# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

#===============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
;
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H60 Cr4 P4'
_chemical_formula_structural     ?
_chemical_formula_sum            'C40 H60 Cr4 P4'
_chemical_formula_iupac          ?
_chemical_formula_weight         872.76
_chemical_compound_source        'see text'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
P P 0.2955 0.4335 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_symmetry_Int_Tables_number      82

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 y,-x,-z
3 -x,-y,z
4 -y,x,-z
5 1/2+x,1/2+y,1/2+z
6 1/2+y,1/2-x,1/2-z
7 1/2-x,1/2-y,1/2+z
8 1/2-y,1/2+x,1/2-z

_cell_length_a                   11.9954(1)
_cell_length_b                   11.9954(1)
_cell_length_c                   13.9537(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2007.79(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(1)
_cell_measurement_reflns_used    3857
_cell_measurement_theta_min      4.8577
_cell_measurement_theta_max      74.3419
_cell_special_details            
;
;

_exptl_crystal_description       octahedron
_exptl_crystal_colour            'dark brown'

_exptl_crystal_size_max          0.0717
_exptl_crystal_size_mid          0.0471
_exptl_crystal_size_min          0.0435
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    10.395
_exptl_crystal_density_meas_temp ?

_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.600
_exptl_absorpt_correction_T_max  0.712

#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
;
;
_diffrn_ambient_temperature      123(1)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror

_diffrn_measurement_device_type  'SuperNova,Single source at offset,Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3546

# number of measured reflections (redundant set)
_diffrn_reflns_number            5961
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         4.86
_diffrn_reflns_theta_max         74.50
_diffrn_reflns_theta_full        74.50
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_reduction_process 
;
;

# number of unique reflections
_reflns_number_total             1985
# number of observed reflections (> n sig(I))
_reflns_number_gt                1951
_reflns_threshold_expression     >2σ(i)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999)'
_computing_publication_material  'PLATON (Spek, 2003)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
 Refinement on F² for ALL reflections except those
 flagged by the user for potential systematic errors.
 Weighted R-factors wR and all goodnesses of fit S
 are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The
 observed criterion of F² > 2sigma(F²) is used only
 for calculating -R-factor-obs etc. and is not
 relevant to the choice of reflections for refinement.
 R-factors based on F² are statistically about twice
 as large as those based on F, and R-factors based on
 ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0637P)²+1.0069P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom


# Permitted for _refine_ls_hydrogen_treatment :
# refall  - refined all H parameters
# refxyz  - refined H coordinates only
# refU    - refined H U only
# noref   - no refinement of H parameters
# constr  - H parameters constrained
# mixed   - some constrained, some independent
# undef   - H-atom parameters not defined
_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_abs_structure_details 'Flack H.D. (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.494(7)

# Permitted for _chemical_absolute_configuration:
# Absolute configuration details
# rm   = Det. by chiral ref. mol. with known abs.conf
# ad   = Det. by anomalous dispersion
# rmad = Det. by 'rm' and 'ad'
# syn  = Det. with reference to synthesis
# unk  = Unknown/Arbitrary
_chemical_absolute_configuration ?

_refine_ls_number_reflns         1985
_refine_ls_number_parameters     115
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0356
_refine_ls_wR_factor_ref         0.0929
_refine_ls_wR_factor_gt          0.0922
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.068

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Cr1 Cr Uani 0.10597(4) 0.06112(4) 0.57418(3) 1.000 0.0193(1) . .
P1 P Uani -0.07124(6) 0.12352(6) 0.58718(5) 1.000 0.0246(2) . .
C1 C Uani 0.2635(3) 0.0340(3) 0.6578(3) 1.000 0.0288(10) . .
C2 C Uani 0.2848(2) 0.1149(3) 0.5871(2) 1.000 0.0269(9) . .
C3 C Uani 0.2148(3) 0.2081(3) 0.6058(3) 1.000 0.0281(9) . .
C4 C Uani 0.1531(3) 0.1840(3) 0.6889(3) 1.000 0.0307(10) . .
C5 C Uani 0.1811(3) 0.0773(3) 0.7201(2) 1.000 0.0303(10) . .
C6 C Uani 0.3291(4) -0.0704(3) 0.6757(4) 1.000 0.0470(14) . .
C7 C Uani 0.3755(3) 0.1100(4) 0.5128(3) 1.000 0.0439(13) . .
C8 C Uani 0.2212(4) 0.3172(3) 0.5538(3) 1.000 0.0488(13) . .
C9 C Uani 0.0817(4) 0.2684(4) 0.7407(4) 1.000 0.0533(16) . .
C10 C Uani 0.1471(4) 0.0225(5) 0.8123(3) 1.000 0.0553(16) . .
H6A H Uiso 0.37440 -0.08660 0.62070 1.000 0.0710 calc R
H6B H Uiso 0.27880 -0.13130 0.68700 1.000 0.0710 calc R
H6C H Uiso 0.37590 -0.06020 0.73070 1.000 0.0710 calc R
H7A H Uiso 0.44350 0.13850 0.53940 1.000 0.0660 calc R
H7B H Uiso 0.35440 0.15420 0.45840 1.000 0.0660 calc R
H7C H Uiso 0.38640 0.03410 0.49310 1.000 0.0660 calc R
H8A H Uiso 0.15050 0.35450 0.55790 1.000 0.0730 calc R
H8B H Uiso 0.23930 0.30400 0.48780 1.000 0.0730 calc R
H8C H Uiso 0.27780 0.36290 0.58250 1.000 0.0730 calc R
H9A H Uiso 0.02310 0.23050 0.77440 1.000 0.0800 calc R
H9B H Uiso 0.04980 0.31910 0.69510 1.000 0.0800 calc R
H9C H Uiso 0.12670 0.30910 0.78550 1.000 0.0800 calc R
H10A H Uiso 0.20510 0.03210 0.85900 1.000 0.0830 calc R
H10B H Uiso 0.13500 -0.05560 0.80140 1.000 0.0830 calc R
H10C H Uiso 0.07960 0.05600 0.83540 1.000 0.0830 calc R


#===============================================================================

# 10. MOLECULAR GEOMETRY

_geom_special_details            
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr1 P1 2.2609(9) . . yes
Cr1 C1 2.245(4) . . yes
Cr1 C2 2.247(3) . . yes
Cr1 C3 2.238(4) . . yes
Cr1 C4 2.248(4) . . yes
Cr1 C5 2.235(3) . . yes
Cr1 P1 2.2646(8) . 2_556 yes
Cr1 P1 2.2610(9) . 3_555 yes
C1 C2 1.407(5) . . no
C1 C5 1.415(5) . . no
C1 C6 1.500(5) . . no
C2 C3 1.422(5) . . no
C2 C7 1.504(5) . . no
C3 C4 1.406(6) . . no
C3 C8 1.498(5) . . no
C4 C5 1.393(5) . . no
C4 C9 1.510(6) . . no
C5 C10 1.501(6) . . no
C6 H6A 0.9600 . . no
C6 H6B 0.9600 . . no
C6 H6C 0.9600 . . no
C7 H7A 0.9600 . . no
C7 H7B 0.9600 . . no
C7 H7C 0.9600 . . no
C8 H8A 0.9600 . . no
C8 H8B 0.9600 . . no
C8 H8C 0.9600 . . no
C9 H9A 0.9600 . . no
C9 H9B 0.9600 . . no
C9 H9C 0.9600 . . no
C10 H10A 0.9600 . . no
C10 H10B 0.9600 . . no
C10 H10C 0.9600 . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Cr1 C1 142.92(11) . . . yes
P1 Cr1 C2 142.75(9) . . . yes
P1 Cr1 C3 105.77(10) . . . yes
P1 Cr1 C4 87.84(9) . . . yes
P1 Cr1 C5 106.10(9) . . . yes
P1 Cr1 P1 98.59(3) . . 2_556 yes
P1 Cr1 P1 98.32(3) . . 3_555 yes
C1 Cr1 C2 36.51(13) . . . yes
C1 Cr1 C3 61.35(13) . . . yes
C1 Cr1 C4 60.87(13) . . . yes
C1 Cr1 C5 36.83(14) . . . yes
P1 Cr1 C1 116.51(11) 2_556 . . yes
P1 Cr1 C1 88.36(10) 3_555 . . yes
C2 Cr1 C3 36.98(13) . . . yes
C2 Cr1 C4 60.97(12) . . . yes
C2 Cr1 C5 61.13(11) . . . yes
P1 Cr1 C2 88.60(8) 2_556 . . yes
P1 Cr1 C2 116.79(9) 3_555 . . yes
C3 Cr1 C4 36.52(14) . . . yes
C3 Cr1 C5 61.10(14) . . . yes
P1 Cr1 C3 95.71(11) 2_556 . . yes
P1 Cr1 C3 149.71(10) 3_555 . . yes
C4 Cr1 C5 36.20(13) . . . yes
P1 Cr1 C4 130.49(10) 2_556 . . yes
P1 Cr1 C4 129.16(10) 3_555 . . yes
P1 Cr1 C5 149.72(9) 2_556 . . yes
P1 Cr1 C5 94.95(9) 3_555 . . yes
P1 Cr1 P1 98.59(3) 2_556 . 3_555 yes
Cr1 P1 Cr1 80.94(3) . . 3_555 yes
Cr1 P1 Cr1 80.74(3) . . 4_556 yes
Cr1 P1 Cr1 80.74(3) 3_555 . 4_556 yes
Cr1 C1 C2 71.85(19) . . . yes
Cr1 C1 C5 71.22(19) . . . yes
Cr1 C1 C6 130.5(3) . . . yes
C2 C1 C5 107.7(3) . . . no
C2 C1 C6 126.7(4) . . . no
C5 C1 C6 124.8(4) . . . no
Cr1 C2 C1 71.64(19) . . . yes
Cr1 C2 C3 71.15(17) . . . yes
Cr1 C2 C7 128.6(2) . . . yes
C1 C2 C3 107.8(3) . . . no
C1 C2 C7 126.0(3) . . . no
C3 C2 C7 125.8(3) . . . no
Cr1 C3 C2 71.88(19) . . . yes
Cr1 C3 C4 72.2(2) . . . yes
Cr1 C3 C8 128.5(3) . . . yes
C2 C3 C4 107.5(3) . . . no
C2 C3 C8 124.6(3) . . . no
C4 C3 C8 127.3(3) . . . no
Cr1 C4 C3 71.3(2) . . . yes
Cr1 C4 C5 71.4(2) . . . yes
Cr1 C4 C9 129.6(3) . . . yes
C3 C4 C5 108.7(3) . . . no
C3 C4 C9 123.8(4) . . . no
C5 C4 C9 127.1(4) . . . no
Cr1 C5 C1 72.0(2) . . . yes
Cr1 C5 C4 72.4(2) . . . yes
Cr1 C5 C10 129.3(3) . . . yes
C1 C5 C4 108.3(3) . . . no
C1 C5 C10 123.8(4) . . . no
C4 C5 C10 127.2(4) . . . no
C1 C6 H6A 109.00 . . . no
C1 C6 H6B 109.00 . . . no
C1 C6 H6C 110.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A C6 H6C 110.00 . . . no
H6B C6 H6C 109.00 . . . no
C2 C7 H7A 110.00 . . . no
C2 C7 H7B 109.00 . . . no
C2 C7 H7C 109.00 . . . no
H7A C7 H7B 109.00 . . . no
H7A C7 H7C 109.00 . . . no
H7B C7 H7C 109.00 . . . no
C3 C8 H8A 109.00 . . . no
C3 C8 H8B 109.00 . . . no
C3 C8 H8C 109.00 . . . no
H8A C8 H8B 110.00 . . . no
H8A C8 H8C 109.00 . . . no
H8B C8 H8C 110.00 . . . no
C4 C9 H9A 109.00 . . . no
C4 C9 H9B 109.00 . . . no
C4 C9 H9C 110.00 . . . no
H9A C9 H9B 109.00 . . . no
H9A C9 H9C 109.00 . . . no
H9B C9 H9C 110.00 . . . no
C5 C10 H10A 109.00 . . . no
C5 C10 H10B 109.00 . . . no
C5 C10 H10C 109.00 . . . no
H10A C10 H10B 110.00 . . . no
H10A C10 H10C 109.00 . . . no
H10B C10 H10C 110.00 . . . no

