# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_cxy3236_0m
_database_code_depnum_ccdc_archive 'CCDC 2205183'
loop_
_audit_author_name
_audit_author_address
'Li Ji'
;Southern University of Science and Technology
China
;
_audit_update_record             
;
2022-09-04 deposited with the CCDC.	2023-01-09 downloaded from the CCDC.
;
_audit_creation_date             2021-04-02
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H47 Cl3 Cr2 O3 P2, 2(C4 H8 O)'
_chemical_formula_sum            'C50 H63 Cl3 Cr2 O5 P2'
_chemical_formula_weight         1016.29
_chemical_melting_point          ?
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'
Cl Cl 0.3639 0.7018 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.5840(9)
_cell_length_b                   13.1523(5)
_cell_length_c                   17.7764(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.481(2)
_cell_angle_gamma                90
_cell_volume                     5044.7(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9655
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      68.33
_cell_measurement_theta_min      3.94
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.958
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1259 before and 0.0712 after correction.
The Ratio of minimum to maximum transmission is 0.5363.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1106
_diffrn_reflns_av_unetI/netI     0.0360
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            53396
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.548
_diffrn_reflns_theta_min         3.936
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.11
_diffrn_source_power             0.0555
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4390
_reflns_number_total             4633
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.660
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         4633
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.064
_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)+(0.0564P)²+3.5872P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.0929
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C24-C23 \\sim C24-C23A \\sim C23A-C22A \\sim C23-C22 \\sim C22-C21 \\sim
C22A-C21
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C22) = Uanis(C22A)
Uanis(C23) = Uanis(C23A)
4. Others
 Sof(H21C)=Sof(H21D)=Sof(H24C)=Sof(H24D)=Sof(C23A)=Sof(H23C)=Sof(H23D)=
 Sof(C22A)=Sof(H22C)=Sof(H22D)=1-FVAR(1)
 Sof(H21A)=Sof(H21B)=Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(H24A)=Sof(H24B)=FVAR(1)
 Fixed Sof: C11(0.5) H11A(0.5) H11B(0.5) H11C(0.5) C12(0.5) H12A(0.5)
 H12B(0.5) H12C(0.5) C13(0.5) H13A(0.5) H13B(0.5) H13C(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C21(H21C,H21D), C22(H22A,H22B), C23(H23A,H23B), C24(H24A,
 H24B), C24(H24C,H24D), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,H27B),
 C28(H28A,H28B), C23A(H23C,H23D), C22A(H22C,H22D)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C15(H15), C16(H16), C17(H17),
 C18(H18), C19(H19)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Cr1 Cr 0.56217(2) 0.46144(2) 0.69931(2) 0.01568(10) Uani 1 1 d . . . . .
Cl1 Cl 0.62090(2) 0.36525(3) 0.61928(2) 0.02585(13) Uani 1 1 d . . . . .
P1 P 0.60000(2) 0.63105(3) 0.66090(2) 0.01520(12) Uani 1 1 d . . . . .
Cl2 Cl 0.500000 0.32580(4) 0.750000 0.02064(14) Uani 1 2 d S T P . .
O1 O 0.500000 0.55164(12) 0.750000 0.0163(3) Uani 1 2 d S T P . .
O2 O 0.62235(6) 0.47655(10) 0.80800(7) 0.0242(3) Uani 1 1 d . . . . .
O3 O 0.65013(9) 0.8652(2) 0.90609(10) 0.0654(6) Uani 1 1 d . . . . .
C1 C 0.67677(7) 0.65442(13) 0.70163(9) 0.0179(3) Uani 1 1 d . . . . .
C2 C 0.68950(8) 0.72632(14) 0.75704(10) 0.0206(4) Uani 1 1 d . . . . .
H2 H 0.657425 0.768916 0.774645 0.025 Uiso 1 1 calc R U . . .
C3 C 0.74979(8) 0.73567(15) 0.78675(10) 0.0249(4) Uani 1 1 d . . . . .
H3 H 0.758623 0.784400 0.824994 0.030 Uiso 1 1 calc R U . . .
C4 C 0.79670(8) 0.67426(15) 0.76074(11) 0.0269(4) Uani 1 1 d . . . . .
