 ?
C24 C23 Sr1 77.53(12) . 2_546 ?
O8 C24 O9 125.7(2) 2_546 . ?
O8 C24 C23 119.4(2) 2_546 . ?
O9 C24 C23 114.9(2) . . ?
O8 C24 Sr1 44.17(12) 2_546 2_546 ?
O9 C24 Sr1 167.53(16) . 2_546 ?
C23 C24 Sr1 75.82(12) . 2_546 ?
O11 C25 O10 126.0(2) . . ?
O11 C25 C26 119.1(2) . . ?
O10 C25 C26 115.0(2) . . ?
O12 C26 O13 125.9(2) . . ?
O12 C26 C25 120.2(2) . . ?
O13 C26 C25 113.9(2) . . ?
O12 C26 Sr1 41.16(12) . . ?
O13 C26 Sr1 166.71(16) . . ?
C25 C26 Sr1 79.11(13) . . ?
O16 C27 O17 126.2(2) . . ?
O16 C27 C28 119.6(2) . . ?
O17 C27 C28 114.2(2) . . ?
O16 C27 Sr1 43.98(12) . . ?
O17 C27 Sr1 170.17(16) . . ?
C28 C27 Sr1 75.63(13) . . ?
O15 C28 O14 126.2(2) . . ?
O15 C28 C27 119.8(2) . . ?
O14 C28 C27 114.0(2) . . ?
O15 C28 Sr1 42.07(12) . . ?
O14 C28 Sr1 167.89(17) . . ?
C27 C28 Sr1 77.87(13) . . ?
C1 N1 C5 119.4(2) . . ?
C1 N1 Cr1 125.1(2) . . ?
C5 N1 Cr1 115.39(17) . . ?
C10 N2 C6 119.4(2) . . ?
C10 N2 Cr1 124.74(17) . . ?
C6 N2 Cr1 115.81(16) . . ?
C11 N3 C15 119.5(2) . . ?
C11 N3 Cr2 125.04(18) . . ?
C15 N3 Cr2 115.41(16) . . ?
C20 N4 C16 119.3(2) . . ?
C20 N4 Cr2 124.96(17) . . ?
C16 N4 Cr2 115.17(16) . . ?
C21 O2 Cr1 113.07(15) . . ?
C21 O3 Sr1 117.95(16) . . ?
C22 O4 Sr1 119.66(15) . . ?
C22 O5 Cr1 113.62(15) . . ?
C23 O6 Cr1 114.07(15) . . ?
C23 O7 Sr1 118.52(15) 2_556 . ?
C24 O8 Sr1 116.91(15) 2_556 . ?
C24 O9 Cr1 113.69(15) . . ?
C25 O10 Cr2 113.13(15) . . ?
C25 O11 Sr1 116.64(15) . . ?
C26 O12 Sr1 120.78(16) . . ?
C26 O13 Cr2 114.04(15) . . ?
C28 O14 Cr2 114.28(15) . 2_546 ?
C28 O15 Sr1 119.70(16) . . ?
C27 O16 Sr1 117.54(16) . . ?
C27 O17 Cr2 113.13(15) . 2_546 ?
O6 Cr1 O9 83.24(7) . . ?
O6 Cr1 O5 91.61(8) . . ?
O9 Cr1 O5 91.82(8) . . ?
O6 Cr1 O2 90.59(8) . . ?
O9 Cr1 O2 172.04(8) . . ?
O5 Cr1 O2 83.31(8) . . ?
O6 Cr1 N2 94.86(8) . . ?
O9 Cr1 N2 91.73(8) . . ?
O5 Cr1 N2 172.95(8) . . ?
O2 Cr1 N2 93.80(8) . . ?
O6 Cr1 N1 173.09(8) . . ?
O9 Cr1 N1 93.39(8) . . ?
O5 Cr1 N1 94.53(8) . . ?
O2 Cr1 N1 93.27(8) . . ?
N2 Cr1 N1 79.18(9) . . ?
O14 Cr2 O13 92.38(8) 2_556 . ?
O14 Cr2 O17 83.19(7) 2_556 2_556 ?
O13 Cr2 O17 89.68(7) . 2_556 ?
O14 Cr2 O10 89.49(7) 2_556 . ?
O13 Cr2 O10 83.15(7) . . ?
O17 Cr2 O10 169.54(7) 2_556 . ?
O14 Cr2 N3 93.83(8) 2_556 . ?
O13 Cr2 N3 173.78(8) . . ?
O17 Cr2 N3 91.37(8) 2_556 . ?
O10 Cr2 N3 96.58(8) . . ?
O14 Cr2 N4 172.94(8) 2_556 . ?
O13 Cr2 N4 94.60(8) . . ?
O17 Cr2 N4 97.82(7) 2_556 . ?
O10 Cr2 N4 90.36(8) . . ?
N3 Cr2 N4 79.18(8) . . ?
O12 Sr1 O7 71.46(7) . . ?
O12 Sr1 O15 138.15(6) . . ?
O7 Sr1 O15 134.50(6) . . ?
O12 Sr1 O4 138.60(6) . . ?
O7 Sr1 O4 110.19(6) . . ?
O15 Sr1 O4 71.44(7) . . ?
O12 Sr1 O1 75.18(7) . . ?
O7 Sr1 O1 128.08(7) . . ?
O15 Sr1 O1 63.00(7) . . ?
O4 Sr1 O1 121.15(7) . . ?
O12 Sr1 O3 91.59(6) . . ?
O7 Sr1 O3 145.69(6) . . ?
O15 Sr1 O3 77.71(6) . . ?
O4 Sr1 O3 63.40(6) . . ?
O1 Sr1 O3 71.93(8) . . ?
O12 Sr1 O8 77.87(6) . . ?
O7 Sr1 O8 63.58(6) . . ?
O15 Sr1 O8 86.95(6) . . ?