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
C1 Cr1 P1 Cr1 -107.65(16) . . . 3_555 no
C1 Cr1 P1 Cr1 170.35(16) . . . 4_556 no
C2 Cr1 P1 Cr1 -170.12(13) . . . 3_555 no
C2 Cr1 P1 Cr1 107.88(13) . . . 4_556 no
C3 Cr1 P1 Cr1 -170.74(11) . . . 3_555 no
C3 Cr1 P1 Cr1 107.26(11) . . . 4_556 no
C4 Cr1 P1 Cr1 -138.56(10) . . . 3_555 no
C4 Cr1 P1 Cr1 139.44(10) . . . 4_556 no
C5 Cr1 P1 Cr1 -106.92(10) . . . 3_555 no
C5 Cr1 P1 Cr1 171.08(10) . . . 4_556 no
P1 Cr1 P1 Cr1 90.79(3) 2_556 . . 3_555 no
P1 Cr1 P1 Cr1 8.78(3) 2_556 . . 4_556 no
P1 Cr1 P1 Cr1 -9.28(3) 3_555 . . 3_555 no
P1 Cr1 P1 Cr1 -91.28(3) 3_555 . . 4_556 no
P1 Cr1 C1 C2 -115.6(2) . . . . no
P1 Cr1 C1 C5 1.2(3) . . . . no
P1 Cr1 C1 C6 121.3(4) . . . . no
C2 Cr1 C1 C5 116.7(3) . . . . no
C2 Cr1 C1 C6 -123.1(5) . . . . no
C3 Cr1 C1 C2 -37.6(2) . . . . no
C3 Cr1 C1 C5 79.1(2) . . . . no
C3 Cr1 C1 C6 -160.8(4) . . . . no
C4 Cr1 C1 C2 -79.6(2) . . . . no
C4 Cr1 C1 C5 37.2(2) . . . . no
C4 Cr1 C1 C6 157.3(4) . . . . no
C5 Cr1 C1 C2 -116.7(3) . . . . no
C5 Cr1 C1 C6 120.1(5) . . . . no
P1 Cr1 C1 C2 44.0(2) 2_556 . . . no
P1 Cr1 C1 C5 160.72(18) 2_556 . . . no
P1 Cr1 C1 C6 -79.1(4) 2_556 . . . no
P1 Cr1 C1 C2 142.78(19) 3_555 . . . no
P1 Cr1 C1 C5 -100.5(2) 3_555 . . . no
P1 Cr1 C1 C6 19.7(4) 3_555 . . . no
P1 Cr1 C2 C1 116.0(2) . . . . no
P1 Cr1 C2 C3 -1.0(3) . . . . no
P1 Cr1 C2 C7 -122.2(3) . . . . no
C1 Cr1 C2 C3 -117.0(3) . . . . no
C1 Cr1 C2 C7 121.8(4) . . . . no
C3 Cr1 C2 C1 117.0(3) . . . . no
C3 Cr1 C2 C7 -121.2(4) . . . . no
C4 Cr1 C2 C1 79.3(2) . . . . no
C4 Cr1 C2 C3 -37.7(2) . . . . no
C4 Cr1 C2 C7 -158.9(4) . . . . no
C5 Cr1 C2 C1 37.7(2) . . . . no
C5 Cr1 C2 C3 -79.3(2) . . . . no
C5 Cr1 C2 C7 159.5(4) . . . . no
P1 Cr1 C2 C1 -141.6(2) 2_556 . . . no
P1 Cr1 C2 C3 101.4(2) 2_556 . . . no
P1 Cr1 C2 C7 -19.7(3) 2_556 . . . no
P1 Cr1 C2 C1 -42.6(2) 3_555 . . . no
P1 Cr1 C2 C3 -159.66(19) 3_555 . . . no
P1 Cr1 C2 C7 79.2(3) 3_555 . . . no
P1 Cr1 C3 C2 179.38(17) . . . . no
P1 Cr1 C3 C4 63.4(2) . . . . no
P1 Cr1 C3 C8 -60.5(4) . . . . no
C1 Cr1 C3 C2 37.16(19) . . . . no
C1 Cr1 C3 C4 -78.8(2) . . . . no
C1 Cr1 C3 C8 157.3(4) . . . . no
C2 Cr1 C3 C4 -116.0(3) . . . . no
C2 Cr1 C3 C8 120.2(4) . . . . no
C4 Cr1 C3 C2 116.0(3) . . . . no
C4 Cr1 C3 C8 -123.9(4) . . . . no
C5 Cr1 C3 C2 79.4(2) . . . . no
C5 Cr1 C3 C4 -36.6(2) . . . . no
C5 Cr1 C3 C8 -160.4(4) . . . . no
P1 Cr1 C3 C2 -80.00(19) 2_556 . . . no
P1 Cr1 C3 C4 164.1(2) 2_556 . . . no
P1 Cr1 C3 C8 40.2(3) 2_556 . . . no
P1 Cr1 C3 C2 38.0(3) 3_555 . . . no
P1 Cr1 C3 C4 -78.0(3) 3_555 . . . no
P1 Cr1 C3 C8 158.1(3) 3_555 . . . no
P1 Cr1 C4 C3 -120.5(2) . . . . no
P1 Cr1 C4 C5 121.4(2) . . . . no
P1 Cr1 C4 C9 -1.8(4) . . . . no
C1 Cr1 C4 C3 80.2(2) . . . . no
C1 Cr1 C4 C5 -37.8(2) . . . . no
C1 Cr1 C4 C9 -161.0(4) . . . . no
C2 Cr1 C4 C3 38.2(2) . . . . no
C2 Cr1 C4 C5 -79.8(2) . . . . no
C2 Cr1 C4 C9 157.0(4) . . . . no
C3 Cr1 C4 C5 -118.0(3) . . . . no
C3 Cr1 C4 C9 118.8(5) . . . . no
C5 Cr1 C4 C3 118.0(3) . . . . no
C5 Cr1 C4 C9 -123.2(5) . . . . no
P1 Cr1 C4 C3 -21.1(3) 2_556 . . . no
P1 Cr1 C4 C5 -139.12(18) 2_556 . . . no
P1 Cr1 C4 C9 97.7(4) 2_556 . . . no
P1 Cr1 C4 C3 140.49(18) 3_555 . . . no
P1 Cr1 C4 C5 22.5(3) 3_555 . . . no
P1 Cr1 C4 C9 -100.7(4) 3_555 . . . no
P1 Cr1 C5 C1 -179.27(18) . . . . no
P1 Cr1 C5 C4 -62.6(2) . . . . no
P1 Cr1 C5 C10 61.5(4) . . . . no
C1 Cr1 C5 C4 116.7(3) . . . . no
C1 Cr1 C5 C10 -119.2(5) . . . . no
C2 Cr1 C5 C1 -37.4(2) . . . . no
C2 Cr1 C5 C4 79.3(2) . . . . no
C2 Cr1 C5 C10 -156.6(4) . . . . no
C3 Cr1 C5 C1 -79.8(2) . . . . no
C3 Cr1 C5 C4 36.9(2) . . . . no
C3 Cr1 C5 C10 160.9(4) . . . . no
C4 Cr1 C5 C1 -116.7(3) . . . . no
C4 Cr1 C5 C10 124.1(5) . . . . no
P1 Cr1 C5 C1 -35.9(3) 2_556 . . . no
P1 Cr1 C5 C4 80.8(3) 2_556 . . . no
P1 Cr1 C5 C10 -155.1(3) 2_556 . . . no
P1 Cr1 C5 C1 80.6(2) 3_555 . . . no
P1 Cr1 C5 C4 -162.7(2) 3_555 . . . no
P1 Cr1 C5 C10 -38.6(4) 3_555 . . . no
P1 Cr1 P1 Cr1 -91.03(3) . . 2_556 2_556 no
P1 Cr1 P1 Cr1 -8.80(3) . . 2_556 4_556 no
C1 Cr1 P1 Cr1 101.27(11) . . 2_556 2_556 no
C1 Cr1 P1 Cr1 -176.50(11) . . 2_556 4_556 no
C2 Cr1 P1 Cr1 125.69(9) . . 2_556 2_556 no
C2 Cr1 P1 Cr1 -152.08(9) . . 2_556 4_556 no
C3 Cr1 P1 Cr1 162.02(10) . . 2_556 2_556 no
C3 Cr1 P1 Cr1 -115.74(10) . . 2_556 4_556 no
C4 Cr1 P1 Cr1 174.45(12) . . 2_556 2_556 no
C4 Cr1 P1 Cr1 -103.32(13) . . 2_556 4_556 no
C5 Cr1 P1 Cr1 124.38(19) . . 2_556 2_556 no
C5 Cr1 P1 Cr1 -153.38(19) . . 2_556 4_556 no
P1 Cr1 P1 Cr1 91.28(3) . . 3_555 2_556 no
P1 Cr1 P1 Cr1 9.28(3) . . 3_555 3_555 no
C1 Cr1 P1 Cr1 -125.35(11) . . 3_555 2_556 no
C1 Cr1 P1 Cr1 152.64(11) . . 3_555 3_555 no
C2 Cr1 P1 Cr1 -101.57(8) . . 3_555 2_556 no
C2 Cr1 P1 Cr1 176.42(8) . . 3_555 3_555 no
C3 Cr1 P1 Cr1 -126.1(2) . . 3_555 2_556 no
C3 Cr1 P1 Cr1 151.9(2) . . 3_555 3_555 no
C4 Cr1 P1 Cr1 -174.71(12) . . 3_555 2_556 no
C4 Cr1 P1 Cr1 103.28(12) . . 3_555 3_555 no
C5 Cr1 P1 Cr1 -161.62(9) . . 3_555 2_556 no
C5 Cr1 P1 Cr1 116.37(9) . . 3_555 3_555 no
Cr1 C1 C2 C3 62.3(2) . . . . no
Cr1 C1 C2 C7 -124.9(3) . . . . no
C5 C1 C2 Cr1 -62.6(2) . . . . no
C5 C1 C2 C3 -0.3(4) . . . . no
C5 C1 C2 C7 172.6(3) . . . . no
C6 C1 C2 Cr1 127.4(4) . . . . no
C6 C1 C2 C3 -170.3(4) . . . . no
C6 C1 C2 C7 2.6(6) . . . . no
Cr1 C1 C5 C4 -63.8(3) . . . . no
Cr1 C1 C5 C10 125.7(4) . . . . no
C2 C1 C5 Cr1 63.0(2) . . . . no
C2 C1 C5 C4 -0.8(4) . . . . no
C2 C1 C5 C10 -171.3(3) . . . . no
C6 C1 C5 Cr1 -126.8(4) . . . . no
C6 C1 C5 C4 169.5(4) . . . . no
C6 C1 C5 C10 -1.1(6) . . . . no
Cr1 C2 C3 C4 63.8(3) . . . . no
Cr1 C2 C3 C8 -124.8(4) . . . . no
C1 C2 C3 Cr1 -62.6(2) . . . . no
C1 C2 C3 C4 1.2(4) . . . . no
C1 C2 C3 C8 172.6(4) . . . . no
C7 C2 C3 Cr1 124.5(3) . . . . no
C7 C2 C3 C4 -171.7(3) . . . . no
C7 C2 C3 C8 -0.2(6) . . . . no
Cr1 C3 C4 C5 62.0(3) . . . . no
Cr1 C3 C4 C9 -125.7(4) . . . . no
C2 C3 C4 Cr1 -63.6(2) . . . . no
C2 C3 C4 C5 -1.7(4) . . . . no
C2 C3 C4 C9 170.7(4) . . . . no
C8 C3 C4 Cr1 125.2(4) . . . . no
C8 C3 C4 C5 -172.8(4) . . . . no
C8 C3 C4 C9 -0.5(6) . . . . no
Cr1 C4 C5 C1 63.5(2) . . . . no
Cr1 C4 C5 C10 -126.4(4) . . . . no
C3 C4 C5 Cr1 -62.0(3) . . . . no
C3 C4 C5 C1 1.5(4) . . . . no
C3 C4 C5 C10 171.7(4) . . . . no
C9 C4 C5 Cr1 126.1(4) . . . . no
C9 C4 C5 C1 -170.5(4) . . . . no
C9 C4 C5 C10 -0.3(7) . . . . no