H4 H 0.837698 0.681677 0.780739 0.032 Uiso 1 1 calc R U . . .
C5 C 0.78420(8) 0.60209(16) 0.70573(11) 0.0279(4) Uani 1 1 d . . . . .
H5 H 0.816488 0.559965 0.688076 0.033 Uiso 1 1 calc R U . . .
C6 C 0.72400(8) 0.59144(15) 0.67632(10) 0.0245(4) Uani 1 1 d . . . . .
H6 H 0.715128 0.541356 0.639066 0.029 Uiso 1 1 calc R U . . .
C7 C 0.54505(7) 0.70814(13) 0.71097(9) 0.0154(3) Uani 1 1 d . . . . .
C8 C 0.54364(7) 0.81440(12) 0.71038(9) 0.0162(3) Uani 1 1 d . . . . .
H8 H 0.573370 0.850118 0.682064 0.019 Uiso 1 1 calc R U . . .
C9 C 0.500000 0.86974(17) 0.750000 0.0169(5) Uani 1 2 d S T P A .
C10 C 0.500000 0.98658(19) 0.750000 0.0219(5) Uani 1 2 d S T P . .
C11 C 0.43618(17) 1.0257(3) 0.7356(2) 0.0249(8) Uani 0.5 1 d . . P A -1
H11A H 0.436761 1.100252 0.736032 0.037 Uiso 0.5 1 calc R U P A -1
H11B H 0.408898 1.001047 0.774824 0.037 Uiso 0.5 1 calc R U P A -1
H11C H 0.420805 1.001763 0.686342 0.037 Uiso 0.5 1 calc R U P A -1
C12 C 0.51964(19) 1.0215(3) 0.8354(2) 0.0279(8) Uani 0.5 1 d . . P A -1
H12A H 0.562334 1.000094 0.846918 0.042 Uiso 0.5 1 calc R U P A -1
H12B H 0.491716 0.989709 0.871131 0.042 Uiso 0.5 1 calc R U P A -1
H12C H 0.516657 1.095622 0.839546 0.042 Uiso 0.5 1 calc R U P A -1
C13 C 0.54656(19) 1.0331(3) 0.7002(3) 0.0298(9) Uani 0.5 1 d . . P A -1
H13A H 0.544735 1.107343 0.704592 0.045 Uiso 0.5 1 calc R U P A -1
H13B H 0.537525 1.013272 0.647940 0.045 Uiso 0.5 1 calc R U P A -1
H13C H 0.588097 1.009443 0.715320 0.045 Uiso 0.5 1 calc R U P A -1
C14 C 0.60145(8) 0.68816(13) 0.56794(9) 0.0193(3) Uani 1 1 d . . . . .
C15 C 0.64949(10) 0.75058(17) 0.54515(11) 0.0333(5) Uani 1 1 d . . . . .
H15 H 0.683480 0.764329 0.578625 0.040 Uiso 1 1 calc R U . . .
C16 C 0.64783(13) 0.7928(2) 0.47356(13) 0.0481(6) Uani 1 1 d . . . . .
H16 H 0.680966 0.834582 0.457738 0.058 Uiso 1 1 calc R U . . .
C17 C 0.59777(12) 0.77396(19) 0.42524(12) 0.0426(6) Uani 1 1 d . . . . .
H17 H 0.596656 0.802995 0.376286 0.051 Uiso 1 1 calc R U . . .
C18 C 0.54961(10) 0.71340(18) 0.44771(11) 0.0352(5) Uani 1 1 d . . . . .
H18 H 0.515082 0.701711 0.414622 0.042 Uiso 1 1 calc R U . . .
C19 C 0.55152(9) 0.66957(16) 0.51848(11) 0.0278(4) Uani 1 1 d . . . . .
H19 H 0.518671 0.626625 0.533456 0.033 Uiso 1 1 calc R U . . .
C20 C 0.500000 0.65433(18) 0.750000 0.0150(4) Uani 1 2 d S T P . .
C21 C 0.60959(9) 0.53857(15) 0.87281(11) 0.0272(4) Uani 1 1 d D . . . .
