# Electronic Supplementary Material (ESI) for Chemical Communications.
# 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_18033
_database_code_depnum_ccdc_archive 'CCDC 1846355'
_audit_update_record             
;
2018-05-30 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_audit_creation_date             2018-04-19
_audit_creation_method           CRYSTALS_ver_14.61_build_6236

_oxford_structure_analysis_title 'mo_18033_0m in P-1'
_chemical_name_systematic        ?
_chemical_melting_point          ?

_cell_length_a                   10.5276(8)
_cell_length_b                   13.9902(11)
_cell_length_c                   16.3421(11)
_cell_angle_alpha                111.959(3)
_cell_angle_beta                 96.047(4)
_cell_angle_gamma                92.045(4)
_cell_volume                     2212.5(3)

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

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
K 0.2009 0.2494 8.2186 12.7949 7.4398 0.7748 1.0519 213.1870 0.8659 41.6841
1.4228 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cr 0.3209 0.6236 10.6406 6.1038 7.3537 0.3920 3.3240 20.2626 1.4922 98.7399
1.1832 'International Tables Vol C 4.2.6.8 and 6.1.1.4'


_cell_formula_units_Z            3

# Given Formula = C10.67 H13.33 Cr0.33 K0.33 O2 
# Dc =      0.46 Fooo =    323.00 Mu =      1.91 M =    203.92
# Found Formula = C32 H40 Cr2 K1 O6 
# Dc =      1.49 FOOO =   1041.00 Mu =      9.22 M =    663.76

_chemical_formula_sum            'C32 H40 Cr2 K1 O6'
_chemical_formula_moiety         'C32 H40 Cr2 K1 O6'
_chemical_compound_source        ?
_chemical_formula_weight         663.76


_cell_measurement_reflns_used    9958
_cell_measurement_theta_min      2
_cell_measurement_theta_max      29
_cell_measurement_temperature    293

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_size_min          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_max          0.400

_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000): 
_exptl_crystal_F_000             1041
_exptl_absorpt_coefficient_mu    0.922

# Sheldrick geometric approximatio 0.83 0.83 
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Siemens, 1996)'
_exptl_absorpt_correction_T_min  0.83
_exptl_absorpt_correction_T_max  0.83
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_device       Area
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_method       'φ & ω scans'

# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'

_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        ?

_diffrn_ambient_temperature      293
_diffrn_reflns_number            11377
_reflns_number_total             11377
_diffrn_reflns_av_R_equivalents  0.000
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 11377 
# Theoretical number of reflections is about 22998 


_diffrn_reflns_theta_min         1.355
_diffrn_reflns_theta_max         28.758
_diffrn_measured_fraction_theta_max 0.990

_diffrn_reflns_theta_full        25.019
_diffrn_measured_fraction_theta_full 0.994


_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       22
_reflns_limit_h_min              -14
_reflns_limit_h_max              14
_reflns_limit_k_min              -18
_reflns_limit_k_max              17
_reflns_limit_l_min              0
_reflns_limit_l_max              22

_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00

_atom_sites_solution_primary     Other #heavy,direct,difmap,geom,iterative
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens   difmap

_refine_diff_density_min         -0.54
_refine_diff_density_max         0.59


# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 


# The values actually used during refinement 
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_refine_ls_number_reflns         11340
_refine_ls_number_restraints     0
_refine_ls_number_parameters     556
_oxford_refine_ls_R_factor_ref   0.0625
_refine_ls_wR_factor_ref         0.1004
_refine_ls_goodness_of_fit_ref   0.9867
_refine_ls_shift/su_max          0.0018956
_refine_ls_shift/su_mean         0.0004126


# The values computed with all filters except I/sigma 
_oxford_reflns_number_all        11341
_refine_ls_R_factor_all          0.0625
_refine_ls_wR_factor_all         0.1004

# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression     I>2.0σ(I)
_reflns_number_gt                8074
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_gt          0.0879

# choose from: rm (reference molecule of known chirality), 
# ad (anomolous dispersion - Flack), rmad (rm and ad), 
# syn (from synthesis), unk (unknown) or . (not applicable). 
_chemical_absolute_configuration .


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    constr #undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.04P)² + 0.77P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atoms attached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
C1 C 0.32389(17) 0.16524(14) 0.44730(11) 0.0198 1.0000 Uani . . . . . .
C2 C 0.19860(18) 0.12670(15) 0.44912(12) 0.0240 1.0000 Uani . . . . . .
C3 C 0.09091(18) 0.18435(16) 0.44614(13) 0.0274 1.0000 Uani . . . . . .
C4 C 0.11001(18) 0.28584(16) 0.44691(13) 0.0271 1.0000 Uani . . . . . .
C5 C 0.23613(18) 0.32826(14) 0.45059(12) 0.0240 1.0000 Uani . . . . . .
C6 C 0.34355(17) 0.26857(14) 0.44802(11) 0.0198 1.0000 Uani . . . . . .
C7 C 0.46781(18) 0.29853(14) 0.43022(12) 0.0224 1.0000 Uani . . . . . .
C8 C 0.57683(18) 0.24433(15) 0.43814(12) 0.0253 1.0000 Uani . . . . . .
C9 C 0.55861(18) 0.14465(15) 0.43806(12) 0.0259 1.0000 Uani . . . . . .
C10 C 0.43143(17) 0.10145(14) 0.42975(12) 0.0216 1.0000 Uani . . . . . .
C11 C 0.30047(17) 0.06115(14) 0.21141(11) 0.0199 1.0000 Uani . . . . . .
C12 C 0.17525(17) 0.03156(14) 0.22858(12) 0.0226 1.0000 Uani . . . . . .
C13 C 0.06713(18) 0.08707(15) 0.22106(12) 0.0255 1.0000 Uani . . . . . .
C14 C 0.08732(18) 0.18731(16) 0.22210(12) 0.0258 1.0000 Uani . . . . . .
C15 C 0.21487(18) 0.22937(15) 0.23054(12) 0.0231 1.0000 Uani . . . . . .
C16 C 0.32080(17) 0.16442(14) 0.21218(11) 0.0196 1.0000 Uani . . . . . .
C17 C 0.44670(18) 0.20253(15) 0.21010(12) 0.0239 1.0000 Uani . . . . . .
C18 C 0.55324(18) 0.14368(16) 0.21249(13) 0.0269 1.0000 Uani . . . . . .
C19 C 0.53318(18) 0.04284(16) 0.21207(13) 0.0274 1.0000 Uani . . . . . .
C20 C 0.40676(18) 0.00131(15) 0.20959(12) 0.0240 1.0000 Uani . . . . . .
C21 C -0.06858(18) 0.39941(14) -0.11420(12) 0.0213 1.0000 Uani . . . . . .
C22 C -0.19169(18) 0.36556(15) -0.10269(13) 0.0251 1.0000 Uani . . . . . .