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
P1 C3 3.587(4) . . no
P1 C4 3.128(4) . . no
P1 C5 3.593(3) . . no
P1 C9 3.313(5) . . no
P1 C6 3.391(5) . 3_555 no
P1 P1 3.4209(10) . 3_555 no
P1 Cr1 3.8947(9) . 2_556 no
P1 P1 3.4308(10) . 2_556 no
P1 P1 3.4308(10) . 4_556 no
P1 C1 3.140(4) . 3_555 no
P1 C5 3.314(3) . 3_555 no
P1 C7 3.361(4) . 4_556 no
P1 C2 3.151(3) . 4_556 no
P1 C3 3.338(4) . 4_556 no
P1 H9B 3.1400 . . no
P1 H6B 2.8500 . 3_555 no
P1 H10B 3.1900 . 3_555 no
P1 H9A 3.1200 . . no
P1 H7B 3.0100 . 4_556 no
C1 C3 2.287(5) . . no
C1 C4 2.276(5) . . no
C1 C7 2.594(6) . . no
C1 C10 2.572(6) . . no
C1 P1 3.140(4) . 3_555 no
C1 C6 3.473(6) . 6_556 no
C2 C6 2.598(5) . . no
C2 C4 2.281(5) . . no
C2 C5 2.279(4) . . no
C2 C8 2.586(5) . . no
C2 P1 3.151(3) . 2_556 no
C3 C1 2.287(5) . . no
C3 P1 3.587(4) . . no
C3 C9 2.572(7) . . no
C3 C5 2.274(5) . . no
C3 C7 2.605(5) . . no
C3 P1 3.338(4) . 2_556 no
C4 C8 2.603(6) . . no
C4 P1 3.128(4) . . no
C4 C1 2.276(5) . . no
C4 C2 2.281(5) . . no
C4 C10 2.593(7) . . no
C5 P1 3.314(3) . 3_555 no
C5 P1 3.593(3) . . no
C5 C2 2.279(4) . . no
C5 C3 2.274(5) . . no
C5 C6 2.584(6) . . no
C5 C9 2.600(6) . . no
C5 C6 3.502(5) . 6_556 no
C6 C5 3.502(5) . 8_546 no
C6 C1 3.473(6) . 8_546 no
C10 C10 3.570(7) . 3_555 no
C1 H6C 2.8400 . 6_556 no
C6 H6C 2.9900 . 6_556 no
C6 H10B 2.9200 . . no
C6 H8B 3.0700 . 2_556 no
C6 H7C 2.9200 . . no
C7 H6A 2.8000 . . no
C7 H8B 2.8600 . . no
C8 H9B 2.8500 . . no
C8 H6A 3.0000 . 4_556 no
C8 H7B 2.8500 . . no
C9 H8A 2.8700 . . no
C9 H10C 2.8700 . . no
C10 H6B 2.9900 . . no
C10 H9A 2.9500 . . no
C10 H10C 2.9000 . 3_555 no
H6A C7 2.8000 . . no
H6A H7C 2.3000 . . no
H6A C8 3.0000 . 2_556 no
H6A H8B 2.5200 . 2_556 no
H6A H7A 2.5400 . 3_655 no
H6B C10 2.9900 . . no
H6B H10B 2.5200 . . no
H6B P1 2.8500 . 3_555 no
H6C H6C 2.4000 . 6_556 no
H6C C1 2.8400 . 8_546 no
H6C C6 2.9900 . 8_546 no
H6C H6C 2.4000 . 8_546 no
H7A H6A 2.5400 . 3_655 no
H7A H10A 2.5800 . 6_556 no
H7B C8 2.8500 . . no
H7B H8B 2.3000 . . no
H7B P1 3.0100 . 2_556 no
H7B H9C 2.4600 . 7_554 no
H7C C6 2.9200 . . no
H7C H6A 2.3000 . . no
H7C H8A 2.3600 . 2_556 no
H8A C9 2.8700 . . no
H8A H9B 2.3000 . . no
H8A H7C 2.3600 . 4_556 no
H8B C7 2.8600 . . no
H8B H7B 2.3000 . . no
H8B C6 3.0700 . 4_556 no
H8B H6A 2.5200 . 4_556 no
H8C H10B 2.5700 . 6_556 no
H9A P1 3.1200 . . no
H9A C10 2.9500 . . no
H9A H10C 2.3600 . . no
H9B P1 3.1400 . . no
H9B C8 2.8500 . . no
H9B H8A 2.3000 . . no
H9C H7B 2.4600 . 7_555 no
H10A H7A 2.5800 . 8_546 no
H10B C6 2.9200 . . no
H10B H6B 2.5200 . . no
H10B P1 3.1900 . 3_555 no
H10B H8C 2.5700 . 8_546 no
H10C C9 2.8700 . . no
H10C H9A 2.3600 . . no
H10C C10 2.9000 . 3_555 no
H10C H10C 2.3300 . 3_555 no