H21A H 0.578247 0.505235 0.904173 0.033 Uiso 0.510(4) 1 calc R U P B 1
H21B H 0.593433 0.605783 0.856683 0.033 Uiso 0.510(4) 1 calc R U P B 1
H21C H 0.568581 0.521870 0.893241 0.033 Uiso 0.490(4) 1 calc R U P B 2
H21D H 0.610558 0.611752 0.859870 0.033 Uiso 0.490(4) 1 calc R U P B 2
C22 C 0.6707(3) 0.5511(4) 0.9176(3) 0.0294(10) Uani 0.510(4) 1 d D . P B 1
H22A H 0.697145 0.604728 0.896210 0.035 Uiso 0.510(4) 1 calc R U P B 1
H22B H 0.663820 0.565444 0.971407 0.035 Uiso 0.510(4) 1 calc R U P B 1
C23 C 0.6972(2) 0.4452(4) 0.9056(3) 0.0320(8) Uani 0.510(4) 1 d D . P B 1
H23A H 0.678411 0.395320 0.939979 0.038 Uiso 0.510(4) 1 calc R U P B 1
H23B H 0.742713 0.444862 0.913923 0.038 Uiso 0.510(4) 1 calc R U P B 1
C24 C 0.67933(9) 0.42066(16) 0.82113(11) 0.0304(4) Uani 1 1 d D . . . .
H24A H 0.711985 0.444099 0.787089 0.036 Uiso 0.510(4) 1 calc R U P B 1
H24B H 0.672763 0.346807 0.813715 0.036 Uiso 0.510(4) 1 calc R U P B 1
H24C H 0.703214 0.416767 0.774419 0.036 Uiso 0.490(4) 1 calc R U P B 2
H24D H 0.670366 0.350692 0.838262 0.036 Uiso 0.490(4) 1 calc R U P B 2
C25 C 0.68820(13) 0.8954(3) 0.96776(17) 0.0653(8) Uani 1 1 d . . . . .
H25A H 0.711344 0.957935 0.955316 0.078 Uiso 1 1 calc R U . . .
H25B H 0.718379 0.841184 0.980911 0.078 Uiso 1 1 calc R U . . .
C26 C 0.64648(15) 0.9147(3) 1.03206(15) 0.0616(8) Uani 1 1 d . . . . .
H26A H 0.659658 0.874136 1.076570 0.074 Uiso 1 1 calc R U . . .
H26B H 0.646890 0.987605 1.045951 0.074 Uiso 1 1 calc R U . . .
C27 C 0.58346(13) 0.8832(2) 1.00450(16) 0.0556(7) Uani 1 1 d . . . . .
H27A H 0.557800 0.943059 0.990698 0.067 Uiso 1 1 calc R U . . .
H27B H 0.561976 0.843113 1.043106 0.067 Uiso 1 1 calc R U . . .
C28 C 0.59630(12) 0.8197(2) 0.93692(14) 0.0485(6) Uani 1 1 d . . . . .
H28A H 0.604460 0.748134 0.951407 0.058 Uiso 1 1 calc R U . . .
H28B H 0.560950 0.821648 0.900336 0.058 Uiso 1 1 calc R U . . .
C23A C 0.7150(2) 0.4776(4) 0.8806(3) 0.0320(8) Uani 0.490(4) 1 d D . P B 2
H23C H 0.737525 0.536165 0.859515 0.038 Uiso 0.490(4) 1 calc R U P B 2
H23D H 0.744457 0.433037 0.908594 0.038 Uiso 0.490(4) 1 calc R U P B 2
C22A C 0.6618(3) 0.5115(5) 0.9292(3) 0.0294(10) Uani 0.490(4) 1 d D . P B 2
H22C H 0.673891 0.571394 0.960027 0.035 Uiso 0.490(4) 1 calc R U P B 2
H22D H 0.648982 0.456036 0.963074 0.035 Uiso 0.490(4) 1 calc R U P B 2


_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
Cr1 Cl1 2.3074(5) . ?
Cr1 P1 2.4775(5) . ?
Cr1 Cl2 2.4203(5) . ?