C23 C -0.29262(18) 0.43278(16) -0.08751(13) 0.0284 1.0000 Uani . . . . . .
C24 C -0.27294(18) 0.53216(16) -0.08970(13) 0.0285 1.0000 Uani . . . . . .
C25 C -0.15202(19) 0.56529(15) -0.10569(12) 0.0257 1.0000 Uani . . . . . .
C26 C -0.04853(18) 0.50157(14) -0.11561(12) 0.0207 1.0000 Uani . . . . . .
C27 C 0.08291(18) 0.53970(15) -0.11184(12) 0.0231 1.0000 Uani . . . . . .
C28 C 0.18306(19) 0.47186(15) -0.13280(12) 0.0261 1.0000 Uani . . . . . .
C29 C 0.16349(19) 0.37301(15) -0.13197(12) 0.0262 1.0000 Uani . . . . . .
C30 C 0.04471(18) 0.34439(14) -0.10932(12) 0.0228 1.0000 Uani . . . . . .
C31 C 0.83364(18) 0.40079(14) 0.31770(14) 0.0265 1.0000 Uani . . . . . .
C32 C 0.70252(18) 0.42644(15) 0.34382(14) 0.0257 1.0000 Uani . . . . . .
C33 C 0.53002(17) 0.52294(15) 0.32514(14) 0.0280 1.0000 Uani . . . . . .
C34 C 0.48901(18) 0.59468(15) 0.28054(14) 0.0297 1.0000 Uani . . . . . .
C35 C 0.52381(18) 0.76568(16) 0.28896(15) 0.0303 1.0000 Uani . . . . . .
C36 C 0.61052(18) 0.86210(15) 0.33450(14) 0.0274 1.0000 Uani . . . . . .
C37 C 0.82141(17) 0.93209(14) 0.34320(14) 0.0253 1.0000 Uani . . . . . .
C38 C 0.95091(18) 0.90268(15) 0.31661(14) 0.0256 1.0000 Uani . . . . . .
C39 C 1.12460(18) 0.80991(15) 0.34090(14) 0.0281 1.0000 Uani . . . . . .
C40 C 1.16633(18) 0.74133(15) 0.38816(14) 0.0283 1.0000 Uani . . . . . .
C41 C 1.12967(18) 0.57066(16) 0.38200(14) 0.0281 1.0000 Uani . . . . . .
C42 C 1.04401(17) 0.47345(15) 0.33335(14) 0.0267 1.0000 Uani . . . . . .
C43 C 0.50305(18) -0.24506(15) 0.02575(14) 0.0252 1.0000 Uani . . . . . .
C44 C 0.37931(18) -0.25792(14) -0.03275(14) 0.0255 1.0000 Uani . . . . . .
C45 C 0.20388(17) -0.16456(14) -0.05378(13) 0.0244 1.0000 Uani . . . . . .
C46 C 0.15776(17) -0.05847(15) -0.02435(13) 0.0229 1.0000 Uani . . . . . .
C47 C 0.19436(17) 0.10739(14) -0.02590(13) 0.0249 1.0000 Uani . . . . . .
C48 C 0.28264(17) 0.17294(15) -0.05314(13) 0.0248 1.0000 Uani . . . . . .
Cr1 Cr 0.45475(3) 0.14944(2) 0.319503(18) 0.0170 1.0000 Uani . . . . . .
Cr2 Cr 0.19005(3) 0.18024(2) 0.340066(18) 0.0169 1.0000 Uani . . . . . .
Cr3 Cr -0.13396(3) 0.51410(2) 0.005189(19) 0.0178 1.0000 Uani . . . . . .
K1 K 0.82680(3) 0.67474(3) 0.34942(3) 0.0218 1.0000 Uani . . . . . .
K2 K 0.5000 0.0000 0.0000 0.0230 1.0000 Uani S . . . . .
O1 O 0.91970(12) 0.49042(10) 0.35968(9) 0.0251 1.0000 Uani . . . . . .
O2 O 0.65568(12) 0.49614(10) 0.30571(9) 0.0254 1.0000 Uani . . . . . .
O3 O 0.56401(12) 0.69005(10) 0.32217(9) 0.0265 1.0000 Uani . . . . . .
O4 O 0.73440(12) 0.84232(10) 0.30794(9) 0.0252 1.0000 Uani . . . . . .
O5 O 1.00022(12) 0.83984(10) 0.36136(9) 0.0254 1.0000 Uani . . . . . .
O6 O 1.08690(12) 0.64770(10) 0.35178(9) 0.0268 1.0000 Uani . . . . . .
O7 O 0.32840(12) -0.15959(10) -0.00942(9) 0.0250 1.0000 Uani . . . . . .
O8 O 0.23493(11) 0.00520(10) -0.05322(9) 0.0228 1.0000 Uani . . . . . .
O9 O 0.40622(12) 0.18294(10) -0.00529(9) 0.0251 1.0000 Uani . . . . . .
H21 H 0.1836 0.0546 0.4351 0.0282 1.0000 Uiso R . . . . .
H31 H 0.0067 0.1514 0.4340 0.0334 1.0000 Uiso R . . . . .
H41 H 0.0382 0.3202 0.4352 0.0332 1.0000 Uiso R . . . . .
H51 H 0.2460 0.3887 0.4377 0.0287 1.0000 Uiso R . . . . .
H71 H 0.4782 0.3600 0.4189 0.0271 1.0000 Uiso R . . . . .
H81 H 0.6594 0.2706 0.4342 0.0306 1.0000 Uiso R . . . . .
H91 H 0.6289 0.1031 0.4341 0.0311 1.0000 Uiso R . . . . .
H101 H 0.4177 0.0298 0.4181 0.0261 1.0000 Uiso R . . . . .
H121 H 0.1638 -0.0302 0.2393 0.0277 1.0000 Uiso R . . . . .
H131 H -0.0160 0.0614 0.2248 0.0308 1.0000 Uiso R . . . . .
H141 H 0.0179 0.2298 0.2266 0.0311 1.0000 Uiso R . . . . .
H151 H 0.2300 0.3010 0.2427 0.0289 1.0000 Uiso R . . . . .
H171 H 0.4625 0.2744 0.2237 0.0283 1.0000 Uiso R . . . . .
H181 H 0.6378 0.1757 0.2241 0.0325 1.0000 Uiso R . . . . .
H191 H 0.6046 0.0081 0.2237 0.0330 1.0000 Uiso R . . . . .
H201 H 0.3963 -0.0590 0.2226 0.0289 1.0000 Uiso R . . . . .
H231 H -0.1995 0.3056 -0.0888 0.0300 1.0000 Uiso R . . . . .
H241 H -0.3678 0.4153 -0.0670 0.0358 1.0000 Uiso R . . . . .
H251 H -0.3348 0.5808 -0.0700 0.0355 1.0000 Uiso R . . . . .
H261 H -0.1340 0.6365 -0.0940 0.0308 1.0000 Uiso R . . . . .
H281 H 0.1008 0.6107 -0.1012 0.0283 1.0000 Uiso R . . . . .
H291 H 0.2657 0.4969 -0.1380 0.0324 1.0000 Uiso R . . . . .
H301 H 0.2330 0.3306 -0.1363 0.0318 1.0000 Uiso R . . . . .
H311 H 0.0370 0.2833 -0.0971 0.0281 1.0000 Uiso R . . . . .
H391 H 0.2519 0.2393 -0.0429 0.0309 1.0000 Uiso R . . . . .
H392 H 0.2872 0.1399 -0.1167 0.0309 1.0000 Uiso R . . . . .
H401 H 0.1986 0.1360 0.0386 0.0316 1.0000 Uiso R . . . . .
H402 H 0.1082 0.1057 -0.0501 0.0316 1.0000 Uiso R . . . . .
H421 H 0.1652 -0.0300 0.0402 0.0289 1.0000 Uiso R . . . . .
H422 H 0.0704 -0.0611 -0.0466 0.0289 1.0000 Uiso R . . . . .
H431 H 0.2073 -0.1894 -0.1174 0.0297 1.0000 Uiso R . . . . .
H432 H 0.1471 -0.2111 -0.0427 0.0297 1.0000 Uiso R . . . . .
H451 H 0.3951 -0.2829 -0.0947 0.0325 1.0000 Uiso R . . . . .
H452 H 0.3197 -0.3073 -0.0273 0.0325 1.0000 Uiso R . . . . .
H461 H 0.5346 -0.3104 0.0186 0.0321 1.0000 Uiso R . . . . .
H462 H 0.4887 -0.2116 0.0874 0.0321 1.0000 Uiso R . . . . .
H481 H 0.7915 0.9835 0.3229 0.0312 1.0000 Uiso R . . . . .
H482 H 0.8279 0.9603 0.4077 0.0312 1.0000 Uiso R . . . . .
H491 H 1.0072 0.9626 0.3299 0.0319 1.0000 Uiso R . . . . .
H492 H 0.9414 0.8644 0.2530 0.0319 1.0000 Uiso R . . . . .
H511 H 1.1833 0.8691 0.3580 0.0343 1.0000 Uiso R . . . . .
H512 H 1.1214 0.7722 0.2778 0.0343 1.0000 Uiso R . . . . .
H521 H 1.2532 0.7283 0.3843 0.0350 1.0000 Uiso R . . . . .
H522 H 1.1561 0.7750 0.4510 0.0350 1.0000 Uiso R . . . . .
H541 H 1.2165 0.5600 0.3736 0.0359 1.0000 Uiso R . . . . .
H542 H 1.1236 0.5930 0.4452 0.0359 1.0000 Uiso R . . . . .
H551 H 1.0767 0.4169 0.3450 0.0333 1.0000 Uiso R . . . . .
H552 H 1.0400 0.4568 0.2696 0.0333 1.0000 Uiso R . . . . .
H571 H 0.8632 0.3465 0.3345 0.0321 1.0000 Uiso R . . . . .
H572 H 0.8294 0.3786 0.2541 0.0321 1.0000 Uiso R . . . . .
H581 H 0.7095 0.4592 0.4085 0.0313 1.0000 Uiso R . . . . .
H582 H 0.6462 0.3659 0.3257 0.0313 1.0000 Uiso R . . . . .
H601 H 0.5299 0.5572 0.3884 0.0343 1.0000 Uiso R . . . . .
H602 H 0.4721 0.4623 0.3049 0.0343 1.0000 Uiso R . . . . .
H611 H 0.5034 0.5642 0.2181 0.0375 1.0000 Uiso R . . . . .
H612 H 0.4011 0.6048 0.2818 0.0375 1.0000 Uiso R . . . . .
H631 H 0.4374 0.7775 0.2966 0.0405 1.0000 Uiso R . . . . .
H632 H 0.5308 0.7403 0.2256 0.0405 1.0000 Uiso R . . . . .
H641 H 0.5783 0.9177 0.3213 0.0333 1.0000 Uiso R . . . . .
H642 H 0.6145 0.8812 0.3988 0.0333 1.0000 Uiso R . . . . .