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
#
#D   H   A   D - H  H...A   D...A    D - H...A  symm(A)
#
C6 H6B P1 0.9600 2.8500 3.391(5) 116.00 3_555 yes



#===END
_database_code_depnum_ccdc_archive 'CCDC 984791'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

#===============================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
;
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H45 As2 Cr3'

_chemical_formula_structural     ?
_chemical_formula_sum            'C30 H45 As2 Cr3'
_chemical_formula_iupac          ?
_chemical_formula_weight         711.50
_chemical_compound_source        'see text'

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 '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'
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_symmetry_Int_Tables_number      61

loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,-z
4 -x,1/2+y,1/2-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,z
8 x,1/2-y,1/2+z

_cell_length_a                   15.3898(3)
_cell_length_b                   18.4053(3)
_cell_length_c                   21.8004(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6175.05(19)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(1)
_cell_measurement_reflns_used    69244
_cell_measurement_theta_min      2.8698
_cell_measurement_theta_max      74.1188
_cell_special_details            
;
;

_exptl_crystal_description       block
_exptl_crystal_colour            'dark green'

_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_exptl_crystal_size_rad          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             2904
_exptl_absorpt_coefficient_mu    11.039
_exptl_crystal_density_meas_temp ?


_exptl_absorpt_correction_type   analytical

_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_absorpt_correction_T_min  0.143
_exptl_absorpt_correction_T_max  0.377

#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
;
;
_diffrn_ambient_temperature      123(1)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror

_diffrn_measurement_device_type  'SuperNova,Single source at offset,Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3546

# number of measured reflections (redundant set)
_diffrn_reflns_number            119504
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0111
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         4.06
_diffrn_reflns_theta_max         74.27
_diffrn_reflns_theta_full        74.27
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_reduction_process 
;
;

# number of unique reflections
_reflns_number_total             6281
# number of observed reflections (> n sig(I))
_reflns_number_gt                6157
_reflns_threshold_expression     >2σ(i)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR-97 (Altomare, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 2003)'

#===============================================================================

# 8. REFINEMENT DATA

_refine_special_details          
;
 Refinement on F² for ALL reflections except those
 flagged by the user for potential systematic errors.
 Weighted R-factors wR and all goodnesses of fit S
 are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The
 observed criterion of F² > 2sigma(F²) is used only
 for calculating -R-factor-obs etc. and is not
 relevant to the choice of reflections for refinement.
 R-factors based on F² are statistically about twice
 as large as those based on F, and R-factors based on
 ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0446P)²+5.5198P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom



_refine_ls_hydrogen_treatment    constr

_refine_ls_extinction_method     none
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   .
_refine_ls_number_reflns         6281
_refine_ls_number_parameters     331
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0757
_refine_ls_wR_factor_gt          0.0754
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.111

#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
As1 As Uani 0.34158(1) 0.24326(1) 0.18009(1) 1.000 0.0248(1) . .
As2 As Uani 0.51899(1) 0.23373(1) 0.06853(1) 1.000 0.0247(1) . .
Cr1 Cr Uani 0.46275(2) 0.16425(2) 0.15434(1) 1.000 0.0177(1) . .
Cr2 Cr Uani 0.46752(2) 0.31434(2) 0.14908(1) 1.000 0.0173(1) . .
Cr3 Cr Uani 0.36111(2) 0.23860(2) 0.06917(1) 1.000 0.0188(1) . .
C1 C Uani 0.55989(14) 0.11139(11) 0.21555(11) 1.000 0.0318(6) . .
C2 C Uani 0.47600(16) 0.09539(12) 0.23842(9) 1.000 0.0328(6) . .
C3 C Uani 0.43157(13) 0.05537(11) 0.19313(11) 1.000 0.0315(6) . .
C4 C Uani 0.48843(15) 0.04592(11) 0.14256(10) 1.000 0.0279(6) . .
C5 C Uani 0.56786(14) 0.08036(11) 0.15675(10) 1.000 0.0280(6) . .
C6 C Uani 0.6314(2) 0.14899(17) 0.2500(2) 1.000 0.0801(13) . .
C7 C Uani 0.4409(3) 0.1136(2) 0.30051(12) 1.000 0.0829(13) . .
C8 C Uani 0.34137(17) 0.02539(17) 0.1987(2) 1.000 0.0830(15) . .
C9 C Uani 0.4712(3) 0.00370(16) 0.08527(15) 1.000 0.0727(13) . .
C10 C Uani 0.64955(19) 0.07967(18) 0.11918(17) 1.000 0.0674(11) . .
C11 C Uani 0.45257(13) 0.40802(11) 0.21368(9) 1.000 0.0247(6) . .
C12 C Uani 0.45428(13) 0.43461(10) 0.15252(9) 1.000 0.0242(6) . .
C13 C Uani 0.53680(13) 0.41711(10) 0.12633(9) 1.000 0.0227(5) . .
C14 C Uani 0.58590(12) 0.37917(10) 0.17134(9) 1.000 0.0230(5) . .
C15 C Uani 0.53345(13) 0.37342(11) 0.22532(9) 1.000 0.0239(5) . .
C16 C Uani 0.38044(16) 0.41864(12) 0.25890(11) 1.000 0.0370(7) . .
C17 C Uani 0.38391(16) 0.47855(13) 0.12277(12) 1.000 0.0395(7) . .
C18 C Uani 0.56718(16) 0.43716(13) 0.06352(10) 1.000 0.0344(7) . .
C19 C Uani 0.67751(14) 0.35346(13) 0.16316(11) 1.000 0.0347(7) . .
C20 C Uani 0.55963(17) 0.34148(13) 0.28577(10) 1.000 0.0373(7) . .
C21 C Uani 0.31349(12) 0.29468(11) -0.01512(8) 1.000 0.0226(5) . .
C22 C Uani 0.24280(12) 0.28843(10) 0.02702(8) 1.000 0.0200(5) . .
C23 C Uani 0.22655(12) 0.21310(11) 0.03668(9) 1.000 0.0222(5) . .
C24 C Uani 0.28741(13) 0.17336(11) 0.00075(9) 1.000 0.0263(6) . .
C25 C Uani 0.34029(13) 0.22351(13) -0.03172(9) 1.000 0.0271(6) . .
C26 C Uani 0.35118(15) 0.36393(14) -0.03972(11) 1.000 0.0354(7) . .
C27 C Uani 0.19118(14) 0.34928(12) 0.05411(10) 1.000 0.0287(6) . .
C28 C Uani 0.15522(14) 0.18278(14) 0.07565(11) 1.000 0.0340(7) . .
C29 C Uani 0.29281(16) 0.09206(12) -0.00533(13) 1.000 0.0427(8) . .
C30 C Uani 0.40707(16) 0.20593(17) -0.07959(11) 1.000 0.0436(8) . .
H6A H Uiso 0.66830 0.11340 0.26890 1.000 0.1200 calc R
H6B H Uiso 0.60670 0.17970 0.28110 1.000 0.1200 calc R
H6C H Uiso 0.66500 0.17800 0.22210 1.000 0.1200 calc R
H7A H Uiso 0.38000 0.12410 0.29740 1.000 0.1240 calc R
H7B H Uiso 0.47080 0.15530 0.31640 1.000 0.1240 calc R
H7C H Uiso 0.44950 0.07310 0.32760 1.000 0.1240 calc R
H8A H Uiso 0.34340 -0.02070 0.21920 1.000 0.1250 calc R
H8B H Uiso 0.31690 0.01920 0.15850 1.000 0.1250 calc R
H8C H Uiso 0.30610 0.05850 0.22190 1.000 0.1250 calc R
H9A H Uiso 0.49230 0.03040 0.05050 1.000 0.1090 calc R
H9B H Uiso 0.40980 -0.00420 0.08100 1.000 0.1090 calc R
H9C H Uiso 0.50050 -0.04230 0.08750 1.000 0.1090 calc R
H10A H Uiso 0.67820 0.12580 0.12270 1.000 0.1010 calc R
H10B H Uiso 0.63530 0.07070 0.07700 1.000 0.1010 calc R
H10C H Uiso 0.68740 0.04200 0.13380 1.000 0.1010 calc R
H16A H Uiso 0.39040 0.46250 0.28180 1.000 0.0550 calc R
H16B H Uiso 0.37860 0.37800 0.28650 1.000 0.0550 calc R
H16C H Uiso 0.32610 0.42220 0.23740 1.000 0.0550 calc R
H17A H Uiso 0.32830 0.45840 0.13320 1.000 0.0590 calc R
H17B H Uiso 0.39130 0.47750 0.07910 1.000 0.0590 calc R
H17C H Uiso 0.38710 0.52780 0.13700 1.000 0.0590 calc R
H18A H Uiso 0.59700 0.48290 0.06510 1.000 0.0520 calc R
H18B H Uiso 0.51810 0.44100 0.03660 1.000 0.0520 calc R
H18C H Uiso 0.60600 0.40040 0.04850 1.000 0.0520 calc R
H19A H Uiso 0.68310 0.32970 0.12410 1.000 0.0520 calc R
H19B H Uiso 0.69190 0.31990 0.19530 1.000 0.0520 calc R
H19C H Uiso 0.71630 0.39430 0.16480 1.000 0.0520 calc R
H20A H Uiso 0.56300 0.37930 0.31600 1.000 0.0560 calc R
H20B H Uiso 0.61540 0.31850 0.28180 1.000 0.0560 calc R
H20C H Uiso 0.51730 0.30610 0.29830 1.000 0.0560 calc R
H26A H Uiso 0.32950 0.37240 -0.08040 1.000 0.0530 calc R
H26B H Uiso 0.41340 0.36010 -0.04090 1.000 0.0530 calc R
H26C H Uiso 0.33480 0.40360 -0.01360 1.000 0.0530 calc R
H27A H Uiso 0.22190 0.39420 0.04860 1.000 0.0430 calc R
H27B H Uiso 0.18270 0.34060 0.09710 1.000 0.0430 calc R
H27C H Uiso 0.13580 0.35210 0.03400 1.000 0.0430 calc R
H28A H Uiso 0.10370 0.17700 0.05130 1.000 0.0510 calc R
H28B H Uiso 0.14360 0.21550 0.10900 1.000 0.0510 calc R
H28C H Uiso 0.17260 0.13640 0.09170 1.000 0.0510 calc R
H29A H Uiso 0.26580 0.06970 0.02960 1.000 0.0640 calc R
H29B H Uiso 0.35270 0.07760 -0.00740 1.000 0.0640 calc R
H29C H Uiso 0.26340 0.07710 -0.04200 1.000 0.0640 calc R
H30A H Uiso 0.38020 0.20580 -0.11930 1.000 0.0650 calc R
H30B H Uiso 0.43150 0.15890 -0.07140 1.000 0.0650 calc R
H30C H Uiso 0.45230 0.24180 -0.07870 1.000 0.0650 calc R