O4 Sr1 O8 141.64(6) . . ?
O1 Sr1 O8 71.37(7) . . ?
O3 Sr1 O8 143.28(6) . . ?
O12 Sr1 O16 141.37(6) . . ?
O7 Sr1 O16 74.38(6) . . ?
O15 Sr1 O16 63.13(6) . . ?
O4 Sr1 O16 70.90(6) . . ?
O1 Sr1 O16 114.33(7) . . ?
O3 Sr1 O16 127.03(6) . . ?
O8 Sr1 O16 71.10(6) . . ?
O12 Sr1 O11 63.07(6) . . ?
O7 Sr1 O11 76.44(6) . . ?
O15 Sr1 O11 141.81(6) . . ?
O4 Sr1 O11 76.87(6) . . ?
O1 Sr1 O11 120.65(7) . . ?
O3 Sr1 O11 69.26(6) . . ?
O8 Sr1 O11 131.16(6) . . ?
O16 Sr1 O11 124.76(6) . . ?
O12 Sr1 C23 67.74(6) . 2_556 ?
O7 Sr1 C23 18.54(6) . 2_556 ?
O15 Sr1 C23 124.75(6) . 2_556 ?
O4 Sr1 C23 125.63(6) . 2_556 ?
O1 Sr1 C23 110.69(7) . 2_556 ?
O3 Sr1 C23 156.71(6) . 2_556 ?
O8 Sr1 C23 45.41(5) . 2_556 ?
O16 Sr1 C23 74.11(6) . 2_556 ?
O11 Sr1 C23 91.01(6) . 2_556 ?
O12 Sr1 C26 18.06(6) . . ?
O7 Sr1 C26 69.26(6) . . ?
O15 Sr1 C26 150.84(6) . . ?
O4 Sr1 C26 121.37(6) . . ?
O1 Sr1 C26 89.33(7) . . ?
O3 Sr1 C26 85.35(6) . . ?
O8 Sr1 C26 92.91(6) . . ?
O16 Sr1 C26 143.64(5) . . ?
O11 Sr1 C26 45.07(5) . . ?
C23 Sr1 C26 71.70(6) 2_556 . ?
O12 Sr1 C28 150.91(6) . . ?
O7 Sr1 C28 117.88(6) . . ?
O15 Sr1 C28 18.23(6) . . ?
O4 Sr1 C28 67.09(6) . . ?
O1 Sr1 C28 78.37(7) . . ?
O3 Sr1 C28 91.59(6) . . ?
O8 Sr1 C28 82.41(6) . . ?
O16 Sr1 C28 44.97(5) . . ?
O11 Sr1 C28 143.87(6) . . ?
C23 Sr1 C28 111.69(6) 2_556 . ?
C26 Sr1 C28 167.67(6) . . ?

_refine_diff_density_max         0.719
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.100


_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_srcrphen-lt
_database_code_depnum_ccdc_archive 'CCDC 1579375'
_audit_update_record             
;
2018-01-17 deposited with the CCDC.
2018-02-12 downloaded from the CCDC.
;

_audit_creation_date             2018-01-12T18:13:26-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_sum            'C32 H18 Cr2 N4 O17 Sr'
_chemical_formula_weight         922.12

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2144(4)
_cell_length_b                   10.6642(5)
_cell_length_c                   18.6610(7)
_cell_angle_alpha                84.389(4)
_cell_angle_beta                 86.879(3)
_cell_angle_gamma                69.897(4)
_cell_volume                     1713.32(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    106.0(6)
_cell_measurement_reflns_used    9063
_cell_measurement_theta_min      4.728
_cell_measurement_theta_max      75.279

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_density_diffrn    1.787
_exptl_crystal_F_000             920

_exptl_crystal_description       stick
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.015

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    7.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.42691
_exptl_absorpt_correction_T_max  1

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'Nova (Cu) X-ray Source'
_diffrn_ambient_temperature      106.0(6)
_diffrn_ambient_environment      N~2~
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Ruby
_diffrn_detector_area_resol_mean 10.4323
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_ub_11      -0.1216432
_diffrn_orient_matrix_ub_12      0.1389047
_diffrn_orient_matrix_ub_13      0.0098021
_diffrn_orient_matrix_ub_21      0.1027306
_diffrn_orient_matrix_ub_22      0.0668588
_diffrn_orient_matrix_ub_23      -0.0451279
_diffrn_orient_matrix_ub_31      -0.079768
_diffrn_orient_matrix_ub_32      -0.0083517
_diffrn_orient_matrix_ub_33      -0.0689345
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_av_unetI/netI     0.0515
_diffrn_reflns_number            17213
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.431
_diffrn_reflns_theta_max         75.866
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.986
_reflns_Friedel_coverage         0
_reflns_number_total             7051
_reflns_number_gt                6666
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   mixed

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0661P)²+13.2816P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7051
_refine_ls_number_parameters     522
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0607
_refine_ls_wR_factor_ref         0.1779
_refine_ls_wR_factor_gt          0.1765
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_restrained_S_all      1.126
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.873
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.154

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.3528 1.82 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 0.0696(7) 0.5055(6) 0.3570(3) 0.0251(11) Uani 1 1 d . . . . .
H1 H 0.047026 0.473684 0.315919 0.03 Uiso 1 1 calc R U . . .
C2 C -0.0246(7) 0.6337(6) 0.3762(3) 0.0275(12) Uani 1 1 d . . . . .
H2 H -0.109445 0.683758 0.348614 0.033 Uiso 1 1 calc R U . . .
C3 C 0.0089(7) 0.6840(6) 0.4351(3) 0.0277(12) Uani 1 1 d . . . . .
H3 H -0.05093 0.769422 0.447079 0.033 Uiso 1 1 calc R U . . .