_refine_ls_extinction_method     None
_oxford_refine_ls_scale          0.3237(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 . C2 . 1.415(3) yes
C1 . C6 . 1.448(3) yes
C1 . C10 . 1.452(2) yes
C1 . Cr1 . 2.5673(18) yes
C1 . Cr2 . 2.2083(18) yes
C2 . C3 . 1.422(3) yes
C2 . Cr2 . 2.1714(19) yes
C2 . H21 . 0.950 no
C3 . C4 . 1.422(3) yes
C3 . Cr2 . 2.0997(19) yes
C3 . H31 . 0.950 no
C4 . C5 . 1.421(3) yes
C4 . Cr2 . 2.1002(18) yes
C4 . H41 . 0.950 no
C5 . C6 . 1.424(2) yes
C5 . Cr2 . 2.1754(18) yes
C5 . H51 . 0.950 no
C6 . C7 . 1.451(3) yes
C6 . Cr1 . 2.5687(17) yes
C6 . Cr2 . 2.2084(17) yes
C7 . C8 . 1.419(3) yes
C7 . Cr1 . 2.1790(18) yes
C7 . H71 . 0.950 no
C8 . C9 . 1.400(3) yes
C8 . Cr1 . 2.1451(18) yes
C8 . H81 . 0.950 no
C9 . C10 . 1.421(3) yes
C9 . Cr1 . 2.1471(19) yes
C9 . H91 . 0.950 no
C10 . Cr1 . 2.1779(19) yes
C10 . H101 . 0.950 no
C11 . C12 . 1.454(3) yes
C11 . C16 . 1.448(3) yes
C11 . C20 . 1.418(2) yes
C11 . Cr1 . 2.2147(18) yes
C11 . Cr2 . 2.5654(17) yes
C12 . C13 . 1.421(3) yes
C12 . Cr2 . 2.1802(18) yes
C12 . H121 . 0.950 no
C13 . C14 . 1.404(3) yes
C13 . Cr2 . 2.1470(18) yes
C13 . H131 . 0.950 no
C14 . C15 . 1.419(3) yes
C14 . Cr2 . 2.1464(19) yes
C14 . H141 . 0.950 no
C15 . C16 . 1.449(2) yes
C15 . Cr2 . 2.1795(19) yes
C15 . H151 . 0.950 no
C16 . C17 . 1.419(3) yes
C16 . Cr1 . 2.2099(18) yes
C17 . C18 . 1.421(3) yes
C17 . Cr1 . 2.1727(19) yes
C17 . H171 . 0.950 no
C18 . C19 . 1.416(3) yes
C18 . Cr1 . 2.1030(19) yes
C18 . H181 . 0.950 no
C19 . C20 . 1.424(3) yes
C19 . Cr1 . 2.1032(18) yes
C19 . H191 . 0.950 no
C20 . Cr1 . 2.1741(18) yes
C20 . H201 . 0.950 no
C21 . Cr3 2_565 2.5666(18) yes
C21 . C22 . 1.419(3) yes
C21 . C26 . 1.446(3) yes
C21 . C30 . 1.454(3) yes
C21 . Cr3 . 2.2080(17) yes
C22 . C23 . 1.424(3) yes
C22 . Cr3 . 2.1772(19) yes
C22 . H231 . 0.950 no
C23 . C24 . 1.413(3) yes
C23 . Cr3 . 2.1027(19) yes
C23 . H241 . 0.950 no
C24 . C25 . 1.422(3) yes
C24 . Cr3 . 2.1096(19) yes
C24 . H251 . 0.950 no
C25 . C26 . 1.416(3) yes
C25 . Cr3 . 2.177(2) yes
C25 . H261 . 0.950 no
C26 . Cr3 2_565 2.5673(18) yes
C26 . C27 . 1.452(3) yes
C26 . Cr3 . 2.2053(18) yes
C27 . Cr3 2_565 2.1692(19) yes
C27 . C28 . 1.426(3) yes
C27 . H281 . 0.950 no
C28 . Cr3 2_565 2.1407(19) yes
C28 . C29 . 1.396(3) yes
C28 . H291 . 0.950 no
C29 . Cr3 2_565 2.1464(18) yes
C29 . C30 . 1.426(3) yes
C29 . H301 . 0.950 no
C30 . Cr3 2_565 2.1700(18) yes
C30 . H311 . 0.950 no
C31 . C32 . 1.504(3) yes
C31 . O1 . 1.417(2) yes
C31 . H571 . 0.950 no
C31 . H572 . 0.962 no
C32 . O2 . 1.416(2) yes
C32 . H581 . 0.976 no
C32 . H582 . 0.947 no
C33 . C34 . 1.496(3) yes
C33 . O2 . 1.423(2) yes
C33 . H601 . 0.963 no
C33 . H602 . 0.955 no
C34 . O3 . 1.414(2) yes
C34 . H611 . 0.979 no
C34 . H612 . 0.943 no
C35 . C36 . 1.492(3) yes
C35 . O3 . 1.416(2) yes
C35 . H631 . 0.943 no
C35 . H632 . 0.972 no
C36 . O4 . 1.422(2) yes
C36 . H641 . 0.947 no
C36 . H642 . 0.979 no
C37 . C38 . 1.499(3) yes
C37 . O4 . 1.419(2) yes
C37 . H481 . 0.949 no
C37 . H482 . 0.971 no
C38 . O5 . 1.418(2) yes
C38 . H491 . 0.950 no
C38 . H492 . 0.968 no
C39 . C40 . 1.491(3) yes
C39 . O5 . 1.424(2) yes
C39 . H511 . 0.948 no
C39 . H512 . 0.963 no
C40 . O6 . 1.415(2) yes
C40 . H521 . 0.943 no
C40 . H522 . 0.976 no
C41 . C42 . 1.499(3) yes
C41 . O6 . 1.412(2) yes
C41 . H541 . 0.947 no
C41 . H542 . 0.970 no
C42 . O1 . 1.421(2) yes
C42 . H551 . 0.948 no
C42 . H552 . 0.974 no
C43 . O9 2_655 1.416(2) yes
C43 . C44 . 1.495(3) yes
C43 . H461 . 0.953 no
C43 . H462 . 0.971 no
C44 . O7 . 1.424(2) yes
C44 . H451 . 0.974 no
C44 . H452 . 0.952 no
C45 . C46 . 1.496(3) yes
C45 . O7 . 1.416(2) yes
C45 . H431 . 0.970 no
C45 . H432 . 0.947 no
C46 . O8 . 1.421(2) yes
C46 . H421 . 0.971 no
C46 . H422 . 0.947 no
C47 . C48 . 1.495(3) yes
C47 . O8 . 1.425(2) yes
C47 . H401 . 0.972 no
C47 . H402 . 0.947 no
C48 . O9 . 1.419(2) yes
C48 . H391 . 0.955 no
C48 . H392 . 0.974 no
Cr1 . Cr2 . 2.8704(4) yes
Cr3 . Cr3 2_565 2.8757(6) yes
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 . C1 . C6 . 118.98(16) yes
C2 . C1 . C10 . 123.44(17) yes
C6 . C1 . C10 . 116.76(16) yes
C2 . C1 . Cr1 . 132.58(12) yes
C6 . C1 . Cr1 . 73.67(10) yes
C10 . C1 . Cr1 . 57.95(9) yes
C2 . C1 . Cr2 . 69.75(11) yes
C6 . C1 . Cr2 . 70.86(10) yes
C10 . C1 . Cr2 . 122.62(12) yes
Cr1 . C1 . Cr2 . 73.46(5) yes
C1 . C2 . C3 . 121.59(18) yes
C1 . C2 . Cr2 . 72.58(11) yes
C3 . C2 . Cr2 . 67.85(11) yes
C1 . C2 . H21 . 117.9 no
C3 . C2 . H21 . 118.1 no
Cr2 . C2 . H21 . 118.1 no
C2 . C3 . C4 . 119.41(18) yes
C2 . C3 . Cr2 . 73.31(11) yes
C4 . C3 . Cr2 . 70.23(11) yes
C2 . C3 . H31 . 119.9 no
C4 . C3 . H31 . 119.9 no
Cr2 . C3 . H31 . 119.5 no
C3 . C4 . C5 . 119.70(17) yes
C3 . C4 . Cr2 . 70.19(10) yes
C5 . C4 . Cr2 . 73.47(10) yes
C3 . C4 . H41 . 119.6 no
C5 . C4 . H41 . 119.9 no
Cr2 . C4 . H41 . 119.5 no
C4 . C5 . C6 . 121.10(18) yes
C4 . C5 . Cr2 . 67.75(10) yes
C6 . C5 . Cr2 . 72.30(10) yes
C4 . C5 . H51 . 118.4 no
C6 . C5 . H51 . 118.1 no
Cr2 . C5 . H51 . 118.4 no
C1 . C6 . C5 . 118.99(17) yes
C1 . C6 . C7 . 117.28(16) yes
C5 . C6 . C7 . 122.81(17) yes
C1 . C6 . Cr1 . 73.56(10) yes
C5 . C6 . Cr1 . 132.66(13) yes
C7 . C6 . Cr1 . 57.95(9) yes
C1 . C6 . Cr2 . 70.85(10) yes
C5 . C6 . Cr2 . 69.79(10) yes
C7 . C6 . Cr2 . 122.08(12) yes
Cr1 . C6 . Cr2 . 73.43(5) yes
C6 . C7 . C8 . 121.61(18) yes
C6 . C7 . Cr1 . 87.70(11) yes
C8 . C7 . Cr1 . 69.56(10) yes
C6 . C7 . H71 . 119.0 no
C8 . C7 . H71 . 119.1 no
Cr1 . C7 . H71 . 119.1 no
C7 . C8 . C9 . 118.86(17) yes
C7 . C8 . Cr1 . 72.14(10) yes
C9 . C8 . Cr1 . 71.04(11) yes
C7 . C8 . H81 . 120.3 no
C9 . C8 . H81 . 120.2 no
Cr1 . C8 . H81 . 120.0 no
C8 . C9 . C10 . 118.68(17) yes
C8 . C9 . Cr1 . 70.88(11) yes
C10 . C9 . Cr1 . 72.00(11) yes
C8 . C9 . H91 . 120.1 no
C10 . C9 . H91 . 120.5 no
Cr1 . C9 . H91 . 120.1 no
C1 . C10 . C9 . 121.88(17) yes
C1 . C10 . Cr1 . 87.63(11) yes
C9 . C10 . Cr1 . 69.65(11) yes
C1 . C10 . H101 . 119.0 no
C9 . C10 . H101 . 118.9 no
Cr1 . C10 . H101 . 119.0 no
C12 . C11 . C16 . 117.13(16) yes
C12 . C11 . C20 . 122.71(18) yes
C16 . C11 . C20 . 119.23(17) yes
C12 . C11 . Cr1 . 122.57(12) yes
C16 . C11 . Cr1 . 70.72(10) yes
C20 . C11 . Cr1 . 69.61(10) yes
C12 . C11 . Cr2 . 58.10(9) yes
C16 . C11 . Cr2 . 73.71(10) yes
C20 . C11 . Cr2 . 132.02(13) yes
Cr1 . C11 . Cr2 . 73.39(5) yes
C11 . C12 . C13 . 121.53(18) yes
C11 . C12 . Cr2 . 87.41(11) yes
C13 . C12 . Cr2 . 69.57(10) yes
C11 . C12 . H121 . 119.0 no
C13 . C12 . H121 . 119.2 no
Cr2 . C12 . H121 . 119.2 no
C12 . C13 . C14 . 118.77(17) yes
C12 . C13 . Cr2 . 72.10(10) yes
C14 . C13 . Cr2 . 70.88(11) yes
C12 . C13 . H131 . 120.3 no
C14 . C13 . H131 . 120.2 no
Cr2 . C13 . H131 . 120.1 no
C13 . C14 . C15 . 118.80(17) yes
C13 . C14 . Cr2 . 70.93(11) yes
C15 . C14 . Cr2 . 72.13(11) yes
C13 . C14 . H141 . 120.1 no