#===============================================================================

# 10. MOLECULAR GEOMETRY

_geom_special_details            
;
 Bond distances, angles etc. have been calculated using the
 rounded fractional coordinates. All su's are estimated
 from the variances of the (full) variance-covariance matrix.
 The cell esds are taken into account in the estimation of
 distances, angles and torsion angles
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
As1 Cr1 2.4304(4) . . yes
As1 Cr2 2.4340(4) . . yes
As1 Cr3 2.4381(4) . . yes
As2 Cr1 2.4258(4) . . yes
As2 Cr2 2.4316(4) . . yes
As2 Cr3 2.4315(4) . . yes
Cr1 C1 2.228(2) . . yes
Cr1 C2 2.238(2) . . yes
Cr1 C3 2.227(2) . . yes
Cr1 C4 2.228(2) . . yes
Cr1 C5 2.237(2) . . yes
Cr2 C11 2.238(2) . . yes
Cr2 C12 2.2243(19) . . yes
Cr2 C13 2.2273(19) . . yes
Cr2 C14 2.2313(19) . . yes
Cr2 C15 2.230(2) . . yes
Cr3 C21 2.2314(18) . . yes
Cr3 C22 2.2362(19) . . yes
Cr3 C23 2.2384(19) . . yes
Cr3 C24 2.226(2) . . yes
Cr3 C25 2.240(2) . . yes
C1 C2 1.415(3) . . no
C1 C5 1.409(3) . . no
C1 C6 1.501(4) . . no
C2 C3 1.409(3) . . no
C2 C7 1.495(4) . . no
C3 C4 1.418(3) . . no
C3 C8 1.499(3) . . no
C4 C5 1.411(3) . . no
C4 C9 1.495(4) . . no
C5 C10 1.501(4) . . no
C11 C12 1.421(3) . . no
C11 C15 1.421(3) . . no
C11 C16 1.497(3) . . no
C12 C13 1.429(3) . . no
C12 C17 1.499(3) . . no
C13 C14 1.422(3) . . no
C13 C18 1.493(3) . . no
C14 C15 1.431(3) . . no
C14 C19 1.498(3) . . no
C15 C20 1.498(3) . . no
C21 C22 1.429(3) . . no
C21 C25 1.420(3) . . no
C21 C26 1.500(3) . . no
C22 C23 1.425(3) . . no
C22 C27 1.495(3) . . no
C23 C24 1.423(3) . . no
C23 C28 1.496(3) . . no
C24 C25 1.420(3) . . no
C24 C29 1.505(3) . . no
C25 C30 1.500(3) . . no
C6 H6A 0.9600 . . no
C6 H6B 0.9600 . . no
C6 H6C 0.9600 . . no
C7 H7A 0.9600 . . no
C7 H7B 0.9600 . . no
C7 H7C 0.9600 . . no
C8 H8A 0.9600 . . no
C8 H8B 0.9600 . . no
C8 H8C 0.9600 . . no
C9 H9A 0.9600 . . no
C9 H9B 0.9600 . . no
C9 H9C 0.9600 . . no
C10 H10A 0.9600 . . no
C10 H10B 0.9600 . . no
C10 H10C 0.9600 . . no
C16 H16A 0.9600 . . no
C16 H16B 0.9600 . . no
C16 H16C 0.9600 . . no
C17 H17A 0.9600 . . no
C17 H17B 0.9600 . . no
C17 H17C 0.9600 . . no
C18 H18A 0.9600 . . no
C18 H18B 0.9600 . . no
C18 H18C 0.9600 . . no
C19 H19A 0.9600 . . no
C19 H19B 0.9600 . . no
C19 H19C 0.9600 . . no
C20 H20A 0.9600 . . no
C20 H20B 0.9600 . . no
C20 H20C 0.9600 . . no
C26 H26A 0.9600 . . no
C26 H26B 0.9600 . . no
C26 H26C 0.9600 . . no
C27 H27A 0.9600 . . no
C27 H27B 0.9600 . . no
C27 H27C 0.9600 . . no
C28 H28A 0.9600 . . no
C28 H28B 0.9600 . . no
C28 H28C 0.9600 . . no
C29 H29A 0.9600 . . no
C29 H29B 0.9600 . . no
C29 H29C 0.9600 . . no
C30 H30A 0.9600 . . no
C30 H30B 0.9600 . . no
C30 H30C 0.9600 . . no