C4 C 0.1336(6) 0.6063(6) 0.4773(3) 0.0226(11) Uani 1 1 d . . . . .
C5 C 0.1789(7) 0.6485(6) 0.5410(3) 0.0275(12) Uani 1 1 d . . . . .
H5 H 0.125751 0.734228 0.554644 0.033 Uiso 1 1 calc R U . . .
C6 C 0.2975(7) 0.5658(6) 0.5813(3) 0.0263(12) Uani 1 1 d . . . . .
H6 H 0.324226 0.596083 0.621972 0.032 Uiso 1 1 calc R U . . .
C7 C 0.3826(6) 0.4327(6) 0.5625(3) 0.0226(11) Uani 1 1 d . . . . .
C8 C 0.5063(7) 0.3417(7) 0.6026(3) 0.0287(13) Uani 1 1 d . . . . .
H8 H 0.538563 0.366747 0.64358 0.034 Uiso 1 1 calc R U . . .
C9 C 0.5782(7) 0.2160(6) 0.5804(3) 0.0279(12) Uani 1 1 d . . . . .
H9 H 0.658967 0.154751 0.606753 0.033 Uiso 1 1 calc R U . . .
C10 C 0.5302(7) 0.1795(6) 0.5181(3) 0.0247(11) Uani 1 1 d . . . . .
H10 H 0.57985 0.093518 0.504065 0.03 Uiso 1 1 calc R U . . .
C11 C 0.3429(6) 0.3898(5) 0.5001(3) 0.0194(10) Uani 1 1 d . . . . .
C12 C 0.2201(6) 0.4767(6) 0.4565(3) 0.0210(10) Uani 1 1 d . . . . .
C13 C -0.4667(7) -0.5392(6) 0.1440(3) 0.0225(11) Uani 1 1 d . . . . .
H13 H -0.532974 -0.511209 0.183203 0.027 Uiso 1 1 calc R U . . .
C14 C -0.4207(7) -0.6744(6) 0.1288(3) 0.0284(12) Uani 1 1 d . . . . .
H14 H -0.458283 -0.734043 0.156816 0.034 Uiso 1 1 calc R U . . .
C15 C -0.3196(7) -0.7172(6) 0.0720(3) 0.0272(12) Uani 1 1 d . . . . .
H15 H -0.28657 -0.806727 0.062253 0.033 Uiso 1 1 calc R U . . .
C16 C -0.2660(7) -0.6257(6) 0.0286(3) 0.0243(11) Uani 1 1 d . . . . .
C17 C -0.1615(7) -0.6594(6) -0.0320(3) 0.0276(12) Uani 1 1 d . . . . .
H17 H -0.119282 -0.748437 -0.042394 0.033 Uiso 1 1 calc R U . . .
C18 C -0.1229(7) -0.5649(6) -0.0742(3) 0.0264(12) Uani 1 1 d . . . . .
H18 H -0.056212 -0.589903 -0.113628 0.032 Uiso 1 1 calc R U . . .
C19 C -0.1831(7) -0.4262(6) -0.0593(3) 0.0236(11) Uani 1 1 d . . . . .
C20 C -0.1526(7) -0.3219(7) -0.1021(3) 0.0290(12) Uani 1 1 d . . . . .
H20 H -0.090718 -0.339703 -0.143541 0.035 Uiso 1 1 calc R U . . .
C21 C -0.2153(8) -0.1934(6) -0.0821(3) 0.0320(13) Uani 1 1 d . . . . .
H21 H -0.196585 -0.1234 -0.110309 0.038 Uiso 1 1 calc R U . . .
C22 C -0.3076(7) -0.1674(6) -0.0191(3) 0.0268(12) Uani 1 1 d . . . . .
H22 H -0.348544 -0.079862 -0.006172 0.032 Uiso 1 1 calc R U . . .
C23 C -0.2786(6) -0.3922(6) 0.0019(3) 0.0203(10) Uani 1 1 d . . . . .
C24 C -0.3218(6) -0.4919(5) 0.0468(3) 0.0203(10) Uani 1 1 d . . . . .
C25 C 0.1286(6) 0.1127(6) 0.3683(3) 0.0209(11) Uani 1 1 d . . . . .
C26 C 0.1689(6) 0.1591(6) 0.2901(3) 0.0211(11) Uani 1 1 d . . . . .
C27 C 0.6245(6) 0.0567(5) 0.3483(3) 0.0201(10) Uani 1 1 d . . . . .
C28 C 0.6282(6) 0.1974(5) 0.3177(3) 0.0190(10) Uani 1 1 d . . . . .
C29 C -0.1998(6) -0.2231(5) 0.1864(3) 0.0194(10) Uani 1 1 d . . . . .
C30 C -0.3109(6) -0.0812(5) 0.1641(3) 0.0194(10) Uani 1 1 d . . . . .
C31 C -0.6915(6) -0.2066(5) 0.2178(3) 0.0195(10) Uani 1 1 d . . . . .
C32 C -0.7569(6) -0.1452(5) 0.1422(3) 0.0189(10) Uani 1 1 d . . . . .
N1 N 0.1893(5) 0.4293(5) 0.3959(2) 0.0203(9) Uani 1 1 d . . . . .
N2 N 0.4155(5) 0.2640(5) 0.4782(2) 0.0201(9) Uani 1 1 d . . . . .
N3 N -0.4180(5) -0.4505(5) 0.1040(3) 0.0207(9) Uani 1 1 d . . . . .
N4 N -0.3380(5) -0.2636(5) 0.0222(2) 0.0212(9) Uani 1 1 d . . . . .
O1 O 0.1164(5) 0.5860(5) 0.7614(3) 0.0170(9) Uani 0.75 1 d D . P A 1
O1B O -0.0983(18) -1.0194(16) 0.0215(8) 0.024(3) Uani 0.25 1 d . . P B 2
O2 O 0.1870(4) 0.1539(4) 0.4176(2) 0.0225(8) Uani 1 1 d . . . . .