C15 . C14 . H141 . 120.4 no
Cr2 . C14 . H141 . 120.0 no
C14 . C15 . C16 . 121.73(18) yes
C14 . C15 . Cr2 . 69.60(11) yes
C16 . C15 . Cr2 . 87.68(11) yes
C14 . C15 . H151 . 119.0 no
C16 . C15 . H151 . 118.9 no
Cr2 . C15 . H151 . 119.1 no
C15 . C16 . C11 . 117.14(16) yes
C15 . C16 . C17 . 123.00(17) yes
C11 . C16 . C17 . 118.98(16) yes
C15 . C16 . Cr1 . 122.11(12) yes
C11 . C16 . Cr1 . 71.08(10) yes
C17 . C16 . Cr1 . 69.69(11) yes
C16 . C17 . C18 . 121.19(18) yes
C16 . C17 . Cr1 . 72.53(11) yes
C18 . C17 . Cr1 . 67.96(11) yes
C16 . C17 . H171 . 118.2 no
C18 . C17 . H171 . 118.4 no
Cr1 . C17 . H171 . 118.3 no
C17 . C18 . C19 . 119.63(17) yes
C17 . C18 . Cr1 . 73.27(11) yes
C19 . C18 . Cr1 . 70.33(11) yes
C17 . C18 . H181 . 119.8 no
C19 . C18 . H181 . 119.7 no
Cr1 . C18 . H181 . 119.5 no
C18 . C19 . C20 . 119.90(17) yes
C18 . C19 . Cr1 . 70.31(11) yes
C20 . C19 . Cr1 . 73.28(10) yes
C18 . C19 . H191 . 119.5 no
C20 . C19 . H191 . 119.7 no
Cr1 . C19 . H191 . 119.3 no
C19 . C20 . C11 . 120.92(18) yes
C19 . C20 . Cr1 . 67.89(10) yes
C11 . C20 . Cr1 . 72.72(10) yes
C19 . C20 . H201 . 118.7 no
C11 . C20 . H201 . 118.4 no
Cr1 . C20 . H201 . 118.6 no
Cr3 2_565 C21 . C22 . 132.88(13) yes
Cr3 2_565 C21 . C26 . 73.66(10) yes
C22 . C21 . C26 . 119.07(17) yes
Cr3 2_565 C21 . C30 . 57.66(9) yes
C22 . C21 . C30 . 123.10(18) yes
C26 . C21 . C30 . 116.96(17) yes
Cr3 2_565 C21 . Cr3 . 73.64(5) yes
C22 . C21 . Cr3 . 69.95(10) yes
C26 . C21 . Cr3 . 70.77(10) yes
C30 . C21 . Cr3 . 122.26(12) yes
C21 . C22 . C23 . 120.87(18) yes
C21 . C22 . Cr3 . 72.30(10) yes
C23 . C22 . Cr3 . 67.76(11) yes
C21 . C22 . H231 . 118.2 no
C23 . C22 . H231 . 118.6 no
Cr3 . C22 . H231 . 118.6 no
C22 . C23 . C24 . 119.76(18) yes
C22 . C23 . Cr3 . 73.42(11) yes
C24 . C23 . Cr3 . 70.67(11) yes
C22 . C23 . H241 . 119.9 no
C24 . C23 . H241 . 119.6 no
Cr3 . C23 . H241 . 119.5 no
C23 . C24 . C25 . 119.97(18) yes
C23 . C24 . Cr3 . 70.14(11) yes
C25 . C24 . Cr3 . 73.21(11) yes
C23 . C24 . H251 . 119.4 no
C25 . C24 . H251 . 119.7 no
Cr3 . C24 . H251 . 119.1 no
C24 . C25 . C26 . 120.80(18) yes
C24 . C25 . Cr3 . 68.08(11) yes
C26 . C25 . Cr3 . 72.23(11) yes
C24 . C25 . H261 . 118.7 no
C26 . C25 . H261 . 118.4 no
Cr3 . C25 . H261 . 118.8 no
C21 . C26 . C25 . 119.34(17) yes
C21 . C26 . Cr3 2_565 73.61(10) yes
C25 . C26 . Cr3 2_565 132.99(13) yes
C21 . C26 . C27 . 116.96(16) yes
C25 . C26 . C27 . 122.83(17) yes
Cr3 2_565 C26 . C27 . 57.61(10) yes
C21 . C26 . Cr3 . 70.97(10) yes
C25 . C26 . Cr3 . 70.07(11) yes
Cr3 2_565 C26 . Cr3 . 73.67(5) yes
C27 . C26 . Cr3 . 122.08(12) yes
Cr3 2_565 C27 . C26 . 87.98(11) yes
Cr3 2_565 C27 . C28 . 69.60(11) yes
C26 . C27 . C28 . 121.82(17) yes
Cr3 2_565 C27 . H281 . 119.0 no
C26 . C27 . H281 . 118.8 no
C28 . C27 . H281 . 119.1 no
Cr3 2_565 C28 . C27 . 71.76(11) yes
Cr3 2_565 C28 . C29 . 71.22(11) yes
C27 . C28 . C29 . 118.64(18) yes
Cr3 2_565 C28 . H291 . 120.1 no
C27 . C28 . H291 . 120.4 no
C29 . C28 . H291 . 120.3 no
Cr3 2_565 C29 . C28 . 70.77(11) yes
Cr3 2_565 C29 . C30 . 71.60(10) yes
C28 . C29 . C30 . 118.66(17) yes
Cr3 2_565 C29 . H301 . 120.0 no
C28 . C29 . H301 . 120.1 no
C30 . C29 . H301 . 120.4 no
Cr3 2_565 C30 . C21 . 87.87(11) yes
Cr3 2_565 C30 . C29 . 69.82(10) yes
C21 . C30 . C29 . 121.68(18) yes
Cr3 2_565 C30 . H311 . 119.1 no
C21 . C30 . H311 . 119.0 no
C29 . C30 . H311 . 119.0 no
C32 . C31 . O1 . 108.92(15) yes
C32 . C31 . H571 . 111.2 no
O1 . C31 . H571 . 109.7 no
C32 . C31 . H572 . 108.9 no
O1 . C31 . H572 . 109.8 no
H571 . C31 . H572 . 108.4 no
C31 . C32 . O2 . 108.59(15) yes
C31 . C32 . H581 . 108.7 no
O2 . C32 . H581 . 109.5 no
C31 . C32 . H582 . 111.1 no
O2 . C32 . H582 . 111.3 no
H581 . C32 . H582 . 107.6 no
C34 . C33 . O2 . 108.21(16) yes
C34 . C33 . H601 . 109.3 no
O2 . C33 . H601 . 110.2 no
C34 . C33 . H602 . 110.9 no
O2 . C33 . H602 . 110.4 no
H601 . C33 . H602 . 107.9 no
C33 . C34 . O3 . 109.18(16) yes
C33 . C34 . H611 . 108.7 no
O3 . C34 . H611 . 108.8 no
C33 . C34 . H612 . 111.7 no
O3 . C34 . H612 . 110.7 no
H611 . C34 . H612 . 107.7 no
C36 . C35 . O3 . 108.99(16) yes
C36 . C35 . H631 . 112.0 no
O3 . C35 . H631 . 110.4 no
C36 . C35 . H632 . 108.4 no
O3 . C35 . H632 . 108.7 no
H631 . C35 . H632 . 108.2 no
C35 . C36 . O4 . 108.59(16) yes
C35 . C36 . H641 . 111.2 no
O4 . C36 . H641 . 111.1 no
C35 . C36 . H642 . 108.4 no
O4 . C36 . H642 . 110.1 no
H641 . C36 . H642 . 107.4 no
C38 . C37 . O4 . 108.80(15) yes
C38 . C37 . H481 . 111.5 no
O4 . C37 . H481 . 110.3 no
C38 . C37 . H482 . 108.7 no
O4 . C37 . H482 . 109.7 no
H481 . C37 . H482 . 107.8 no
C37 . C38 . O5 . 108.95(15) yes
C37 . C38 . H491 . 110.6 no
O5 . C38 . H491 . 111.0 no
C37 . C38 . H492 . 108.4 no
O5 . C38 . H492 . 109.9 no
H491 . C38 . H492 . 108.0 no
C40 . C39 . O5 . 108.68(16) yes
C40 . C39 . H511 . 110.8 no
O5 . C39 . H511 . 110.4 no
C40 . C39 . H512 . 108.9 no
O5 . C39 . H512 . 109.6 no
H511 . C39 . H512 . 108.5 no
C39 . C40 . O6 . 108.87(16) yes
C39 . C40 . H521 . 111.7 no
O6 . C40 . H521 . 110.7 no
C39 . C40 . H522 . 109.1 no
O6 . C40 . H522 . 108.4 no
H521 . C40 . H522 . 107.9 no
C42 . C41 . O6 . 108.44(16) yes
C42 . C41 . H541 . 111.6 no
O6 . C41 . H541 . 110.7 no
C42 . C41 . H542 . 108.9 no
O6 . C41 . H542 . 109.1 no
H541 . C41 . H542 . 108.0 no
C41 . C42 . O1 . 108.61(15) yes
C41 . C42 . H551 . 111.2 no
O1 . C42 . H551 . 110.6 no
C41 . C42 . H552 . 108.8 no
O1 . C42 . H552 . 109.9 no
H551 . C42 . H552 . 107.6 no
O9 2_655 C43 . C44 . 109.18(15) yes
O9 2_655 C43 . H461 . 110.4 no
C44 . C43 . H461 . 111.1 no
O9 2_655 C43 . H462 . 109.6 no
C44 . C43 . H462 . 109.0 no
H461 . C43 . H462 . 107.5 no
C43 . C44 . O7 . 108.13(15) yes
C43 . C44 . H451 . 109.4 no
O7 . C44 . H451 . 109.6 no
C43 . C44 . H452 . 111.7 no
O7 . C44 . H452 . 110.7 no
H451 . C44 . H452 . 107.3 no
C46 . C45 . O7 . 109.22(15) yes
C46 . C45 . H431 . 108.4 no
O7 . C45 . H431 . 109.2 no
C46 . C45 . H432 . 111.2 no
O7 . C45 . H432 . 110.7 no
H431 . C45 . H432 . 108.1 no
C45 . C46 . O8 . 109.50(14) yes
C45 . C46 . H421 . 108.3 no
O8 . C46 . H421 . 109.5 no
C45 . C46 . H422 . 110.8 no
O8 . C46 . H422 . 110.8 no
H421 . C46 . H422 . 108.0 no
C48 . C47 . O8 . 109.27(14) yes
C48 . C47 . H401 . 108.9 no
O8 . C47 . H401 . 108.7 no
C48 . C47 . H402 . 112.0 no
O8 . C47 . H402 . 110.1 no
H401 . C47 . H402 . 107.9 no
C47 . C48 . O9 . 108.74(15) yes
C47 . C48 . H391 . 111.4 no
O9 . C48 . H391 . 110.7 no
C47 . C48 . H392 . 109.3 no
O9 . C48 . H392 . 109.7 no
H391 . C48 . H392 . 107.0 no
C16 . Cr1 . C11 . 38.21(7) yes
C16 . Cr1 . C7 . 105.74(7) yes
C11 . Cr1 . C7 . 133.47(7) yes
C16 . Cr1 . C10 . 134.04(7) yes
C11 . Cr1 . C10 . 106.29(7) yes
C7 . Cr1 . C10 . 78.86(7) yes
C16 . Cr1 . C20 . 68.64(7) yes
C11 . Cr1 . C20 . 37.67(7) yes
C7 . Cr1 . C20 . 170.25(7) yes
C10 . Cr1 . C20 . 99.19(7) yes