Cr1 O1 2.0205(10) . ?
Cr1 O2 2.3088(12) . ?
P1 C1 1.8172(16) . ?
P1 C7 1.8114(17) . ?
P1 C14 1.8162(17) . ?
O1 C20 1.351(3) . ?
O2 C21 1.444(2) . ?
O2 C24 1.447(2) . ?
O3 C25 1.410(3) . ?
O3 C28 1.429(4) . ?
C1 C2 1.388(2) . ?
C1 C6 1.397(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.397(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(2) . ?
C7 C20 1.401(2) . ?
C8 H8 0.9500 . ?
C8 C9 1.395(2) . ?
C9 C10 1.537(3) . ?
C10 C11 1.487(4) . ?
C10 C12 1.632(4) . ?
C10 C13 1.488(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.391(3) . ?
C14 C19 1.395(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.388(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.385(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.377(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(3) . ?
C19 H19 0.9500 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C21 C22 1.531(6) . ?
C21 C22A 1.531(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.523(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.574(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 H24C 0.9900 . ?
C24 H24D 0.9900 . ?
C24 C23A 1.492(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.495(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.493(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.495(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C23A C22A 1.521(8) . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?

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
Cl1 Cr1 P1 97.677(18) . . ?
Cl1 Cr1 Cl2 98.284(17) . . ?
Cl1 Cr1 O2 104.89(4) . . ?
Cl2 Cr1 P1 162.969(18) . . ?
O1 Cr1 Cl1 168.133(18) . . ?
O1 Cr1 P1 79.73(4) . . ?
O1 Cr1 Cl2 83.44(4) . . ?
O1 Cr1 O2 86.67(3) . . ?
O2 Cr1 P1 88.33(4) . . ?
O2 Cr1 Cl2 93.28(4) . . ?
C1 P1 Cr1 110.25(6) . . ?
C7 P1 Cr1 98.28(6) . . ?
C7 P1 C1 108.15(8) . . ?
C7 P1 C14 104.03(7) . . ?
C14 P1 Cr1 129.54(6) . . ?
C14 P1 C1 104.81(8) . . ?
Cr1 Cl2 Cr1 85.03(2) . 2_656 ?
Cr1 O1 Cr1 108.09(7) . 2_656 ?
C20 O1 Cr1 125.95(4) . 2_656 ?
C20 O1 Cr1 125.95(4) . . ?
C21 O2 Cr1 126.98(11) . . ?
C21 O2 C24 109.71(13) . . ?
C24 O2 Cr1 123.29(11) . . ?
C25 O3 C28 106.4(2) . . ?
C2 C1 P1 124.04(13) . . ?
C2 C1 C6 120.00(15) . . ?
C6 C1 P1 115.90(13) . . ?
C1 C2 H2 120.2 . . ?
C1 C2 C3 119.59(16) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.30(17) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.34(16) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.76(18) . . ?
C6 C5 H5 120.1 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.00(17) . . ?
C5 C6 H6 120.0 . . ?
C8 C7 P1 124.77(13) . . ?
C8 C7 C20 119.57(15) . . ?
C20 C7 P1 115.61(13) . . ?
C7 C8 H8 118.9 . . ?
C9 C8 C7 122.17(16) . . ?
C9 C8 H8 118.9 . . ?
C8 C9 C8 117.1(2) 2_656 . ?
C8 C9 C10 121.44(11) . . ?
C8 C9 C10 121.44(11) 2_656 . ?
C9 C10 C12 106.34(16) . . ?
C11 C10 C9 110.27(17) . . ?
C11 C10 C12 106.3(2) . . ?
C11 C10 C13 113.1(2) . . ?
C13 C10 C9 114.30(17) . . ?
C13 C10 C12 105.9(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 P1 122.66(13) . . ?
C15 C14 C19 119.30(17) . . ?
C19 C14 P1 118.03(14) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 C14 120.10(19) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.9(2) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(2) . . ?
C18 C17 H17 119.8 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 119.99(19) . . ?
C19 C18 H18 120.0 . . ?
C14 C19 H19 119.8 . . ?
C18 C19 C14 120.30(19) . . ?