O3 O 0.0472(4) 0.0430(4) 0.3765(2) 0.0235(8) Uani 1 1 d . . . . .
O4 O 0.1193(5) 0.1249(4) 0.2387(2) 0.0252(8) Uani 1 1 d . . . . .
O5 O 0.2569(5) 0.2310(4) 0.2869(2) 0.0222(8) Uani 1 1 d . . . . .
O6 O 0.4946(4) 0.0598(4) 0.3783(2) 0.0212(8) Uani 1 1 d . . . . .
O7 O 0.7390(5) -0.0438(4) 0.3429(2) 0.0257(8) Uani 1 1 d . . . . .
O8 O 0.7444(4) 0.2068(4) 0.2859(2) 0.0224(8) Uani 1 1 d . . . . .
O9 O 0.5039(4) 0.2950(4) 0.3300(2) 0.0208(8) Uani 1 1 d . . . . .
O10 O -0.2403(4) -0.3189(4) 0.1672(2) 0.0192(7) Uani 1 1 d . . . . .
O11 O -0.0814(4) -0.2383(4) 0.2188(2) 0.0226(8) Uani 1 1 d . . . . .
O12 O -0.2785(5) 0.0168(4) 0.1768(2) 0.0251(8) Uani 1 1 d . . . . .
O13 O -0.4336(4) -0.0777(4) 0.1330(2) 0.0206(7) Uani 1 1 d . . . . .
O14 O -0.5445(4) -0.2703(4) 0.2168(2) 0.0220(8) Uani 1 1 d . . . . .
O15 O -0.7769(5) -0.1930(4) 0.2712(2) 0.0251(8) Uani 1 1 d . . . . .
O16 O -0.8942(4) -0.0777(4) 0.1368(2) 0.0205(7) Uani 1 1 d . . . . .
O17 O -0.6576(4) -0.1712(4) 0.0901(2) 0.0205(7) Uani 1 1 d . . . . .
Cr1 Cr 0.33891(10) 0.23824(9) 0.38020(5) 0.0179(2) Uani 1 1 d . . . . .
Cr2 Cr -0.44393(10) -0.25568(8) 0.12261(5) 0.0170(2) Uani 1 1 d . . . . .
Sr1 Sr -0.04628(5) -0.02165(5) 0.25825(3) 0.02055(15) Uani 1 1 d . . . . .
H1B H 0.170(6) 0.504(3) 0.775(3) 0.010(14) Uiso 1 1 d D . . . .
H1A H 0.175(7) 0.635(6) 0.747(4) 0.04(2) Uiso 1 1 d D . . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C1 N1 1.325(7) . ?
C1 C2 1.413(9) . ?
C1 H1 0.93 . ?
C2 C3 1.363(9) . ?
C2 H2 0.93 . ?
C3 C4 1.394(9) . ?
C3 H3 0.93 . ?
C4 C12 1.418(8) . ?
C4 C5 1.440(8) . ?
C5 C6 1.354(9) . ?
C5 H5 0.93 . ?
C6 C7 1.434(8) . ?
C6 H6 0.93 . ?
C7 C11 1.402(8) . ?
C7 C8 1.411(8) . ?
C8 C9 1.369(9) . ?
C8 H8 0.93 . ?
C9 C10 1.400(9) . ?
C9 H9 0.93 . ?
C10 N2 1.336(7) . ?
C10 H10 0.93 . ?
C11 N2 1.369(7) . ?
C11 C12 1.426(8) . ?
C12 N1 1.364(7) . ?
C13 N3 1.332(7) . ?
C13 C14 1.409(8) . ?
C13 H13 0.93 . ?
C14 C15 1.377(9) . ?
C14 H14 0.93 . ?
C15 C16 1.409(9) . ?
C15 H15 0.93 . ?
C16 C24 1.409(8) . ?
C16 C17 1.434(9) . ?
C17 C18 1.350(9) . ?
C17 H17 0.93 . ?
C18 C19 1.440(8) . ?
C18 H18 0.93 . ?
C19 C23 1.400(8) . ?
C19 C20 1.404(9) . ?
C20 C21 1.372(9) . ?
C20 H20 0.93 . ?
C21 C22 1.405(8) . ?
C21 H21 0.93 . ?
C22 N4 1.321(8) . ?
C22 H22 0.93 . ?
C23 N4 1.374(7) . ?
C23 C24 1.440(8) . ?
C24 N3 1.356(7) . ?
C25 O3 1.220(7) . ?
C25 O2 1.274(7) . ?
C25 C26 1.561(8) . ?
C25 Sr1 3.375(5) . ?
C26 O4 1.221(7) . ?
C26 O5 1.289(7) . ?
C26 Sr1 3.314(5) . ?
C27 O7 1.227(7) . ?
C27 O6 1.285(7) . ?
C27 C28 1.563(7) . ?
C27 Sr1 3.271(5) 1_655 ?
C28 O8 1.226(7) . ?
C28 O9 1.284(7) . ?
C28 Sr1 3.319(6) 1_655 ?
C29 O11 1.231(7) . ?
C29 O10 1.288(7) . ?
C29 C30 1.539(7) . ?
C29 Sr1 3.359(5) . ?
C30 O12 1.228(7) . ?
C30 O13 1.286(7) . ?
C30 Sr1 3.345(5) . ?
C31 O15 1.224(7) . ?
C31 O14 1.290(7) . ?
C31 C32 1.558(7) . ?
C31 Sr1 3.277(5) 1_455 ?
C32 O16 1.225(7) . ?
C32 O17 1.281(7) . ?
C32 Sr1 3.324(6) 1_455 ?
N1 Cr1 2.069(5) . ?
N2 Cr1 2.071(5) . ?