C16 . Cr1 . C17 . 37.78(7) yes
C11 . Cr1 . C17 . 68.53(7) yes
C7 . Cr1 . C17 . 99.25(7) yes
C10 . Cr1 . C17 . 171.01(7) yes
C20 . Cr1 . C17 . 81.18(7) yes
C16 . Cr1 . C9 . 169.93(7) yes
C11 . Cr1 . C9 . 140.82(7) yes
C7 . Cr1 . C9 . 68.26(7) yes
C10 . Cr1 . C9 . 38.35(7) yes
C20 . Cr1 . C9 . 116.02(8) yes
C16 . Cr1 . C8 . 140.04(7) yes
C11 . Cr1 . C8 . 169.77(7) yes
C7 . Cr1 . C8 . 38.30(7) yes
C10 . Cr1 . C8 . 68.30(7) yes
C20 . Cr1 . C8 . 149.63(7) yes
C16 . Cr1 . C19 . 82.93(7) yes
C11 . Cr1 . C19 . 69.78(7) yes
C7 . Cr1 . C19 . 150.32(8) yes
C10 . Cr1 . C19 . 115.83(8) yes
C20 . Cr1 . C19 . 38.83(7) yes
C16 . Cr1 . C18 . 69.96(7) yes
C11 . Cr1 . C18 . 82.86(7) yes
C7 . Cr1 . C18 . 116.16(8) yes
C10 . Cr1 . C18 . 149.69(7) yes
C20 . Cr1 . C18 . 70.14(8) yes
C16 . Cr1 . C1 . 106.54(6) yes
C11 . Cr1 . C1 . 95.66(6) yes
C7 . Cr1 . C1 . 62.24(6) yes
C10 . Cr1 . C1 . 34.42(6) yes
C20 . Cr1 . C1 . 110.93(7) yes
C16 . Cr1 . C6 . 95.73(6) yes
C11 . Cr1 . C6 . 106.44(6) yes
C7 . Cr1 . C6 . 34.35(6) yes
C10 . Cr1 . C6 . 62.08(6) yes
C20 . Cr1 . C6 . 136.55(6) yes
C16 . Cr1 . Cr2 . 59.03(5) yes
C11 . Cr1 . Cr2 . 58.92(5) yes
C7 . Cr1 . Cr2 . 77.99(5) yes
C10 . Cr1 . Cr2 . 78.29(5) yes
C20 . Cr1 . Cr2 . 92.27(5) yes
C17 . Cr1 . C9 . 148.92(7) yes
C17 . Cr1 . C8 . 115.56(8) yes
C9 . Cr1 . C8 . 38.08(7) yes
C17 . Cr1 . C19 . 69.97(8) yes
C9 . Cr1 . C19 . 106.31(8) yes
C8 . Cr1 . C19 . 120.23(7) yes
C17 . Cr1 . C18 . 38.77(7) yes
C9 . Cr1 . C18 . 119.73(8) yes
C8 . Cr1 . C18 . 106.20(8) yes
C19 . Cr1 . C18 . 39.36(8) yes
C17 . Cr1 . C1 . 137.14(6) yes
C9 . Cr1 . C1 . 63.65(6) yes
C8 . Cr1 . C1 . 74.96(7) yes
C19 . Cr1 . C1 . 143.50(7) yes
C18 . Cr1 . C1 . 175.89(7) yes
C17 . Cr1 . C6 . 111.58(7) yes
C9 . Cr1 . C6 . 74.74(6) yes
C8 . Cr1 . C6 . 63.45(6) yes
C19 . Cr1 . C6 . 175.33(7) yes
C18 . Cr1 . C6 . 144.14(7) yes
C17 . Cr1 . Cr2 . 92.72(5) yes
C9 . Cr1 . Cr2 . 111.13(5) yes
C8 . Cr1 . Cr2 . 110.95(5) yes
C19 . Cr1 . Cr2 . 128.63(6) yes
C18 . Cr1 . Cr2 . 128.94(6) yes
C1 . Cr1 . C6 . 32.76(6) yes
C1 . Cr1 . Cr2 . 47.52(4) yes
C6 . Cr1 . Cr2 . 47.51(4) yes
C6 . Cr2 . C1 . 38.29(7) yes
C6 . Cr2 . Cr1 . 59.06(5) yes
C1 . Cr2 . Cr1 . 59.02(5) yes
C6 . Cr2 . C12 . 134.19(7) yes
C1 . Cr2 . C12 . 106.32(7) yes
Cr1 . Cr2 . C12 . 78.45(5) yes
C6 . Cr2 . C15 . 105.76(7) yes
C1 . Cr2 . C15 . 133.59(7) yes
Cr1 . Cr2 . C15 . 77.99(5) yes
C12 . Cr2 . C15 . 78.95(7) yes
C6 . Cr2 . C5 . 37.92(6) yes
C1 . Cr2 . C5 . 68.75(7) yes
Cr1 . Cr2 . C5 . 92.82(5) yes
C12 . Cr2 . C5 . 171.27(7) yes
C15 . Cr2 . C5 . 99.11(7) yes
C6 . Cr2 . C2 . 68.55(7) yes
C1 . Cr2 . C2 . 37.68(7) yes
Cr1 . Cr2 . C2 . 92.54(5) yes
C12 . Cr2 . C2 . 99.46(7) yes
C15 . Cr2 . C2 . 170.53(7) yes
C6 . Cr2 . C13 . 170.08(7) yes
C1 . Cr2 . C13 . 140.78(7) yes
Cr1 . Cr2 . C13 . 111.25(5) yes
C12 . Cr2 . C13 . 38.33(7) yes
C15 . Cr2 . C13 . 68.33(8) yes
C6 . Cr2 . C14 . 139.97(8) yes
C1 . Cr2 . C14 . 169.91(7) yes
Cr1 . Cr2 . C14 . 110.98(5) yes
C12 . Cr2 . C14 . 68.38(7) yes
C15 . Cr2 . C14 . 38.27(7) yes
C6 . Cr2 . C4 . 70.16(7) yes
C1 . Cr2 . C4 . 83.22(7) yes
Cr1 . Cr2 . C4 . 129.16(5) yes
C12 . Cr2 . C4 . 149.51(7) yes
C15 . Cr2 . C4 . 115.77(8) yes
C6 . Cr2 . C3 . 83.25(7) yes
C1 . Cr2 . C3 . 70.10(7) yes
Cr1 . Cr2 . C3 . 129.05(6) yes
C12 . Cr2 . C3 . 115.58(8) yes
C15 . Cr2 . C3 . 149.99(7) yes
C6 . Cr2 . C11 . 106.74(6) yes
C1 . Cr2 . C11 . 95.88(6) yes
Cr1 . Cr2 . C11 . 47.68(4) yes
C12 . Cr2 . C11 . 34.48(6) yes
C15 . Cr2 . C11 . 62.16(6) yes
C5 . Cr2 . C2 . 81.04(7) yes
C5 . Cr2 . C13 . 148.67(7) yes
C2 . Cr2 . C13 . 116.10(8) yes
C5 . Cr2 . C14 . 115.27(7) yes
C2 . Cr2 . C14 . 149.63(8) yes
C13 . Cr2 . C14 . 38.19(8) yes
C5 . Cr2 . C4 . 38.77(7) yes
C2 . Cr2 . C4 . 70.15(8) yes
C13 . Cr2 . C4 . 119.37(7) yes
C14 . Cr2 . C4 . 105.71(8) yes
C5 . Cr2 . C3 . 70.18(8) yes
C2 . Cr2 . C3 . 38.84(7) yes
C13 . Cr2 . C3 . 105.86(8) yes
C14 . Cr2 . C3 . 119.79(8) yes
C4 . Cr2 . C3 . 39.58(8) yes
C5 . Cr2 . C11 . 137.30(7) yes
C2 . Cr2 . C11 . 111.43(7) yes
C13 . Cr2 . C11 . 63.60(6) yes
C14 . Cr2 . C11 . 74.88(6) yes
C4 . Cr2 . C11 . 175.97(7) yes
C3 . Cr2 . C11 . 143.62(7) yes
C21 . Cr3 . Cr3 2_565 58.91(5) yes
C21 . Cr3 . C26 . 38.26(7) yes
Cr3 2_565 Cr3 . C26 . 58.95(5) yes
C21 . Cr3 . C22 . 37.75(7) yes
Cr3 2_565 Cr3 . C22 . 92.50(5) yes
C26 . Cr3 . C22 . 68.60(7) yes
C21 . Cr3 . C25 . 68.59(7) yes
Cr3 2_565 Cr3 . C25 . 92.50(5) yes
C26 . Cr3 . C25 . 37.71(7) yes
C22 . Cr3 . C25 . 81.06(8) yes
C21 . Cr3 . C30 2_565 133.69(7) yes
Cr3 2_565 Cr3 . C30 2_565 78.14(5) yes
C26 . Cr3 . C30 2_565 105.91(7) yes
C22 . Cr3 . C30 2_565 170.65(7) yes
C25 . Cr3 . C30 2_565 99.21(7) yes
C21 . Cr3 . C27 2_565 105.66(7) yes
Cr3 2_565 Cr3 . C27 2_565 77.95(5) yes
C26 . Cr3 . C27 2_565 133.49(7) yes
C22 . Cr3 . C27 2_565 99.04(7) yes
C25 . Cr3 . C27 2_565 170.45(7) yes
C21 . Cr3 . C29 2_565 169.89(7) yes
Cr3 2_565 Cr3 . C29 2_565 111.18(5) yes
C26 . Cr3 . C29 2_565 140.62(7) yes
C22 . Cr3 . C29 2_565 149.06(8) yes
C25 . Cr3 . C29 2_565 116.00(8) yes
C21 . Cr3 . C28 2_565 140.30(7) yes
Cr3 2_565 Cr3 . C28 2_565 111.19(5) yes
C26 . Cr3 . C28 2_565 169.99(7) yes
C22 . Cr3 . C28 2_565 115.64(8) yes
C25 . Cr3 . C28 2_565 149.30(7) yes
C21 . Cr3 . C24 . 82.74(7) yes
Cr3 2_565 Cr3 . C24 . 128.63(6) yes
C26 . Cr3 . C24 . 69.74(7) yes
C22 . Cr3 . C24 . 69.80(8) yes
C25 . Cr3 . C24 . 38.71(7) yes
C21 . Cr3 . C23 . 69.95(7) yes
Cr3 2_565 Cr3 . C23 . 128.81(6) yes
C26 . Cr3 . C23 . 82.93(7) yes
C22 . Cr3 . C23 . 38.81(7) yes
C25 . Cr3 . C23 . 69.96(8) yes
C21 . Cr3 . C21 2_565 106.36(5) yes
Cr3 2_565 Cr3 . C21 2_565 47.45(4) yes
C26 . Cr3 . C21 2_565 95.60(6) yes
C22 . Cr3 . C21 2_565 136.82(7) yes
C25 . Cr3 . C21 2_565 111.28(7) yes
C30 2_565 Cr3 . C27 2_565 79.13(7) yes
C30 2_565 Cr3 . C29 2_565 38.58(7) yes
C27 2_565 Cr3 . C29 2_565 68.45(7) yes
C30 2_565 Cr3 . C28 2_565 68.54(7) yes
C27 2_565 Cr3 . C28 2_565 38.64(7) yes
C29 2_565 Cr3 . C28 2_565 38.01(7) yes
C30 2_565 Cr3 . C24 . 116.12(8) yes
C27 2_565 Cr3 . C24 . 150.12(8) yes
C29 2_565 Cr3 . C24 . 106.49(8) yes
C28 2_565 Cr3 . C24 . 120.02(8) yes
C30 2_565 Cr3 . C23 . 149.93(8) yes
C27 2_565 Cr3 . C23 . 115.97(8) yes
C29 2_565 Cr3 . C23 . 119.81(8) yes
C28 2_565 Cr3 . C23 . 106.06(8) yes
C24 . Cr3 . C23 . 39.19(8) yes
C30 2_565 Cr3 . C21 2_565 34.47(6) yes
C27 2_565 Cr3 . C21 2_565 62.22(7) yes
C29 2_565 Cr3 . C21 2_565 63.76(7) yes
C28 2_565 Cr3 . C21 2_565 75.11(7) yes
C24 . Cr3 . C21 2_565 143.93(7) yes
C23 . Cr3 . C21 2_565 175.61(7) yes
C42 . O1 . C31 . 111.90(14) yes
C33 . O2 . C32 . 112.58(14) yes
C35 . O3 . C34 . 112.79(15) yes
C36 . O4 . C37 . 112.55(14) yes
C39 . O5 . C38 . 112.54(14) yes
C40 . O6 . C41 . 113.73(14) yes
C44 . O7 . C45 . 113.01(14) yes
C47 . O8 . C46 . 111.19(13) yes
C48 . O9 . C43 2_655 113.09(14) yes