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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cr1 As1 Cr2 69.30(1) . . . yes
Cr1 As1 Cr3 69.84(1) . . . yes
Cr2 As1 Cr3 69.23(1) . . . yes
Cr1 As2 Cr2 69.41(1) . . . yes
Cr1 As2 Cr3 70.02(1) . . . yes
Cr2 As2 Cr3 69.37(1) . . . yes
As1 Cr1 As2 97.85(1) . . . yes
As1 Cr1 C1 129.63(6) . . . yes
As1 Cr1 C2 102.69(6) . . . yes
As1 Cr1 C3 106.58(5) . . . yes
As1 Cr1 C4 138.37(6) . . . yes
As1 Cr1 C5 164.24(6) . . . yes
As2 Cr1 C1 116.92(6) . . . yes
As2 Cr1 C2 153.86(6) . . . yes
As2 Cr1 C3 147.56(6) . . . yes
As2 Cr1 C4 111.29(6) . . . yes
As2 Cr1 C5 97.12(6) . . . yes
C1 Cr1 C2 36.95(9) . . . yes
C1 Cr1 C3 61.59(8) . . . yes
C1 Cr1 C4 61.52(8) . . . yes
C1 Cr1 C5 36.79(8) . . . yes
C2 Cr1 C3 36.78(8) . . . yes
C2 Cr1 C4 61.62(8) . . . yes
C2 Cr1 C5 61.57(8) . . . yes
C3 Cr1 C4 37.12(8) . . . yes
C3 Cr1 C5 61.70(8) . . . yes
C4 Cr1 C5 36.85(8) . . . yes
As1 Cr2 As2 97.59(1) . . . yes
As1 Cr2 C11 99.06(5) . . . yes
As1 Cr2 C12 116.91(5) . . . yes
As1 Cr2 C13 154.09(5) . . . yes
As1 Cr2 C14 151.31(5) . . . yes
As1 Cr2 C15 114.67(5) . . . yes
As2 Cr2 C11 163.33(5) . . . yes
As2 Cr2 C12 131.41(5) . . . yes
As2 Cr2 C13 101.62(5) . . . yes
As2 Cr2 C14 102.55(5) . . . yes
As2 Cr2 C15 133.43(5) . . . yes
C11 Cr2 C12 37.12(7) . . . yes
C11 Cr2 C13 62.29(7) . . . yes
C11 Cr2 C14 62.29(7) . . . yes
C11 Cr2 C15 37.08(7) . . . yes
C12 Cr2 C13 37.45(7) . . . yes
C12 Cr2 C14 62.30(7) . . . yes
C12 Cr2 C15 62.05(7) . . . yes
C13 Cr2 C14 37.19(7) . . . yes
C13 Cr2 C15 62.23(7) . . . yes
C14 Cr2 C15 37.41(7) . . . yes
As1 Cr3 As2 97.48(1) . . . yes
As1 Cr3 C21 139.46(5) . . . yes
As1 Cr3 C22 107.02(5) . . . yes
As1 Cr3 C23 101.96(5) . . . yes
As1 Cr3 C24 128.38(5) . . . yes
As1 Cr3 C25 163.85(5) . . . yes
As2 Cr3 C21 109.91(5) . . . yes
As2 Cr3 C22 145.73(5) . . . yes
As2 Cr3 C23 156.20(5) . . . yes
As2 Cr3 C24 119.04(5) . . . yes
As2 Cr3 C25 97.62(5) . . . yes
C21 Cr3 C22 37.30(7) . . . yes
C21 Cr3 C23 62.13(7) . . . yes
C21 Cr3 C24 61.98(7) . . . yes
C21 Cr3 C25 37.04(8) . . . yes
C22 Cr3 C23 37.13(7) . . . yes
C22 Cr3 C24 62.03(7) . . . yes
C22 Cr3 C25 62.02(7) . . . yes
C23 Cr3 C24 37.18(7) . . . yes
C23 Cr3 C25 62.03(7) . . . yes
C24 Cr3 C25 37.07(8) . . . yes
Cr1 C1 C2 71.92(12) . . . yes
Cr1 C1 C5 71.97(13) . . . yes
Cr1 C1 C6 126.18(17) . . . yes
C2 C1 C5 108.40(19) . . . no
C2 C1 C6 126.1(2) . . . no
C5 C1 C6 125.3(2) . . . no
Cr1 C2 C1 71.13(12) . . . yes
Cr1 C2 C3 71.21(12) . . . yes
Cr1 C2 C7 125.56(19) . . . yes
C1 C2 C3 107.74(19) . . . no
C1 C2 C7 127.0(2) . . . no
C3 C2 C7 125.2(3) . . . no
Cr1 C3 C2 72.01(12) . . . yes
Cr1 C3 C4 71.48(12) . . . yes
Cr1 C3 C8 124.16(17) . . . yes
C2 C3 C4 108.02(18) . . . no
C2 C3 C8 125.8(2) . . . no
C4 C3 C8 126.1(2) . . . no
Cr1 C4 C3 71.41(12) . . . yes
Cr1 C4 C5 71.90(12) . . . yes
Cr1 C4 C9 124.96(17) . . . yes
C3 C4 C5 108.00(19) . . . no
C3 C4 C9 127.2(2) . . . no
C5 C4 C9 124.8(2) . . . no
Cr1 C5 C1 71.25(12) . . . yes
Cr1 C5 C4 71.25(12) . . . yes
Cr1 C5 C10 126.79(18) . . . yes
C1 C5 C4 107.83(19) . . . no
C1 C5 C10 125.0(2) . . . no
C4 C5 C10 127.0(2) . . . no
Cr2 C11 C12 70.91(11) . . . yes
Cr2 C11 C15 71.16(11) . . . yes
Cr2 C11 C16 126.23(14) . . . yes
C12 C11 C15 107.81(17) . . . no
C12 C11 C16 125.92(18) . . . no
C15 C11 C16 126.18(18) . . . no
Cr2 C12 C11 71.97(11) . . . yes
Cr2 C12 C13 71.39(11) . . . yes
Cr2 C12 C17 126.05(15) . . . yes
C11 C12 C13 108.29(17) . . . no
C11 C12 C17 125.35(19) . . . no
C13 C12 C17 126.20(18) . . . no
Cr2 C13 C12 71.16(11) . . . yes
Cr2 C13 C14 71.56(11) . . . yes
Cr2 C13 C18 124.33(14) . . . yes
C12 C13 C14 107.89(17) . . . no
C12 C13 C18 126.08(18) . . . no
C14 C13 C18 126.00(18) . . . no
Cr2 C14 C13 71.25(11) . . . yes
Cr2 C14 C15 71.26(11) . . . yes
Cr2 C14 C19 125.01(14) . . . yes
C13 C14 C15 107.70(16) . . . no
C13 C14 C19 124.98(18) . . . no
C15 C14 C19 127.27(18) . . . no
Cr2 C15 C11 71.76(11) . . . yes
Cr2 C15 C14 71.33(11) . . . yes
Cr2 C15 C20 125.91(15) . . . yes
C11 C15 C14 108.31(17) . . . no
C11 C15 C20 124.65(19) . . . no
C14 C15 C20 126.92(19) . . . no
Cr3 C21 C22 71.54(10) . . . yes
Cr3 C21 C25 71.81(11) . . . yes
Cr3 C21 C26 124.10(14) . . . yes
C22 C21 C25 108.11(17) . . . no
C22 C21 C26 126.37(18) . . . no
C25 C21 C26 125.49(18) . . . no
Cr3 C22 C21 71.17(10) . . . yes
Cr3 C22 C23 71.52(11) . . . yes
Cr3 C22 C27 125.29(13) . . . yes
C21 C22 C23 107.89(16) . . . no
C21 C22 C27 126.76(17) . . . no
C23 C22 C27 125.28(17) . . . no
Cr3 C23 C22 71.35(11) . . . yes
Cr3 C23 C24 70.92(11) . . . yes
Cr3 C23 C28 125.26(14) . . . yes
C22 C23 C24 107.66(17) . . . no
C22 C23 C28 125.16(18) . . . no
C24 C23 C28 127.13(19) . . . no
Cr3 C24 C23 71.90(11) . . . yes
Cr3 C24 C25 72.02(12) . . . yes
Cr3 C24 C29 124.58(15) . . . yes
C23 C24 C25 108.51(18) . . . no
C23 C24 C29 126.58(19) . . . no
C25 C24 C29 124.83(19) . . . no
Cr3 C25 C21 71.15(11) . . . yes
Cr3 C25 C24 70.91(11) . . . yes
Cr3 C25 C30 127.73(15) . . . yes
C21 C25 C24 107.83(17) . . . no
C21 C25 C30 125.1(2) . . . no
C24 C25 C30 126.8(2) . . . no
C1 C6 H6A 110.00 . . . no
C1 C6 H6B 110.00 . . . no
C1 C6 H6C 110.00 . . . no
H6A C6 H6B 109.00 . . . no
H6A C6 H6C 109.00 . . . no
H6B C6 H6C 109.00 . . . no
C2 C7 H7A 110.00 . . . no
C2 C7 H7B 109.00 . . . no
C2 C7 H7C 109.00 . . . no
H7A C7 H7B 109.00 . . . no
H7A C7 H7C 110.00 . . . no
H7B C7 H7C 109.00 . . . no
C3 C8 H8A 109.00 . . . no
C3 C8 H8B 109.00 . . . no
C3 C8 H8C 109.00 . . . no
H8A C8 H8B 109.00 . . . no
H8A C8 H8C 110.00 . . . no
H8B C8 H8C 110.00 . . . no
C4 C9 H9A 109.00 . . . no
C4 C9 H9B 110.00 . . . no
C4 C9 H9C 109.00 . . . no
H9A C9 H9B 109.00 . . . no
H9A C9 H9C 109.00 . . . no
H9B C9 H9C 109.00 . . . no
C5 C10 H10A 109.00 . . . no
C5 C10 H10B 109.00 . . . no
C5 C10 H10C 109.00 . . . no
H10A C10 H10B 109.00 . . . no
H10A C10 H10C 109.00 . . . no
H10B C10 H10C 109.00 . . . no
C11 C16 H16A 109.00 . . . no
C11 C16 H16B 109.00 . . . no
C11 C16 H16C 109.00 . . . no
H16A C16 H16B 109.00 . . . no
H16A C16 H16C 110.00 . . . no
H16B C16 H16C 109.00 . . . no
C12 C17 H17A 109.00 . . . no
C12 C17 H17B 109.00 . . . no
C12 C17 H17C 109.00 . . . no
H17A C17 H17B 109.00 . . . no
H17A C17 H17C 110.00 . . . no
H17B C17 H17C 110.00 . . . no
C13 C18 H18A 109.00 . . . no
C13 C18 H18B 109.00 . . . no
C13 C18 H18C 109.00 . . . no
H18A C18 H18B 110.00 . . . no
H18A C18 H18C 109.00 . . . no
H18B C18 H18C 109.00 . . . no
C14 C19 H19A 109.00 . . . no
C14 C19 H19B 109.00 . . . no
C14 C19 H19C 109.00 . . . no
H19A C19 H19B 109.00 . . . no
H19A C19 H19C 109.00 . . . no
H19B C19 H19C 109.00 . . . no
C15 C20 H20A 110.00 . . . no
C15 C20 H20B 109.00 . . . no
C15 C20 H20C 109.00 . . . no
H20A C20 H20B 109.00 . . . no
H20A C20 H20C 109.00 . . . no
H20B C20 H20C 109.00 . . . no
C21 C26 H26A 110.00 . . . no
C21 C26 H26B 109.00 . . . no
C21 C26 H26C 109.00 . . . no
H26A C26 H26B 109.00 . . . no
H26A C26 H26C 109.00 . . . no
H26B C26 H26C 109.00 . . . no
C22 C27 H27A 110.00 . . . no
C22 C27 H27B 109.00 . . . no
C22 C27 H27C 109.00 . . . no
H27A C27 H27B 109.00 . . . no
H27A C27 H27C 109.00 . . . no
H27B C27 H27C 110.00 . . . no
C23 C28 H28A 109.00 . . . no
C23 C28 H28B 109.00 . . . no
C23 C28 H28C 110.00 . . . no
H28A C28 H28B 110.00 . . . no
H28A C28 H28C 109.00 . . . no
H28B C28 H28C 109.00 . . . no
C24 C29 H29A 109.00 . . . no
C24 C29 H29B 109.00 . . . no
C24 C29 H29C 109.00 . . . no
H29A C29 H29B 110.00 . . . no
H29A C29 H29C 109.00 . . . no
H29B C29 H29C 110.00 . . . no
C25 C30 H30A 109.00 . . . no
C25 C30 H30B 109.00 . . . no
C25 C30 H30C 110.00 . . . no
H30A C30 H30B 110.00 . . . no
H30A C30 H30C 109.00 . . . no
H30B C30 H30C 109.00 . . . no