N3 Cr2 2.070(5) . ?
N4 Cr2 2.060(5) . ?
O1 H1B 0.867(19) . ?
O1 H1A 0.88(2) . ?
O2 Cr1 1.972(4) . ?
O3 Sr1 2.645(4) . ?
O4 Sr1 2.524(4) . ?
O5 Cr1 1.954(4) . ?
O6 Cr1 1.952(4) . ?
O7 Sr1 2.524(4) 1_655 ?
O8 Sr1 2.613(4) 1_655 ?
O9 Cr1 1.980(4) . ?
O10 Cr2 1.964(4) . ?
O11 Sr1 2.619(4) . ?
O12 Sr1 2.586(4) . ?
O13 Cr2 1.962(4) . ?
O14 Cr2 1.959(4) . ?
O15 Sr1 2.534(4) 1_455 ?
O16 Sr1 2.607(4) 1_455 ?
O17 Cr2 1.965(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 C1 C2 122.0(5) . . ?
N1 C1 H1 119 . . ?
C2 C1 H1 119 . . ?
C3 C2 C1 120.0(6) . . ?
C3 C2 H2 120 . . ?
C1 C2 H2 120 . . ?
C2 C3 C4 119.5(5) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C12 117.6(5) . . ?
C3 C4 C5 124.3(5) . . ?
C12 C4 C5 118.1(5) . . ?
C6 C5 C4 121.3(5) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 121.4(5) . . ?
C5 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C11 C7 C8 117.4(5) . . ?
C11 C7 C6 118.5(5) . . ?
C8 C7 C6 124.0(5) . . ?
C9 C8 C7 119.2(5) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C8 C9 C10 120.0(5) . . ?
C8 C9 H9 120 . . ?
C10 C9 H9 120 . . ?
N2 C10 C9 122.3(6) . . ?
N2 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
N2 C11 C7 123.0(5) . . ?
N2 C11 C12 116.4(5) . . ?
C7 C11 C12 120.6(5) . . ?
N1 C12 C4 122.5(5) . . ?
N1 C12 C11 117.6(5) . . ?
C4 C12 C11 120.0(5) . . ?
N3 C13 C14 121.9(6) . . ?
N3 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C15 C14 C13 119.3(6) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 120.1(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C24 C16 C15 116.4(5) . . ?
C24 C16 C17 118.9(5) . . ?
C15 C16 C17 124.7(5) . . ?
C18 C17 C16 121.6(5) . . ?
C18 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C17 C18 C19 121.1(6) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C23 C19 C20 117.4(5) . . ?
C23 C19 C18 118.2(5) . . ?
C20 C19 C18 124.4(5) . . ?
C21 C20 C19 119.2(6) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 120.1(6) . . ?
C20 C21 H21 120 . . ?
C22 C21 H21 120 . . ?
N4 C22 C21 122.0(5) . . ?
N4 C22 H22 119 . . ?
C21 C22 H22 119 . . ?
N4 C23 C19 122.9(5) . . ?
N4 C23 C24 116.1(5) . . ?
C19 C23 C24 121.0(5) . . ?
N3 C24 C16 123.4(5) . . ?
N3 C24 C23 117.6(5) . . ?
C16 C24 C23 119.0(5) . . ?
O3 C25 O2 126.9(5) . . ?
O3 C25 C26 118.7(5) . . ?
O2 C25 C26 114.3(5) . . ?
O3 C25 Sr1 44.4(3) . . ?
O2 C25 Sr1 171.3(4) . . ?
C26 C25 Sr1 74.3(3) . . ?
O4 C26 O5 126.0(5) . . ?
O4 C26 C25 119.8(5) . . ?
O5 C26 C25 114.2(5) . . ?
O4 C26 Sr1 41.1(3) . . ?
O5 C26 Sr1 167.0(4) . . ?
C25 C26 Sr1 78.7(3) . . ?
O7 C27 O6 125.8(5) . . ?
O7 C27 C28 120.4(5) . . ?
O6 C27 C28 113.8(5) . . ?
O7 C27 Sr1 43.4(3) . 1_655 ?
O6 C27 Sr1 165.6(4) . 1_655 ?
C28 C27 Sr1 78.0(3) . 1_655 ?
O8 C28 O9 125.9(5) . . ?
O8 C28 C27 119.8(5) . . ?
O9 C28 C27 114.3(5) . . ?
O8 C28 Sr1 45.7(3) . 1_655 ?
O9 C28 Sr1 169.5(4) . 1_655 ?
C27 C28 Sr1 74.6(3) . 1_655 ?
O11 C29 O10 125.0(5) . . ?
O11 C29 C30 120.1(5) . . ?
O10 C29 C30 114.8(4) . . ?
O11 C29 Sr1 44.1(3) . . ?
O10 C29 Sr1 168.5(4) . . ?
C30 C29 Sr1 76.2(3) . . ?
O12 C30 O13 125.6(5) . . ?
O12 C30 C29 119.7(5) . . ?
O13 C30 C29 114.6(4) . . ?
O12 C30 Sr1 43.0(3) . . ?
O13 C30 Sr1 166.5(4) . . ?
C29 C30 Sr1 77.2(3) . . ?
O15 C31 O14 125.9(5) . . ?
O15 C31 C32 120.7(5) . . ?
O14 C31 C32 113.4(5) . . ?
O15 C31 Sr1 43.5(3) . 1_455 ?
O14 C31 Sr1 165.7(4) . 1_455 ?
C32 C31 Sr1 78.1(3) . 1_455 ?
O16 C32 O17 125.8(5) . . ?
O16 C32 C31 119.3(5) . . ?
O17 C32 C31 114.9(5) . . ?
O16 C32 Sr1 45.1(3) . 1_455 ?
O17 C32 Sr1 168.8(4) . 1_455 ?
C31 C32 Sr1 74.7(3) . 1_455 ?