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
C17 Cr1 C18 C19 -130.97(17) . . . . no
C20 Cr1 C18 C19 -30.05(11) . . . . no
C10 Cr1 C20 C19 -120.20(13) . . . . no
C9 Cr1 C8 C7 -130.31(17) . . . . no
C10 Cr1 C8 C7 -99.69(12) . . . . no
C7 Cr1 C19 C18 -42.7(2) . . . . no
C8 Cr1 C19 C18 -78.39(13) . . . . no
C9 Cr1 C19 C18 -117.26(12) . . . . no
C10 Cr1 C19 C18 -157.25(11) . . . . no
C11 Cr1 C19 C18 103.90(12) . . . . no
C16 Cr1 C19 C18 66.85(12) . . . . no
C17 Cr1 C19 C18 30.21(11) . . . . no
C20 Cr1 C19 C18 131.32(17) . . . . no
C7 Cr1 C19 C20 -173.99(14) . . . . no
C8 Cr1 C19 C20 150.29(12) . . . . no
C9 Cr1 C19 C20 111.43(12) . . . . no
C8 Cr1 C7 C6 -125.08(17) . . . . no
C9 Cr1 C7 C6 -94.66(12) . . . . no
C10 Cr1 C7 C6 -56.10(11) . . . . no
C11 Cr1 C7 C6 45.86(15) . . . . no
C16 Cr1 C7 C6 76.79(12) . . . . no
C17 Cr1 C7 C6 114.97(12) . . . . no
C18 Cr1 C7 C6 151.83(11) . . . . no
C19 Cr1 C7 C6 -179.56(14) . . . . no
C9 Cr1 C7 C8 30.42(12) . . . . no
C10 Cr1 C7 C8 68.99(12) . . . . no
C11 Cr1 C7 C8 170.95(11) . . . . no
C16 Cr1 C7 C8 -158.13(11) . . . . no
C17 Cr1 C7 C8 -119.94(12) . . . . no
C18 Cr1 C7 C8 -83.09(13) . . . . no
C19 Cr1 C7 C8 -54.5(2) . . . . no
C8 Cr1 C20 C19 -57.9(2) . . . . no
C9 Cr1 C20 C19 -83.81(13) . . . . no
C20 Cr1 C9 C10 -70.70(13) . . . . no
C7 Cr1 C17 C16 -103.80(12) . . . . no
C8 Cr1 C17 C16 -140.33(11) . . . . no
C16 Cr1 C8 C7 33.94(17) . . . . no
C17 Cr1 C8 C7 71.45(13) . . . . no
C18 Cr1 C8 C7 111.89(12) . . . . no
C19 Cr1 C8 C7 152.20(12) . . . . no
C20 Cr1 C8 C7 -169.88(14) . . . . no
C7 Cr1 C8 C9 130.31(17) . . . . no
C10 Cr1 C8 C9 30.62(11) . . . . no
C16 Cr1 C8 C9 164.25(11) . . . . no
C17 Cr1 C8 C9 -158.25(11) . . . . no
C18 Cr1 C8 C9 -117.80(12) . . . . no
C19 Cr1 C8 C9 -77.50(13) . . . . no
C20 Cr1 C8 C9 -39.6(2) . . . . no
C11 Cr1 C16 C15 110.7(2) . . . . no
C17 Cr1 C16 C15 -117.0(2) . . . . no
C7 Cr1 C18 C17 -70.99(13) . . . . no
C7 Cr1 C9 C8 -30.59(11) . . . . no
C10 Cr1 C9 C8 -130.30(17) . . . . no
C11 Cr1 C9 C8 -163.68(11) . . . . no
C17 Cr1 C9 C8 40.4(2) . . . . no
C18 Cr1 C9 C8 78.01(13) . . . . no
C19 Cr1 C9 C8 118.49(12) . . . . no
C20 Cr1 C9 C8 159.00(11) . . . . no
C7 Cr1 C9 C10 99.71(12) . . . . no
C8 Cr1 C9 C10 130.30(17) . . . . no
C11 Cr1 C9 C10 -33.38(17) . . . . no
C17 Cr1 C9 C10 170.66(14) . . . . no
C18 Cr1 C9 C10 -151.69(12) . . . . no
C19 Cr1 C9 C10 -111.21(12) . . . . no
C18 Cr1 C11 C16 -66.47(11) . . . . no
C19 Cr1 C20 C11 -135.01(18) . . . . no
C18 Cr1 C16 C15 -144.81(19) . . . . no
C9 Cr1 C17 C16 -166.62(14) . . . . no
C7 Cr1 C10 C1 56.46(11) . . . . no
C7 Cr1 C16 C11 -142.92(10) . . . . no
C8 Cr1 C16 C11 -163.99(11) . . . . no
C10 Cr1 C16 C11 -53.31(14) . . . . no
C17 Cr1 C16 C11 132.31(16) . . . . no
C18 Cr1 C16 C11 104.45(12) . . . . no
C19 Cr1 C16 C11 66.09(11) . . . . no
C20 Cr1 C16 C11 28.68(10) . . . . no
C7 Cr1 C16 C15 -32.18(18) . . . . no
C8 Cr1 C16 C15 -53.3(2) . . . . no
C10 Cr1 C16 C15 57.4(2) . . . . no
C8 Cr1 C10 C9 -30.42(12) . . . . no
C11 Cr1 C10 C9 158.77(12) . . . . no
C18 Cr1 C20 C11 -104.58(13) . . . . no
C19 Cr1 C16 C15 176.83(18) . . . . no
C20 Cr1 C16 C15 139.41(18) . . . . no
C7 Cr1 C16 C17 84.78(12) . . . . no
C8 Cr1 C16 C17 63.71(15) . . . . no
C10 Cr1 C16 C17 174.39(12) . . . . no
C11 Cr1 C16 C17 -132.31(16) . . . . no
C18 Cr1 C16 C17 -27.85(12) . . . . no
C19 Cr1 C16 C17 -66.22(12) . . . . no
C20 Cr1 C16 C17 -103.63(12) . . . . no
C7 Cr1 C11 C16 53.11(14) . . . . no
C9 Cr1 C11 C16 163.93(11) . . . . no
C10 Cr1 C11 C16 143.09(10) . . . . no
C17 Cr1 C11 C16 -29.14(10) . . . . no
C16 Cr1 C18 C19 -103.77(12) . . . . no
C17 Cr1 C20 C11 -66.11(12) . . . . no
C16 Cr1 C10 C9 -170.12(12) . . . . no
C19 Cr1 C11 C16 -104.81(12) . . . . no
C11 Cr1 C17 C16 29.44(11) . . . . no
C18 Cr1 C17 C16 135.49(18) . . . . no
C19 Cr1 C17 C16 104.85(13) . . . . no
C20 Cr1 C17 C16 66.34(12) . . . . no
C7 Cr1 C17 C18 120.71(12) . . . . no
C8 Cr1 C17 C18 84.17(13) . . . . no
C9 Cr1 C17 C18 57.9(2) . . . . no
C11 Cr1 C17 C18 -106.05(13) . . . . no
C16 Cr1 C17 C18 -135.49(18) . . . . no
C19 Cr1 C17 C18 -30.64(12) . . . . no
C20 Cr1 C17 C18 -69.15(12) . . . . no
C11 Cr1 C18 C19 -66.64(12) . . . . no
C20 Cr1 C11 C12 116.5(2) . . . . no
C19 Cr1 C18 C17 130.97(17) . . . . no
C10 Cr1 C19 C20 71.43(13) . . . . no
C8 Cr1 C18 C17 -110.84(12) . . . . no
C9 Cr1 C18 C17 -149.76(12) . . . . no
C10 Cr1 C18 C17 174.58(14) . . . . no
C11 Cr1 C18 C17 64.33(12) . . . . no
C16 Cr1 C18 C17 27.20(11) . . . . no
C8 Cr1 C10 C1 94.98(12) . . . . no
C20 Cr1 C18 C17 100.92(13) . . . . no
C7 Cr1 C18 C19 158.04(11) . . . . no
C8 Cr1 C18 C19 118.19(12) . . . . no
C9 Cr1 C18 C19 79.27(13) . . . . no
C10 Cr1 C18 C19 43.6(2) . . . . no
C7 Cr1 C10 C9 -68.93(12) . . . . no
C16 Cr1 C20 C11 -29.06(11) . . . . no
C9 Cr1 C10 C1 125.40(17) . . . . no
C11 Cr1 C10 C1 -75.84(12) . . . . no
C16 Cr1 C10 C1 -44.73(15) . . . . no
C20 Cr1 C11 C16 -133.00(16) . . . . no
C11 Cr1 C20 C19 135.01(18) . . . . no
C16 Cr1 C20 C19 105.95(13) . . . . no
C17 Cr1 C19 C20 -101.11(13) . . . . no
C18 Cr1 C19 C20 -131.32(17) . . . . no
C10 Cr1 C11 C12 32.63(18) . . . . no
C16 Cr1 C11 C12 -110.5(2) . . . . no
C18 Cr1 C10 C1 -179.93(14) . . . . no
C19 Cr1 C10 C1 -150.86(11) . . . . no
C20 Cr1 C10 C1 -113.83(11) . . . . no
C10 Cr1 C20 C11 104.80(12) . . . . no
C19 Cr1 C11 C12 144.73(19) . . . . no
C7 Cr1 C11 C20 -173.89(12) . . . . no
C17 Cr1 C20 C19 68.90(13) . . . . no
C17 Cr1 C11 C12 -139.60(18) . . . . no
C11 Cr1 C19 C20 -27.42(12) . . . . no
C16 Cr1 C19 C20 -64.47(12) . . . . no
C18 Cr1 C10 C9 54.7(2) . . . . no
C19 Cr1 C10 C9 83.75(13) . . . . no
C8 Cr1 C20 C11 167.11(14) . . . . no
C20 Cr1 C10 C9 120.77(12) . . . . no
C18 Cr1 C20 C19 30.42(12) . . . . no
C18 Cr1 C11 C12 -176.93(18) . . . . no
C9 Cr1 C20 C11 141.19(11) . . . . no
C19 Cr1 C11 C20 28.19(12) . . . . no
C7 Cr1 C11 C12 -57.4(2) . . . . no
C17 Cr1 C11 C20 103.87(12) . . . . no
C18 Cr1 C11 C20 66.54(12) . . . . no
C16 Cr1 C11 C20 133.00(16) . . . . no
C9 Cr1 C11 C20 -63.07(15) . . . . no
C9 Cr1 C11 C12 53.5(2) . . . . no
C10 Cr1 C11 C20 -83.90(12) . . . . no
C14 Cr2 C2 C1 167.47(14) . . . . no
C2 Cr2 C3 C4 130.74(17) . . . . no
C4 Cr2 C1 C2 66.08(12) . . . . no
C15 Cr2 C3 C2 -173.88(14) . . . . no
C4 Cr2 C2 C3 30.88(12) . . . . no
C3 Cr2 C1 C10 145.02(18) . . . . no
C5 Cr2 C2 C3 69.42(12) . . . . no
C6 Cr2 C1 C2 132.43(16) . . . . no
C1 Cr2 C2 C3 136.08(18) . . . . no
C1 Cr2 C3 C4 103.94(12) . . . . no
C3 Cr2 C1 C2 27.56(12) . . . . no
C3 Cr2 C14 C13 -77.40(14) . . . . no
C5 Cr2 C1 C2 103.31(12) . . . . no
C12 Cr2 C1 C2 -84.32(12) . . . . no
C2 Cr2 C6 C7 139.77(18) . . . . no
C3 Cr2 C6 C7 177.01(18) . . . . no
C15 Cr2 C5 C6 -104.00(11) . . . . no