C18 C19 H19 119.8 . . ?
O1 C20 C7 120.34(11) . . ?
O1 C20 C7 120.34(11) . 2_656 ?
C7 C20 C7 119.3(2) . 2_656 ?
O2 C21 H21A 110.3 . . ?
O2 C21 H21B 110.3 . . ?
O2 C21 H21C 111.0 . . ?
O2 C21 H21D 111.0 . . ?
O2 C21 C22 107.2(3) . . ?
O2 C21 C22A 103.8(3) . . ?
H21A C21 H21B 108.5 . . ?
H21C C21 H21D 109.0 . . ?
C22 C21 H21A 110.3 . . ?
C22 C21 H21B 110.3 . . ?
C22A C21 H21C 111.0 . . ?
C22A C21 H21D 111.0 . . ?
C21 C22 H22A 112.0 . . ?
C21 C22 H22B 112.0 . . ?
H22A C22 H22B 109.7 . . ?
C23 C22 C21 98.7(4) . . ?
C23 C22 H22A 112.0 . . ?
C23 C22 H22B 112.0 . . ?
C22 C23 H23A 111.0 . . ?
C22 C23 H23B 111.0 . . ?
C22 C23 C24 103.7(4) . . ?
H23A C23 H23B 109.0 . . ?
C24 C23 H23A 111.0 . . ?
C24 C23 H23B 111.0 . . ?
O2 C24 C23 103.6(2) . . ?
O2 C24 H24A 111.0 . . ?
O2 C24 H24B 111.0 . . ?
O2 C24 H24C 110.5 . . ?
O2 C24 H24D 110.5 . . ?
O2 C24 C23A 106.3(2) . . ?
C23 C24 H24A 111.0 . . ?
C23 C24 H24B 111.0 . . ?
H24A C24 H24B 109.0 . . ?
H24C C24 H24D 108.7 . . ?
C23A C24 H24C 110.5 . . ?
C23A C24 H24D 110.5 . . ?
O3 C25 H25A 110.3 . . ?
O3 C25 H25B 110.3 . . ?
O3 C25 C26 107.0(2) . . ?
H25A C25 H25B 108.6 . . ?
C26 C25 H25A 110.3 . . ?
C26 C25 H25B 110.3 . . ?
C25 C26 H26A 110.7 . . ?
C25 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
C27 C26 C25 105.3(2) . . ?
C27 C26 H26A 110.7 . . ?
C27 C26 H26B 110.7 . . ?
C26 C27 H27A 111.1 . . ?
C26 C27 H27B 111.1 . . ?
C26 C27 C28 103.5(2) . . ?
H27A C27 H27B 109.0 . . ?
C28 C27 H27A 111.1 . . ?
C28 C27 H27B 111.1 . . ?
O3 C28 C27 104.1(2) . . ?
O3 C28 H28A 110.9 . . ?
O3 C28 H28B 110.9 . . ?
C27 C28 H28A 110.9 . . ?
C27 C28 H28B 110.9 . . ?
H28A C28 H28B 109.0 . . ?
C24 C23A H23C 111.8 . . ?
C24 C23A H23D 111.8 . . ?
C24 C23A C22A 99.6(4) . . ?
H23C C23A H23D 109.6 . . ?
C22A C23A H23C 111.8 . . ?
C22A C23A H23D 111.8 . . ?
C21 C22A H22C 110.9 . . ?
C21 C22A H22D 110.9 . . ?
C23A C22A C21 104.4(4) . . ?
C23A C22A H22C 110.9 . . ?
C23A C22A H22D 110.9 . . ?
H22C C22A H22D 108.9 . . ?

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
Cr1 P1 C1 C2 -111.50(14) . . . . ?
Cr1 P1 C1 C6 65.66(14) . . . . ?
Cr1 P1 C7 C8 -179.98(13) . . . . ?
Cr1 P1 C7 C20 -2.57(10) . . . . ?
Cr1 P1 C14 C15 -143.46(14) . . . . ?
Cr1 P1 C14 C19 37.78(17) . . . . ?
Cr1 O1 C20 C7 -178.41(7) 2_656 . . . ?