C1 N1 C12 118.4(5) . . ?
C1 N1 Cr1 128.9(4) . . ?
C12 N1 Cr1 112.7(4) . . ?
C10 N2 C11 118.0(5) . . ?
C10 N2 Cr1 128.8(4) . . ?
C11 N2 Cr1 113.0(4) . . ?
C13 N3 C24 118.8(5) . . ?
C13 N3 Cr2 129.1(4) . . ?
C24 N3 Cr2 111.6(4) . . ?
C22 N4 C23 118.4(5) . . ?
C22 N4 Cr2 129.1(4) . . ?
C23 N4 Cr2 112.1(4) . . ?
H1B O1 H1A 113(4) . . ?
C25 O2 Cr1 113.1(3) . . ?
C25 O3 Sr1 116.8(4) . . ?
C26 O4 Sr1 120.4(4) . . ?
C26 O5 Cr1 113.2(3) . . ?
C27 O6 Cr1 115.0(3) . . ?
C27 O7 Sr1 117.1(4) . 1_655 ?
C28 O8 Sr1 114.7(3) . 1_655 ?
C28 O9 Cr1 113.7(3) . . ?
C29 O10 Cr2 113.1(3) . . ?
C29 O11 Sr1 116.8(3) . . ?
C30 O12 Sr1 118.1(3) . . ?
C30 O13 Cr2 113.5(3) . . ?
C31 O14 Cr2 113.9(3) . . ?
C31 O15 Sr1 117.1(3) . 1_455 ?
C32 O16 Sr1 115.5(3) . 1_455 ?
C32 O17 Cr2 113.1(3) . . ?
O6 Cr1 O5 93.45(17) . . ?
O6 Cr1 O2 88.79(16) . . ?
O5 Cr1 O2 83.50(16) . . ?
O6 Cr1 O9 83.13(16) . . ?
O5 Cr1 O9 89.49(16) . . ?
O2 Cr1 O9 168.98(16) . . ?
O6 Cr1 N1 171.58(18) . . ?
O5 Cr1 N1 94.93(17) . . ?
O2 Cr1 N1 93.01(18) . . ?
O9 Cr1 N1 96.06(17) . . ?
O6 Cr1 N2 91.44(18) . . ?
O5 Cr1 N2 174.93(18) . . ?
O2 Cr1 N2 97.97(17) . . ?
O9 Cr1 N2 89.75(17) . . ?
N1 Cr1 N2 80.17(18) . . ?
O14 Cr2 O13 94.91(17) . . ?
O14 Cr2 O10 90.71(16) . . ?
O13 Cr2 O10 83.63(15) . . ?
O14 Cr2 O17 83.41(16) . . ?
O13 Cr2 O17 89.54(16) . . ?
O10 Cr2 O17 170.59(16) . . ?
O14 Cr2 N4 173.02(18) . . ?
O13 Cr2 N4 92.06(18) . . ?
O10 Cr2 N4 89.75(17) . . ?
O17 Cr2 N4 96.98(17) . . ?
O14 Cr2 N3 92.44(18) . . ?
O13 Cr2 N3 170.37(18) . . ?
O10 Cr2 N3 90.08(17) . . ?
O17 Cr2 N3 97.49(17) . . ?
N4 Cr2 N3 80.60(19) . . ?
O4 Sr1 O7 137.93(13) . 1_455 ?
O4 Sr1 O15 78.36(14) . 1_655 ?
O7 Sr1 O15 119.56(13) 1_455 1_655 ?
O4 Sr1 O12 120.75(13) . . ?
O7 Sr1 O12 74.80(13) 1_455 . ?
O15 Sr1 O12 135.67(13) 1_655 . ?
O4 Sr1 O16 72.98(12) . 1_655 ?
O7 Sr1 O16 148.17(13) 1_455 1_655 ?
O15 Sr1 O16 65.53(12) 1_655 1_655 ?
O12 Sr1 O16 81.63(12) . 1_655 ?
O4 Sr1 O8 81.34(13) . 1_455 ?
O7 Sr1 O8 65.87(12) 1_455 1_455 ?
O15 Sr1 O8 151.43(13) 1_655 1_455 ?
O12 Sr1 O8 72.46(12) . 1_455 ?
O16 Sr1 O8 126.49(12) 1_655 1_455 ?
O4 Sr1 O11 143.41(13) . . ?
O7 Sr1 O11 78.37(13) 1_455 . ?
O15 Sr1 O11 77.41(13) 1_655 . ?
O12 Sr1 O11 64.22(12) . . ?
O16 Sr1 O11 72.19(12) 1_655 . ?
O8 Sr1 O11 129.45(12) 1_455 . ?
O4 Sr1 O3 64.33(12) . . ?
O7 Sr1 O3 81.65(13) 1_455 . ?
O15 Sr1 O3 78.02(13) 1_655 . ?
O12 Sr1 O3 145.57(13) . . ?
O16 Sr1 O3 128.22(12) 1_655 . ?
O8 Sr1 O3 75.14(12) 1_455 . ?
O11 Sr1 O3 134.76(13) . . ?
O4 Sr1 C27 124.69(13) . 1_455 ?
O7 Sr1 C27 19.50(13) 1_455 1_455 ?
O15 Sr1 C27 137.65(13) 1_655 1_455 ?
O12 Sr1 C27 67.48(13) . 1_455 ?
O16 Sr1 C27 149.02(12) 1_655 1_455 ?
O8 Sr1 C27 46.91(13) 1_455 1_455 ?
O11 Sr1 C27 91.46(13) . 1_455 ?
O3 Sr1 C27 82.00(12) . 1_455 ?
O4 Sr1 C31 70.74(13) . 1_655 ?
O7 Sr1 C31 136.92(13) 1_455 1_655 ?
O15 Sr1 C31 19.43(13) 1_655 1_655 ?