C12 Cr2 C2 C1 104.50(12) . . . . no
C13 Cr2 C2 C1 140.99(11) . . . . no
C1 Cr2 C6 C7 110.8(2) . . . . no
C4 Cr2 C1 C10 -176.46(17) . . . . no
C3 Cr2 C15 C16 -179.01(14) . . . . no
C4 Cr2 C2 C1 -105.20(13) . . . . no
C5 Cr2 C2 C1 -66.67(12) . . . . no
C6 Cr2 C2 C1 -29.43(11) . . . . no
C5 Cr2 C3 C2 -100.59(13) . . . . no
C14 Cr2 C5 C6 -140.53(11) . . . . no
C12 Cr2 C3 C2 72.30(13) . . . . no
C13 Cr2 C3 C2 112.11(12) . . . . no
C14 Cr2 C3 C2 150.96(12) . . . . no
C6 Cr2 C12 C11 -45.10(16) . . . . no
C13 Cr2 C12 C11 125.13(17) . . . . no
C13 Cr2 C1 C2 -63.37(16) . . . . no
C6 Cr2 C3 C2 -63.89(12) . . . . no
C14 Cr2 C2 C3 -56.4(2) . . . . no
C1 Cr2 C15 C16 45.87(16) . . . . no
C3 Cr2 C1 C6 -104.88(12) . . . . no
C4 Cr2 C1 C6 -66.36(11) . . . . no
C5 Cr2 C1 C6 -29.13(10) . . . . no
C12 Cr2 C1 C6 143.25(10) . . . . no
C13 Cr2 C1 C6 164.19(11) . . . . no
C15 Cr2 C1 C6 53.08(14) . . . . no
C2 Cr2 C1 C10 117.5(2) . . . . no
C12 Cr2 C14 C15 -99.76(13) . . . . no
C13 Cr2 C14 C15 -130.32(17) . . . . no
C1 Cr2 C15 C14 171.08(12) . . . . no
C3 Cr2 C15 C14 -53.8(2) . . . . no
C6 Cr2 C2 C3 106.65(13) . . . . no
C12 Cr2 C2 C3 -119.41(12) . . . . no
C13 Cr2 C2 C3 -82.93(13) . . . . no
C2 Cr2 C13 C14 158.61(11) . . . . no
C3 Cr2 C13 C14 118.29(12) . . . . no
C4 Cr2 C13 C14 77.71(13) . . . . no
C4 Cr2 C15 C16 152.05(11) . . . . no
C1 Cr2 C3 C2 -26.80(11) . . . . no
C4 Cr2 C3 C2 -130.74(17) . . . . no
C14 Cr2 C4 C5 -110.98(12) . . . . no
C15 Cr2 C4 C5 -71.31(13) . . . . no
C1 Cr2 C12 C11 -76.24(12) . . . . no
C2 Cr2 C12 C11 -114.30(12) . . . . no
C2 Cr2 C14 C13 -40.4(2) . . . . no
C4 Cr2 C14 C13 -117.80(12) . . . . no
C5 Cr2 C14 C13 -158.09(11) . . . . no
C14 Cr2 C12 C11 94.67(12) . . . . no
C5 Cr2 C3 C4 30.15(11) . . . . no
C15 Cr2 C1 C2 -174.49(12) . . . . no
C2 Cr2 C1 C6 -132.43(16) . . . . no
C3 Cr2 C14 C15 152.28(12) . . . . no
C4 Cr2 C14 C15 111.88(13) . . . . no
C3 Cr2 C2 C1 -136.08(18) . . . . no
C2 Cr2 C5 C6 66.42(11) . . . . no
C3 Cr2 C5 C6 105.03(12) . . . . no
C4 Cr2 C5 C6 135.77(17) . . . . no
C13 Cr2 C5 C6 -166.88(13) . . . . no
C15 Cr2 C6 C7 -32.23(18) . . . . no
C6 Cr2 C15 C16 76.85(12) . . . . no
C1 Cr2 C13 C12 -33.58(17) . . . . no
C2 Cr2 C13 C12 -71.05(13) . . . . no
C5 Cr2 C1 C10 -139.23(18) . . . . no
C6 Cr2 C1 C10 -110.10(19) . . . . no
C4 Cr2 C15 C14 -82.73(13) . . . . no
C2 Cr2 C6 C1 28.99(10) . . . . no
C3 Cr2 C6 C1 66.22(11) . . . . no
C4 Cr2 C6 C1 104.75(12) . . . . no
C5 Cr2 C6 C1 132.42(15) . . . . no
C12 Cr2 C6 C1 -53.21(14) . . . . no
C14 Cr2 C6 C1 -164.22(11) . . . . no
C15 Cr2 C6 C1 -143.02(10) . . . . no
C1 Cr2 C6 C5 -132.42(15) . . . . no
C13 Cr2 C4 C5 -149.84(12) . . . . no
C5 Cr2 C15 C16 115.13(12) . . . . no
C3 Cr2 C12 C11 -151.58(11) . . . . no
C4 Cr2 C12 C11 178.99(14) . . . . no
C12 Cr2 C6 C5 174.37(11) . . . . no
C14 Cr2 C6 C5 63.36(15) . . . . no
C15 Cr2 C6 C5 84.56(12) . . . . no
C15 Cr2 C12 C11 56.21(11) . . . . no
C1 Cr2 C12 C13 158.63(11) . . . . no
C2 Cr2 C12 C13 120.57(12) . . . . no
C3 Cr2 C12 C13 83.29(13) . . . . no
C4 Cr2 C12 C13 53.9(2) . . . . no
C6 Cr2 C12 C13 -170.23(11) . . . . no
C14 Cr2 C12 C13 -30.46(12) . . . . no
C15 Cr2 C12 C13 -68.92(12) . . . . no
C6 Cr2 C14 C15 34.20(17) . . . . no
C15 Cr2 C3 C4 -43.1(2) . . . . no
C12 Cr2 C4 C5 175.08(14) . . . . no
C12 Cr2 C15 C16 -56.22(11) . . . . no
C1 Cr2 C4 C3 -66.78(12) . . . . no
C2 Cr2 C4 C3 -30.35(11) . . . . no
C5 Cr2 C4 C3 -131.01(17) . . . . no
C12 Cr2 C1 C10 33.15(18) . . . . no
C13 Cr2 C1 C10 54.1(2) . . . . no
C15 Cr2 C1 C10 -57.0(2) . . . . no
C1 Cr2 C13 C14 -163.91(11) . . . . no
C1 Cr2 C4 C5 64.23(12) . . . . no
C2 Cr2 C4 C5 100.66(13) . . . . no
C5 Cr2 C13 C14 40.48(19) . . . . no
C12 Cr2 C13 C14 -130.34(17) . . . . no
C15 Cr2 C13 C14 -30.54(11) . . . . no
C6 Cr2 C4 C5 27.11(11) . . . . no
C14 Cr2 C6 C7 -53.4(2) . . . . no
C15 Cr2 C14 C13 130.32(17) . . . . no
C13 Cr2 C15 C16 -94.74(12) . . . . no
C14 Cr2 C15 C16 -125.21(18) . . . . no
C4 Cr2 C6 C5 -27.67(12) . . . . no
C1 Cr2 C5 C4 -106.38(13) . . . . no
C6 Cr2 C14 C13 164.52(11) . . . . no
C12 Cr2 C14 C13 30.57(11) . . . . no
C12 Cr2 C6 C7 57.6(2) . . . . no
C2 Cr2 C14 C15 -170.69(14) . . . . no
C14 Cr2 C5 C4 83.70(13) . . . . no
C15 Cr2 C5 C4 120.23(13) . . . . no
C1 Cr2 C5 C6 29.39(11) . . . . no
C5 Cr2 C14 C15 71.60(13) . . . . no
C14 Cr2 C3 C4 -78.31(13) . . . . no
C12 Cr2 C4 C3 44.1(2) . . . . no
C5 Cr2 C15 C14 -119.66(13) . . . . no
C6 Cr2 C15 C14 -157.94(12) . . . . no
C2 Cr2 C6 C5 -103.43(12) . . . . no
C3 Cr2 C6 C5 -66.20(12) . . . . no
C12 Cr2 C3 C4 -156.97(11) . . . . no
C6 Cr2 C4 C3 -103.90(12) . . . . no
C5 Cr2 C6 C7 -116.8(2) . . . . no
C4 Cr2 C6 C7 -144.47(19) . . . . no
C2 Cr2 C5 C4 -69.35(13) . . . . no
C12 Cr2 C15 C14 68.99(12) . . . . no
C13 Cr2 C15 C14 30.48(12) . . . . no
C6 Cr2 C3 C4 66.85(12) . . . . no
C3 Cr2 C4 C5 131.01(17) . . . . no
C13 Cr2 C3 C4 -117.15(12) . . . . no
C14 Cr2 C13 C12 130.34(17) . . . . no
C14 Cr2 C4 C3 118.01(12) . . . . no
C3 Cr2 C5 C4 -30.74(12) . . . . no
C6 Cr2 C5 C4 -135.77(17) . . . . no
C13 Cr2 C4 C3 79.15(13) . . . . no
C15 Cr2 C13 C12 99.79(12) . . . . no
C13 Cr2 C5 C4 57.36(19) . . . . no
C5 Cr2 C13 C12 170.81(13) . . . . no
C3 Cr2 C13 C12 -111.37(12) . . . . no
C4 Cr2 C13 C12 -151.96(12) . . . . no
C15 Cr2 C4 C3 157.68(11) . . . . no
C21 Cr3 C25 C26 -29.33(11) . . . . no
C24 Cr3 C21 C26 66.28(12) . . . . no
C22 Cr3 C26 C25 103.55(13) . . . . no
C25 Cr3 C21 C26 28.94(11) . . . . no
C23 Cr3 C26 C25 66.17(13) . . . . no
C21 Cr3 C26 C25 132.57(17) . . . . no
C26 Cr3 C23 C24 -66.41(12) . . . . no
C23 Cr3 C21 C26 104.54(12) . . . . no
C22 Cr3 C25 C26 -66.39(12) . . . . no
C21 Cr3 C24 C23 67.01(12) . . . . no
C26 Cr3 C24 C23 104.19(13) . . . . no
C21 Cr3 C24 C25 -64.57(12) . . . . no
C21 Cr3 C26 C27 -110.5(2) . . . . no
C22 Cr3 C26 C27 -139.50(19) . . . . no
C23 Cr3 C26 C27 -176.88(18) . . . . no
C22 Cr3 C23 C24 -130.79(17) . . . . no
C25 Cr3 C23 C24 -29.86(11) . . . . no
C26 Cr3 C25 C24 135.12(18) . . . . no
C22 Cr3 C21 C26 132.46(17) . . . . no
C23 Cr3 C22 C21 135.42(18) . . . . no
C22 Cr3 C24 C23 30.37(11) . . . . no
C25 Cr3 C24 C23 131.58(17) . . . . no
C21 Cr3 C22 C23 -135.42(18) . . . . no
C22 Cr3 C26 C21 -29.02(11) . . . . no
C23 Cr3 C26 C21 -66.40(12) . . . . no
C24 Cr3 C26 C21 -104.51(12) . . . . no
C25 Cr3 C26 C21 -132.57(17) . . . . no
C26 Cr3 C24 C25 -27.39(12) . . . . no
C21 Cr3 C23 C22 27.22(12) . . . . no
C24 Cr3 C26 C25 28.06(12) . . . . no
C24 Cr3 C23 C22 130.79(17) . . . . no
C23 Cr3 C21 C22 -27.93(12) . . . . no
C24 Cr3 C21 C22 -66.18(13) . . . . no
C25 Cr3 C21 C22 -103.53(13) . . . . no
C26 Cr3 C21 C22 -132.46(17) . . . . no
C25 Cr3 C26 C27 117.0(2) . . . . no