Cr1 O1 C20 C7 1.59(7) 2_656 . . 2_656 ?
Cr1 O1 C20 C7 -178.41(7) . . . 2_656 ?
Cr1 O1 C20 C7 1.59(7) . . . . ?
Cr1 O2 C21 C22 -161.7(2) . . . . ?
Cr1 O2 C21 C22A 175.4(2) . . . . ?
Cr1 O2 C24 C23 -172.4(2) . . . . ?
Cr1 O2 C24 C23A 159.3(2) . . . . ?
P1 C1 C2 C3 177.52(14) . . . . ?
P1 C1 C6 C5 -178.46(15) . . . . ?
P1 C7 C8 C9 179.84(9) . . . . ?
P1 C7 C20 O1 1.23(12) . . . . ?
P1 C7 C20 C7 -178.77(12) . . . 2_656 ?
P1 C14 C15 C16 -179.46(19) . . . . ?
P1 C14 C19 C18 178.33(15) . . . . ?
O2 C21 C22 C23 -37.1(4) . . . . ?
O2 C21 C22A C23A 26.6(5) . . . . ?
O2 C24 C23A C22A 37.1(4) . . . . ?
O3 C25 C26 C27 5.6(4) . . . . ?
C1 P1 C7 C8 65.46(15) . . . . ?
C1 P1 C7 C20 -117.14(10) . . . . ?
C1 P1 C14 C15 -10.42(18) . . . . ?
C1 P1 C14 C19 170.82(15) . . . . ?
C1 C2 C3 C4 0.5(3) . . . . ?
C2 C1 C6 C5 -1.2(3) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C1 0.9(3) . . . . ?
C6 C1 C2 C3 0.5(3) . . . . ?
C7 P1 C1 C2 -5.10(17) . . . . ?
C7 P1 C1 C6 172.06(13) . . . . ?
C7 P1 C14 C15 103.04(17) . . . . ?
C7 P1 C14 C19 -75.72(15) . . . . ?
C7 C8 C9 C8 -1.28(11) . . . 2_656 ?
C7 C8 C9 C10 178.73(11) . . . . ?
C8 C7 C20 O1 178.78(10) . . . . ?
C8 C7 C20 C7 -1.22(10) . . . 2_656 ?
C8 C9 C10 C11 -46.85(19) 2_656 . . . ?
C8 C9 C10 C11 133.15(19) . . . . ?
C8 C9 C10 C12 67.96(17) 2_656 . . . ?
C8 C9 C10 C12 -112.04(17) . . . . ?
C8 C9 C10 C13 4.5(2) . . . . ?
C8 C9 C10 C13 -175.5(2) 2_656 . . . ?
C14 P1 C1 C2 105.43(16) . . . . ?
C14 P1 C1 C6 -77.42(15) . . . . ?
C14 P1 C7 C8 -45.59(15) . . . . ?
C14 P1 C7 C20 131.81(10) . . . . ?
C14 C15 C16 C17 1.0(4) . . . . ?
C15 C14 C19 C18 -0.5(3) . . . . ?
C15 C16 C17 C18 -0.1(4) . . . . ?
C16 C17 C18 C19 -1.1(4) . . . . ?
C17 C18 C19 C14 1.4(3) . . . . ?
C19 C14 C15 C16 -0.7(3) . . . . ?
C20 C7 C8 C9 2.5(2) . . . . ?
C21 O2 C24 C23 6.2(3) . . . . ?
C21 O2 C24 C23A -22.1(3) . . . . ?
C21 C22 C23 C24 39.6(5) . . . . ?
C22 C23 C24 O2 -29.8(4) . . . . ?
C24 O2 C21 C22 19.8(3) . . . . ?
C24 O2 C21 C22A -3.1(3) . . . . ?
C24 C23A C22A C21 -38.6(5) . . . . ?
C25 O3 C28 C27 37.9(3) . . . . ?
C25 C26 C27 C28 16.7(3) . . . . ?
C26 C27 C28 O3 -33.1(3) . . . . ?
C28 O3 C25 C26 -27.1(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    
Air-sensitive,Moisture-sensitive,Oxygen-sensitive,Light-sensitive