O12 Sr1 C31 123.42(13) . 1_655 ?
O16 Sr1 C31 46.61(12) 1_655 1_655 ?
O8 Sr1 C31 152.04(13) 1_455 1_655 ?
O11 Sr1 C31 77.38(12) . 1_655 ?
O3 Sr1 C31 90.90(13) . 1_655 ?
C27 Sr1 C31 156.09(14) 1_455 1_655 ?
O4 Sr1 C26 18.54(13) . . ?
O7 Sr1 C26 122.72(14) 1_455 . ?
O15 Sr1 C26 76.31(14) 1_655 . ?
O12 Sr1 C26 134.37(13) . . ?
O16 Sr1 C26 89.08(13) 1_655 . ?
O8 Sr1 C26 78.04(13) 1_455 . ?
O11 Sr1 C26 152.32(13) . . ?
O3 Sr1 C26 45.80(13) . . ?
C27 Sr1 C26 113.94(13) 1_455 . ?
C31 Sr1 C26 74.95(13) 1_655 . ?
O4 Sr1 C28 100.17(13) . 1_455 ?
O7 Sr1 C28 46.67(13) 1_455 1_455 ?
O15 Sr1 C28 154.68(12) 1_655 1_455 ?
O12 Sr1 C28 66.91(12) . 1_455 ?
O16 Sr1 C28 138.72(12) 1_655 1_455 ?
O8 Sr1 C28 19.61(13) 1_455 1_455 ?
O11 Sr1 C28 113.31(12) . 1_455 ?
O3 Sr1 C28 78.66(12) . 1_455 ?
C27 Sr1 C28 27.42(13) 1_455 1_455 ?
C31 Sr1 C28 168.56(13) 1_655 1_455 ?
C26 Sr1 C28 94.24(13) . 1_455 ?

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
N1 C1 C2 C3 1.8(9) . . . . ?
C1 C2 C3 C4 -2.0(9) . . . . ?
C2 C3 C4 C12 -0.2(8) . . . . ?
C2 C3 C4 C5 -179.5(6) . . . . ?
C3 C4 C5 C6 177.2(6) . . . . ?
C12 C4 C5 C6 -2.0(8) . . . . ?
C4 C5 C6 C7 -0.2(9) . . . . ?
C5 C6 C7 C11 1.4(8) . . . . ?
C5 C6 C7 C8 -179.5(6) . . . . ?
C11 C7 C8 C9 -1.9(8) . . . . ?
C6 C7 C8 C9 179.0(6) . . . . ?
C7 C8 C9 C10 0.8(9) . . . . ?
C8 C9 C10 N2 0.5(9) . . . . ?
C8 C7 C11 N2 1.8(8) . . . . ?
C6 C7 C11 N2 -179.0(5) . . . . ?
C8 C7 C11 C12 -179.4(5) . . . . ?
C6 C7 C11 C12 -0.2(8) . . . . ?
C3 C4 C12 N1 2.8(8) . . . . ?
C5 C4 C12 N1 -177.9(5) . . . . ?
C3 C4 C12 C11 -176.2(5) . . . . ?
C5 C4 C12 C11 3.1(8) . . . . ?
N2 C11 C12 N1 -2.2(7) . . . . ?
C7 C11 C12 N1 178.9(5) . . . . ?
N2 C11 C12 C4 176.8(5) . . . . ?
C7 C11 C12 C4 -2.0(8) . . . . ?
N3 C13 C14 C15 1.6(9) . . . . ?
C13 C14 C15 C16 -1.6(9) . . . . ?
C14 C15 C16 C24 -0.2(8) . . . . ?
C14 C15 C16 C17 -179.6(6) . . . . ?
C24 C16 C17 C18 -4.0(8) . . . . ?
C15 C16 C17 C18 175.5(6) . . . . ?
C16 C17 C18 C19 1.2(9) . . . . ?
C17 C18 C19 C23 2.4(8) . . . . ?
C17 C18 C19 C20 -177.7(6) . . . . ?
C23 C19 C20 C21 0.7(9) . . . . ?
C18 C19 C20 C21 -179.3(6) . . . . ?
C19 C20 C21 C22 0.6(10) . . . . ?
C20 C21 C22 N4 -0.5(10) . . . . ?
C20 C19 C23 N4 -2.1(8) . . . . ?
C18 C19 C23 N4 177.9(5) . . . . ?
C20 C19 C23 C24 177.0(5) . . . . ?
C18 C19 C23 C24 -3.1(8) . . . . ?
C15 C16 C24 N3 2.1(8) . . . . ?
C17 C16 C24 N3 -178.4(5) . . . . ?
C15 C16 C24 C23 -176.3(5) . . . . ?
C17 C16 C24 C23 3.2(8) . . . . ?
N4 C23 C24 N3 0.9(7) . . . . ?
C19 C23 C24 N3 -178.2(5) . . . . ?
N4 C23 C24 C16 179.4(5) . . . . ?
C19 C23 C24 C16 0.3(8) . . . . ?
O3 C25 C26 O4 -0.2(8) . . . . ?
O2 C25 C26 O4 179.8(5) . . . . ?
Sr1 C25 C26 O4 0.3(5) . . . . ?
O3 C25 C26 O5 -179.2(5) . . . . ?
O2 C25 C26 O5 0.8(7) . . . . ?
Sr1 C25 C26 O5 -178.7(5) . . . . ?
O3 C25 C26 Sr1 -0.5(4) . . . . ?
O2 C25 C26 Sr1 179.5(4) . . . . ?
O7 C27 C28 O8 2.6(8) . . . . ?
O6 C27 C28 O8 -177.8(5) . . . . ?
Sr1 C27 C28 O8 -6.6(4) 1_655 . . . ?
O7 C27 C28 O9 -176.6(5) . . . . ?