C23 Cr3 C24 C25 -131.58(17) . . . . no
C24 Cr3 C22 C21 104.78(13) . . . . no
C25 Cr3 C22 C21 66.39(12) . . . . no
C22 Cr3 C21 C30 -117.2(2) . . . . no
C23 Cr3 C21 C30 -145.11(19) . . . . no
C24 Cr3 C21 C30 176.63(18) . . . . no
C25 Cr3 C21 C30 139.29(18) . . . . no
C26 Cr3 C21 C30 110.4(2) . . . . no
C22 Cr3 C24 C25 -101.21(13) . . . . no
C22 Cr3 C25 C24 68.74(13) . . . . no
C23 Cr3 C25 C26 -104.92(13) . . . . no
C25 Cr3 C23 C22 100.93(13) . . . . no
C26 Cr3 C23 C22 64.38(12) . . . . no
C24 Cr3 C26 C27 145.01(19) . . . . no
C23 Cr3 C25 C24 30.20(12) . . . . no
C24 Cr3 C22 C23 -30.64(12) . . . . no
C25 Cr3 C22 C23 -69.03(13) . . . . no
C26 Cr3 C22 C21 29.39(11) . . . . no
C24 Cr3 C25 C26 -135.12(18) . . . . no
C26 Cr3 C22 C23 -106.04(13) . . . . no
C21 Cr3 C25 C24 105.79(13) . . . . no
C21 Cr3 C23 C24 -103.57(12) . . . . no
C31 O1 C42 C41 -178.73(17) . . . . no
C42 O1 C31 C32 -176.24(16) . . . . no
C33 O2 C32 C31 178.53(16) . . . . no
C32 O2 C33 C34 -178.89(16) . . . . no
C34 O3 C35 C36 -178.25(16) . . . . no
C35 O3 C34 C33 -174.82(16) . . . . no
C37 O4 C36 C35 175.81(17) . . . . no
C36 O4 C37 C38 176.48(16) . . . . no
C38 O5 C39 C40 -177.99(16) . . . . no
C39 O5 C38 C37 -178.95(16) . . . . no
C41 O6 C40 C39 170.85(16) . . . . no
C40 O6 C41 C42 -175.51(15) . . . . no
C45 O7 C44 C43 -173.29(16) . . . . no
C44 O7 C45 C46 179.24(16) . . . . no
C47 O8 C46 C45 -179.64(15) . . . . no
C46 O8 C47 C48 176.79(15) . . . . no
C2 C1 C6 C7 -169.30(16) . . . . no
C2 C1 C10 C9 -172.93(17) . . . . no
C10 C1 C2 Cr2 -116.42(17) . . . . no
C6 C1 C2 C3 3.9(3) . . . . no
Cr2 C1 C2 C3 -48.95(16) . . . . no
C6 C1 C10 C9 17.6(2) . . . . no
C2 C1 C6 C5 0.0(2) . . . . no
C2 C1 C10 Cr1 122.90(16) . . . . no
Cr2 C1 C6 C5 52.37(14) . . . . no
Cr2 C1 C10 C9 101.08(19) . . . . no
Cr2 C1 C10 Cr1 36.90(14) . . . . no
C10 C1 C6 Cr2 117.65(15) . . . . no
C10 C1 C2 C3 -165.37(17) . . . . no
C6 C1 C10 Cr1 -46.60(15) . . . . no
C10 C1 C6 C5 170.02(16) . . . . no
C2 C1 C6 Cr2 -52.33(14) . . . . no
C10 C1 C6 C7 0.7(2) . . . . no
Cr2 C1 C6 C7 -116.97(15) . . . . no
C6 C1 C2 Cr2 52.86(14) . . . . no
Cr2 C2 C3 C4 -54.94(16) . . . . no
C1 C2 C3 Cr2 50.97(16) . . . . no
C1 C2 C3 C4 -4.0(3) . . . . no
Cr2 C3 C4 C5 -56.39(16) . . . . no
C2 C3 C4 Cr2 56.42(16) . . . . no
C2 C3 C4 C5 0.0(3) . . . . no
C3 C4 C5 C6 3.9(3) . . . . no
Cr2 C4 C5 C6 -50.91(16) . . . . no
C3 C4 C5 Cr2 54.81(16) . . . . no
C4 C5 C6 Cr2 48.95(16) . . . . no
Cr2 C5 C6 C7 115.85(16) . . . . no
C4 C5 C6 C1 -3.9(3) . . . . no
C4 C5 C6 C7 164.79(17) . . . . no
Cr2 C5 C6 C1 -52.87(14) . . . . no
C1 C6 C7 C8 -18.5(2) . . . . no
C1 C6 C7 Cr1 45.70(15) . . . . no
Cr2 C6 C7 Cr1 -37.84(15) . . . . no
C5 C6 C7 C8 172.60(17) . . . . no
Cr2 C6 C7 C8 -102.05(19) . . . . no
C5 C6 C7 Cr1 -123.19(16) . . . . no
Cr1 C7 C8 C9 -55.43(15) . . . . no
C6 C7 C8 C9 18.3(3) . . . . no
C6 C7 C8 Cr1 73.76(16) . . . . no
C7 C8 C9 C10 0.2(3) . . . . no
C7 C8 C9 Cr1 55.97(15) . . . . no
Cr1 C8 C9 C10 -55.77(15) . . . . no
C8 C9 C10 C1 -18.4(3) . . . . no
C8 C9 C10 Cr1 55.23(15) . . . . no
Cr1 C9 C10 C1 -73.58(16) . . . . no
C12 C11 C16 C15 0.4(2) . . . . no
C20 C11 C12 C13 -173.45(17) . . . . no
C16 C11 C12 C13 17.7(2) . . . . no
C16 C11 C12 Cr2 -46.36(15) . . . . no
C12 C11 C16 C17 169.95(16) . . . . no
C20 C11 C16 C17 0.7(2) . . . . no
C12 C11 C16 Cr1 117.50(15) . . . . no
Cr1 C11 C16 C15 -117.12(15) . . . . no
C20 C11 C12 Cr2 122.50(16) . . . . no
Cr1 C11 C12 C13 101.20(19) . . . . no
C20 C11 C16 Cr1 -51.77(14) . . . . no
Cr1 C11 C16 C17 52.46(14) . . . . no
C20 C11 C16 C15 -168.89(16) . . . . no
Cr1 C11 C12 Cr2 37.15(15) . . . . no
C12 C11 C20 Cr1 -116.36(16) . . . . no
C12 C11 C20 C19 -166.13(17) . . . . no
C16 C11 C20 C19 2.5(3) . . . . no
C16 C11 C20 Cr1 52.28(14) . . . . no
Cr1 C11 C20 C19 -49.78(16) . . . . no
C11 C12 C13 Cr2 -73.44(16) . . . . no
C11 C12 C13 C14 -18.2(3) . . . . no
Cr2 C12 C13 C14 55.25(15) . . . . no
Cr2 C13 C14 C15 55.90(15) . . . . no
C12 C13 C14 Cr2 -55.85(15) . . . . no
C12 C13 C14 C15 0.1(3) . . . . no
C13 C14 C15 Cr2 -55.32(15) . . . . no
C13 C14 C15 C16 18.4(3) . . . . no
Cr2 C14 C15 C16 73.70(16) . . . . no
C14 C15 C16 Cr1 -102.08(19) . . . . no
C14 C15 C16 C11 -18.3(3) . . . . no
Cr2 C15 C16 Cr1 -37.87(15) . . . . no
Cr2 C15 C16 C11 45.89(15) . . . . no
C14 C15 C16 C17 172.57(17) . . . . no
Cr2 C15 C16 C17 -123.23(16) . . . . no
Cr1 C16 C17 C18 49.42(16) . . . . no
C11 C16 C17 C18 -3.7(3) . . . . no
C15 C16 C17 C18 165.25(17) . . . . no
C11 C16 C17 Cr1 -53.11(14) . . . . no
C15 C16 C17 Cr1 115.82(16) . . . . no
Cr1 C17 C18 C19 54.88(16) . . . . no
C16 C17 C18 Cr1 -51.41(16) . . . . no
C16 C17 C18 C19 3.5(3) . . . . no
Cr1 C18 C19 C20 56.06(16) . . . . no
C17 C18 C19 Cr1 -56.29(16) . . . . no
C17 C18 C19 C20 -0.2(3) . . . . no
Cr1 C19 C20 C11 51.90(16) . . . . no
C18 C19 C20 C11 -2.8(3) . . . . no
C18 C19 C20 Cr1 -54.66(16) . . . . no
Cr3 C21 C26 C25 -52.59(15) . . . . no
C22 C21 C26 C27 169.51(17) . . . . no
C30 C21 C26 Cr3 -117.18(16) . . . . no
C30 C21 C26 C27 -0.1(2) . . . . no
Cr3 C21 C30 C29 -102.06(19) . . . . no
C30 C21 C26 C25 -169.77(16) . . . . no
C22 C21 C26 Cr3 52.45(15) . . . . no
C26 C21 C22 C23 -3.6(3) . . . . no
C26 C21 C22 Cr3 -52.84(15) . . . . no
Cr3 C21 C22 C23 49.20(17) . . . . no
C30 C21 C22 Cr3 116.13(18) . . . . no
C30 C21 C22 C23 165.32(18) . . . . no
C22 C21 C26 C25 -0.1(3) . . . . no
Cr3 C21 C26 C27 117.06(16) . . . . no
C22 C21 C30 C29 172.11(18) . . . . no
C26 C21 C30 C29 -18.7(3) . . . . no
C21 C22 C23 Cr3 -51.17(17) . . . . no
C21 C22 C23 C24 4.2(3) . . . . no
Cr3 C22 C23 C24 55.38(16) . . . . no
C22 C23 C24 C25 -1.0(3) . . . . no
Cr3 C23 C24 C25 55.76(16) . . . . no
C22 C23 C24 Cr3 -56.71(17) . . . . no
C23 C24 C25 Cr3 -54.30(16) . . . . no
Cr3 C24 C25 C26 51.46(16) . . . . no
C23 C24 C25 C26 -2.8(3) . . . . no
Cr3 C25 C26 C27 -116.01(17) . . . . no
Cr3 C25 C26 C21 53.01(15) . . . . no
C24 C25 C26 Cr3 -49.65(16) . . . . no
C24 C25 C26 C27 -165.65(18) . . . . no
C24 C25 C26 C21 3.4(3) . . . . no
Cr3 C26 C27 C28 102.13(19) . . . . no
C25 C26 C27 C28 -172.14(18) . . . . no
C21 C26 C27 C28 18.6(3) . . . . no
C26 C27 C28 C29 -18.5(3) . . . . no
C27 C28 C29 C30 -0.6(3) . . . . no
C28 C29 C30 C21 19.4(3) . . . . no
O1 C31 C32 O2 67.7(2) . . . . no
O2 C33 C34 O3 -68.3(2) . . . . no
O3 C35 C36 O4 67.2(2) . . . . no
O4 C37 C38 O5 -68.2(2) . . . . no
O5 C39 C40 O6 66.8(2) . . . . no
O6 C41 C42 O1 -66.8(2) . . . . no
O7 C45 C46 O8 65.73(19) . . . . no
O8 C47 C48 O9 -65.41(19) . . . . no


# looking for ARCHIVE-HKL.CIF 

# end of ARCHIVE-HKL.CIF 
_exptl_crystal_recrystallization_method 'Vapour deposition'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