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
Cr2 As1 Cr1 As2 -37.68(1) . . . . no
Cr3 As1 Cr1 As2 36.94(1) . . . . no
Cr2 As1 Cr1 C1 97.35(7) . . . . no
Cr3 As1 Cr1 C1 171.98(7) . . . . no
Cr2 As1 Cr1 C2 126.04(6) . . . . no
Cr3 As1 Cr1 C2 -159.33(6) . . . . no
Cr2 As1 Cr1 C3 163.90(6) . . . . no
Cr3 As1 Cr1 C3 -121.48(6) . . . . no
Cr2 As1 Cr1 C4 -172.66(9) . . . . no
Cr3 As1 Cr1 C4 -98.03(9) . . . . no
Cr3 As1 Cr2 C11 141.20(5) . . . . no
Cr1 As1 Cr2 C12 -177.78(6) . . . . no
Cr3 As1 Cr2 C12 106.75(6) . . . . no
Cr1 As1 Cr3 As2 -36.80(1) . . . . no
Cr2 As1 Cr3 As2 37.92(1) . . . . no
Cr1 As1 Cr3 C21 -169.80(8) . . . . no
Cr2 As1 Cr3 C21 -95.08(8) . . . . no
Cr1 As1 Cr3 C22 167.43(5) . . . . no
Cr2 As1 Cr3 C22 -117.85(5) . . . . no
Cr1 As1 Cr3 C23 129.38(5) . . . . no
Cr2 As1 Cr3 C23 -155.90(5) . . . . no
Cr1 As1 Cr3 C24 99.97(7) . . . . no
Cr1 As1 Cr2 As2 37.55(1) . . . . no
Cr3 As1 Cr2 As2 -37.93(1) . . . . no
Cr1 As1 Cr2 C11 -143.32(5) . . . . no
Cr1 As1 Cr2 C15 -107.97(6) . . . . no
Cr3 As1 Cr2 C15 176.55(6) . . . . no
Cr1 As1 Cr2 C14 -96.88(10) . . . . no
Cr1 As1 Cr2 C13 175.20(12) . . . . no
Cr3 As1 Cr2 C13 99.72(12) . . . . no
Cr3 As1 Cr2 C14 -172.36(10) . . . . no
Cr2 As1 Cr3 C24 174.69(7) . . . . no
Cr2 As2 Cr1 C1 -104.69(6) . . . . no
Cr3 As2 Cr1 As1 -37.01(1) . . . . no
Cr1 As2 Cr2 As1 -37.60(1) . . . . no
Cr2 As2 Cr1 As1 37.70(1) . . . . no
Cr1 As2 Cr2 C12 -174.17(7) . . . . no
Cr3 As2 Cr2 C12 -98.57(7) . . . . no
Cr3 As2 Cr2 As1 38.01(1) . . . . no
Cr3 As2 Cr2 C13 -124.50(5) . . . . no
Cr1 As2 Cr2 C14 121.84(5) . . . . no
Cr3 As2 Cr2 C14 -162.56(5) . . . . no
Cr1 As2 Cr2 C15 97.30(7) . . . . no
Cr3 As2 Cr2 C15 172.91(7) . . . . no
Cr3 As2 Cr1 C1 -179.39(6) . . . . no
Cr2 As2 Cr1 C2 -103.94(13) . . . . no
Cr3 As2 Cr1 C2 -178.64(13) . . . . no
Cr2 As2 Cr1 C3 176.61(10) . . . . no
Cr3 As2 Cr1 C3 101.91(10) . . . . no
Cr2 As2 Cr1 C4 -172.60(6) . . . . no
Cr3 As2 Cr1 C4 112.70(6) . . . . no
Cr2 As2 Cr1 C5 -137.36(6) . . . . no
Cr3 As2 Cr1 C5 147.94(6) . . . . no
Cr1 As2 Cr2 C13 159.89(5) . . . . no
Cr1 As2 Cr3 As1 36.84(1) . . . . no
Cr2 As2 Cr3 As1 -37.92(1) . . . . no
Cr1 As2 Cr3 C21 -173.54(6) . . . . no
Cr2 As2 Cr3 C21 111.71(6) . . . . no
Cr1 As2 Cr3 C22 172.65(9) . . . . no
Cr2 As2 Cr3 C22 97.90(9) . . . . no
Cr1 As2 Cr3 C23 -107.80(13) . . . . no
Cr2 As2 Cr3 C23 177.44(13) . . . . no
Cr1 As2 Cr3 C24 -105.28(6) . . . . no
Cr2 As2 Cr3 C24 179.97(6) . . . . no
Cr1 As2 Cr3 C25 -137.44(6) . . . . no
Cr2 As2 Cr3 C25 147.80(6) . . . . no
As1 Cr1 C1 C2 51.18(14) . . . . no
As2 Cr1 C1 C2 179.45(10) . . . . no
C3 Cr1 C1 C2 -37.28(12) . . . . no
C4 Cr1 C1 C2 -79.73(13) . . . . no
C5 Cr1 C1 C2 -117.10(18) . . . . no
As1 Cr1 C1 C5 168.28(10) . . . . no
As2 Cr1 C1 C5 -63.45(13) . . . . no
C2 Cr1 C1 C5 117.10(18) . . . . no
C3 Cr1 C1 C5 79.82(13) . . . . no
C4 Cr1 C1 C5 37.37(12) . . . . no
As1 Cr1 C1 C6 -70.7(3) . . . . no
As2 Cr1 C1 C6 57.6(3) . . . . no
C2 Cr1 C1 C6 -121.9(3) . . . . no
C3 Cr1 C1 C6 -159.2(3) . . . . no
C4 Cr1 C1 C6 158.4(3) . . . . no
C5 Cr1 C1 C6 121.0(3) . . . . no
C5 Cr1 C2 C7 159.8(3) . . . . no
As1 Cr1 C4 C3 -39.19(16) . . . . no
As2 Cr1 C4 C3 -170.42(11) . . . . no
C1 Cr1 C4 C3 79.62(14) . . . . no
C2 Cr1 C4 C3 37.38(13) . . . . no
C5 Cr1 C4 C3 116.93(18) . . . . no
As1 Cr1 C4 C5 -156.12(10) . . . . no
As2 Cr1 C4 C5 72.66(13) . . . . no
C1 Cr1 C4 C5 -37.31(13) . . . . no
C2 Cr1 C4 C5 -79.55(14) . . . . no
C3 Cr1 C4 C5 -116.93(18) . . . . no
As1 Cr1 C4 C9 83.6(3) . . . . no
As2 Cr1 C4 C9 -47.6(3) . . . . no
C1 Cr1 C4 C9 -157.6(3) . . . . no
C2 Cr1 C4 C9 160.2(3) . . . . no
C3 Cr1 C4 C9 122.8(3) . . . . no
As1 Cr1 C2 C1 -142.05(11) . . . . no
As2 Cr1 C2 C1 -1.1(2) . . . . no
C3 Cr1 C2 C1 117.16(18) . . . . no
C4 Cr1 C2 C1 79.43(14) . . . . no
C5 Cr1 C2 C1 37.31(12) . . . . no
As1 Cr1 C2 C3 100.80(12) . . . . no
As2 Cr1 C2 C3 -118.27(14) . . . . no
C1 Cr1 C2 C3 -117.16(18) . . . . no
C4 Cr1 C2 C3 -37.73(12) . . . . no
C5 Cr1 C2 C3 -79.84(13) . . . . no
As1 Cr1 C2 C7 -19.5(3) . . . . no
As2 Cr1 C2 C7 121.4(3) . . . . no
C1 Cr1 C2 C7 122.5(3) . . . . no
C3 Cr1 C2 C7 -120.3(3) . . . . no
C4 Cr1 C2 C7 -158.1(3) . . . . no
C1 Cr1 C5 C4 117.17(18) . . . . no
C3 Cr1 C5 C4 37.67(13) . . . . no
As2 Cr1 C5 C10 6.4(2) . . . . no
C1 Cr1 C5 C10 -120.1(3) . . . . no
C2 Cr1 C5 C10 -157.6(2) . . . . no
C3 Cr1 C5 C10 160.4(2) . . . . no
C4 Cr1 C5 C10 122.7(3) . . . . no
C2 Cr1 C3 C8 121.6(3) . . . . no
C4 Cr1 C3 C8 -121.6(3) . . . . no
As1 Cr1 C3 C2 -89.11(12) . . . . no
As2 Cr1 C3 C2 133.68(13) . . . . no
C1 Cr1 C3 C2 37.45(13) . . . . no
C4 Cr1 C3 C2 116.87(18) . . . . no
C5 Cr1 C3 C2 79.47(14) . . . . no
As1 Cr1 C3 C4 154.02(11) . . . . no
As2 Cr1 C3 C4 16.81(18) . . . . no
C1 Cr1 C3 C4 -79.42(14) . . . . no
C2 Cr1 C3 C4 -116.87(18) . . . . no
C5 Cr1 C3 C4 -37.40(13) . . . . no
As1 Cr1 C3 C8 32.4(3) . . . . no
As2 Cr1 C3 C8 -104.8(2) . . . . no
C1 Cr1 C3 C8 159.0(3) . . . . no
C4 Cr1 C5 C1 -117.17(18) . . . . no
As2 Cr1 C5 C4 -116.32(12) . . . . no
C5 Cr1 C3 C8 -159.0(3) . . . . no
C2 Cr1 C5 C4 79.69(14) . . . . no
As2 Cr1 C5 C1 126.51(11) . . . . no
C2 Cr1 C5 C1 -37.48(12) . . . . no
C3 Cr1 C5 C1 -79.50(14) . . . . no
C5 Cr1 C4 C9 -120.2(3) . . . . no
As2 Cr2 C13 C18 25.99(18) . . . . no
C11 Cr2 C14 C19 160.1(2) . . . . no
As1 Cr2 C14 C15 -16.72(17) . . . . no