O6 C27 C28 O9 3.0(7) . . . . ?
Sr1 C27 C28 O9 174.2(4) 1_655 . . . ?
O7 C27 C28 Sr1 9.2(4) . . . 1_655 ?
O6 C27 C28 Sr1 -171.2(4) . . . 1_655 ?
O11 C29 C30 O12 2.2(8) . . . . ?
O10 C29 C30 O12 -176.5(5) . . . . ?
Sr1 C29 C30 O12 6.6(4) . . . . ?
O11 C29 C30 O13 -177.4(5) . . . . ?
O10 C29 C30 O13 3.8(7) . . . . ?
Sr1 C29 C30 O13 -173.1(4) . . . . ?
O11 C29 C30 Sr1 -4.4(4) . . . . ?
O10 C29 C30 Sr1 176.9(4) . . . . ?
O15 C31 C32 O16 3.1(8) . . . . ?
O14 C31 C32 O16 -177.0(5) . . . . ?
Sr1 C31 C32 O16 -6.0(4) 1_455 . . . ?
O15 C31 C32 O17 -177.0(5) . . . . ?
O14 C31 C32 O17 2.8(7) . . . . ?
Sr1 C31 C32 O17 173.8(4) 1_455 . . . ?
O15 C31 C32 Sr1 9.1(4) . . . 1_455 ?
O14 C31 C32 Sr1 -171.0(4) . . . 1_455 ?
C2 C1 N1 C12 0.7(8) . . . . ?
C2 C1 N1 Cr1 178.2(4) . . . . ?
C4 C12 N1 C1 -3.0(8) . . . . ?
C11 C12 N1 C1 176.0(5) . . . . ?
C4 C12 N1 Cr1 179.0(4) . . . . ?
C11 C12 N1 Cr1 -1.9(6) . . . . ?
C9 C10 N2 C11 -0.6(8) . . . . ?
C9 C10 N2 Cr1 173.9(4) . . . . ?
C7 C11 N2 C10 -0.6(8) . . . . ?
C12 C11 N2 C10 -179.4(5) . . . . ?
C7 C11 N2 Cr1 -176.0(4) . . . . ?
C12 C11 N2 Cr1 5.2(6) . . . . ?
C14 C13 N3 C24 0.2(8) . . . . ?
C14 C13 N3 Cr2 -170.8(4) . . . . ?
C16 C24 N3 C13 -2.1(8) . . . . ?
C23 C24 N3 C13 176.3(5) . . . . ?
C16 C24 N3 Cr2 170.4(4) . . . . ?
C23 C24 N3 Cr2 -11.2(6) . . . . ?
C21 C22 N4 C23 -0.9(9) . . . . ?
C21 C22 N4 Cr2 171.0(5) . . . . ?
C19 C23 N4 C22 2.2(8) . . . . ?
C24 C23 N4 C22 -176.9(5) . . . . ?
C19 C23 N4 Cr2 -171.0(4) . . . . ?
C24 C23 N4 Cr2 9.9(6) . . . . ?
O3 C25 O2 Cr1 170.3(5) . . . . ?
C26 C25 O2 Cr1 -9.7(6) . . . . ?
O2 C25 O3 Sr1 -179.2(4) . . . . ?
C26 C25 O3 Sr1 0.7(6) . . . . ?
O5 C26 O4 Sr1 178.4(4) . . . . ?
C25 C26 O4 Sr1 -0.5(7) . . . . ?
O4 C26 O5 Cr1 -170.3(5) . . . . ?
C25 C26 O5 Cr1 8.6(6) . . . . ?
Sr1 C26 O5 Cr1 -165.5(15) . . . . ?
O7 C27 O6 Cr1 178.0(5) . . . . ?
C28 C27 O6 Cr1 -1.5(6) . . . . ?
Sr1 C27 O6 Cr1 -144.5(14) 1_655 . . . ?
O6 C27 O7 Sr1 167.3(4) . . . 1_655 ?
C28 C27 O7 Sr1 -13.2(6) . . . 1_655 ?
O9 C28 O8 Sr1 -171.9(4) . . . 1_655 ?
C27 C28 O8 Sr1 8.9(6) . . . 1_655 ?
O8 C28 O9 Cr1 178.0(4) . . . . ?
C27 C28 O9 Cr1 -2.9(5) . . . . ?
Sr1 C28 O9 Cr1 144.5(18) 1_655 . . . ?
O11 C29 O10 Cr2 175.9(4) . . . . ?
C30 C29 O10 Cr2 -5.5(6) . . . . ?
Sr1 C29 O10 Cr2 159.2(17) . . . . ?
O10 C29 O11 Sr1 -175.3(4) . . . . ?
C30 C29 O11 Sr1 6.1(6) . . . . ?
O13 C30 O12 Sr1 170.2(4) . . . . ?
C29 C30 O12 Sr1 -9.5(6) . . . . ?
O12 C30 O13 Cr2 -179.8(4) . . . . ?
C29 C30 O13 Cr2 -0.1(6) . . . . ?
Sr1 C30 O13 Cr2 -150.0(14) . . . . ?
O15 C31 O14 Cr2 -174.4(4) . . . . ?
C32 C31 O14 Cr2 5.8(5) . . . . ?
Sr1 C31 O14 Cr2 -136.2(14) 1_455 . . . ?
O14 C31 O15 Sr1 167.2(4) . . . 1_455 ?
C32 C31 O15 Sr1 -13.1(6) . . . 1_455 ?
O17 C32 O16 Sr1 -171.6(4) . . . 1_455 ?
C31 C32 O16 Sr1 8.2(6) . . . 1_455 ?
O16 C32 O17 Cr2 170.0(4) . . . . ?
C31 C32 O17 Cr2 -9.8(5) . . . . ?
Sr1 C32 O17 Cr2 137.8(17) 1_455 . . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
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# END of CIF