C11 Cr2 C13 C18 -158.7(2) . . . . no
C12 Cr2 C14 C19 -157.8(2) . . . . no
As1 Cr2 C12 C11 67.79(12) . . . . no
As2 Cr2 C12 C11 -162.04(9) . . . . no
C13 Cr2 C12 C11 -117.25(17) . . . . no
C14 Cr2 C12 C11 -79.83(12) . . . . no
C15 Cr2 C12 C11 -37.31(11) . . . . no
As1 Cr2 C12 C13 -174.96(9) . . . . no
As2 Cr2 C12 C13 -44.79(13) . . . . no
C11 Cr2 C12 C13 117.25(17) . . . . no
C14 Cr2 C12 C13 37.41(11) . . . . no
C15 Cr2 C12 C13 79.94(12) . . . . no
As1 Cr2 C12 C17 -53.24(19) . . . . no
As2 Cr2 C12 C17 76.93(19) . . . . no
C11 Cr2 C12 C17 -121.0(2) . . . . no
As1 Cr2 C13 C14 127.46(12) . . . . no
As1 Cr2 C15 C14 171.26(9) . . . . no
As2 Cr2 C15 C14 41.85(14) . . . . no
C11 Cr2 C15 C14 -117.42(16) . . . . no
C12 Cr2 C15 C14 -80.07(12) . . . . no
C13 Cr2 C15 C14 -37.49(11) . . . . no
As1 Cr2 C15 C20 48.70(19) . . . . no
As2 Cr2 C15 C20 -80.71(19) . . . . no
C11 Cr2 C15 C20 120.0(2) . . . . no
As2 Cr2 C14 C15 -150.24(10) . . . . no
C11 Cr2 C14 C15 37.20(11) . . . . no
C12 Cr2 C14 C15 79.34(12) . . . . no
C13 Cr2 C14 C15 117.02(16) . . . . no
As1 Cr2 C14 C19 106.17(18) . . . . no
As2 Cr2 C14 C19 -27.35(18) . . . . no
C11 Cr2 C13 C12 -37.30(11) . . . . no
C14 Cr2 C13 C12 -117.13(16) . . . . no
As2 Cr2 C13 C14 -95.52(10) . . . . no
C11 Cr2 C13 C14 79.83(12) . . . . no
C12 Cr2 C13 C14 117.13(16) . . . . no
C15 Cr2 C13 C14 37.71(11) . . . . no
As1 Cr2 C13 C18 -111.03(18) . . . . no
As1 Cr2 C11 C12 -123.28(11) . . . . no
C13 Cr2 C11 C12 37.64(11) . . . . no
C14 Cr2 C11 C12 79.86(12) . . . . no
C15 Cr2 C11 C12 117.39(17) . . . . no
As1 Cr2 C11 C15 119.34(11) . . . . no
C12 Cr2 C11 C15 -117.39(17) . . . . no
C13 Cr2 C11 C15 -79.75(12) . . . . no
C14 Cr2 C11 C15 -37.53(11) . . . . no
As1 Cr2 C11 C16 -2.21(18) . . . . no
C12 Cr2 C11 C16 121.1(2) . . . . no
C13 Cr2 C11 C16 158.7(2) . . . . no
C14 Cr2 C11 C16 -159.1(2) . . . . no
C15 Cr2 C11 C16 -121.6(2) . . . . no
C15 Cr2 C12 C17 -158.3(2) . . . . no
As1 Cr2 C14 C13 -133.74(11) . . . . no
As2 Cr2 C14 C13 92.74(11) . . . . no
C11 Cr2 C14 C13 -79.82(12) . . . . no
C12 Cr2 C14 C13 -37.68(11) . . . . no
C15 Cr2 C14 C13 -117.02(16) . . . . no
C15 Cr2 C13 C12 -79.42(12) . . . . no
C12 Cr2 C15 C20 157.4(2) . . . . no
C13 Cr2 C15 C20 -160.1(2) . . . . no
As1 Cr2 C13 C12 10.33(19) . . . . no
As2 Cr2 C13 C12 147.35(10) . . . . no
As2 Cr2 C15 C11 159.27(9) . . . . no
C12 Cr2 C15 C11 37.35(11) . . . . no
C15 Cr2 C14 C19 122.9(2) . . . . no
C13 Cr2 C12 C17 121.7(2) . . . . no
C13 Cr2 C14 C19 -120.1(2) . . . . no
C14 Cr2 C15 C20 -122.6(2) . . . . no
C15 Cr2 C13 C18 159.2(2) . . . . no
As1 Cr2 C15 C11 -71.32(12) . . . . no
C12 Cr2 C13 C18 -121.4(2) . . . . no
C14 Cr2 C13 C18 121.5(2) . . . . no
C13 Cr2 C15 C11 79.93(12) . . . . no
C14 Cr2 C15 C11 117.42(16) . . . . no
C14 Cr2 C12 C17 159.1(2) . . . . no
C22 Cr3 C24 C29 -159.9(2) . . . . no
C21 Cr3 C22 C27 -122.2(2) . . . . no
As1 Cr3 C22 C27 33.24(17) . . . . no
As2 Cr3 C22 C27 -100.49(16) . . . . no
C23 Cr3 C22 C27 120.6(2) . . . . no
C21 Cr3 C22 C23 117.14(16) . . . . no
As2 Cr3 C22 C23 138.88(10) . . . . no
C25 Cr3 C22 C23 79.73(12) . . . . no
C23 Cr3 C25 C30 -159.8(3) . . . . no
As1 Cr3 C23 C22 102.48(10) . . . . no
As2 Cr3 C23 C22 -113.44(14) . . . . no
C21 Cr3 C23 C22 -37.59(10) . . . . no
C24 Cr3 C23 C22 -117.09(16) . . . . no
C25 Cr3 C23 C22 -79.72(12) . . . . no
C23 Cr3 C24 C29 -122.4(2) . . . . no
C25 Cr3 C24 C29 120.4(2) . . . . no
As1 Cr3 C22 C21 155.47(10) . . . . no
As1 Cr3 C22 C23 -87.39(10) . . . . no
C23 Cr3 C22 C21 -117.14(16) . . . . no
C24 Cr3 C22 C21 -79.60(12) . . . . no
C25 Cr3 C22 C21 -37.41(12) . . . . no
C22 Cr3 C23 C28 -120.4(2) . . . . no
As2 Cr3 C24 C25 -61.10(13) . . . . no
C25 Cr3 C23 C28 159.9(2) . . . . no
C22 Cr3 C21 C25 -117.04(16) . . . . no
C23 Cr3 C21 C25 -79.62(12) . . . . no
C24 Cr3 C21 C25 -37.31(11) . . . . no
As1 Cr3 C21 C26 84.29(18) . . . . no
As2 Cr3 C21 C26 -45.25(17) . . . . no
C24 Cr3 C22 C27 158.17(18) . . . . no
C25 Cr3 C22 C27 -159.64(19) . . . . no
C22 Cr3 C25 C24 -79.74(12) . . . . no
C25 Cr3 C21 C26 -121.0(2) . . . . no
As1 Cr3 C24 C23 52.65(13) . . . . no
As2 Cr3 C24 C23 -178.31(9) . . . . no
C21 Cr3 C24 C23 -79.94(12) . . . . no
C22 Cr3 C24 C23 -37.48(11) . . . . no
C24 Cr3 C23 C28 122.5(2) . . . . no
As1 Cr3 C24 C25 169.87(10) . . . . no
As1 Cr3 C21 C25 -154.69(9) . . . . no
C24 Cr3 C22 C23 37.54(11) . . . . no
C21 Cr3 C24 C25 37.28(12) . . . . no
C22 Cr3 C24 C25 79.74(13) . . . . no
C23 Cr3 C24 C25 117.22(17) . . . . no
As1 Cr3 C24 C29 -69.77(19) . . . . no
As2 Cr3 C24 C29 59.26(19) . . . . no
C21 Cr3 C24 C29 157.6(2) . . . . no
As2 Cr3 C23 C24 3.7(2) . . . . no
As2 Cr3 C22 C21 21.74(15) . . . . no
As1 Cr3 C21 C22 -37.65(14) . . . . no
As2 Cr3 C21 C22 -167.18(9) . . . . no
C23 Cr3 C21 C22 37.42(11) . . . . no
C24 Cr3 C21 C22 79.73(12) . . . . no
C25 Cr3 C21 C22 117.04(16) . . . . no
C24 Cr3 C25 C30 -122.3(3) . . . . no
As2 Cr3 C23 C28 126.19(17) . . . . no
As2 Cr3 C21 C25 75.78(11) . . . . no
As2 Cr3 C25 C21 -113.14(10) . . . . no
C22 Cr3 C25 C21 37.67(11) . . . . no
C23 Cr3 C25 C21 79.93(12) . . . . no
C24 Cr3 C25 C21 117.42(17) . . . . no
As2 Cr3 C25 C24 129.45(11) . . . . no
C21 Cr3 C25 C24 -117.42(17) . . . . no
C24 Cr3 C21 C26 -158.34(19) . . . . no
C23 Cr3 C21 C26 159.35(19) . . . . no
C23 Cr3 C25 C24 -37.49(12) . . . . no
As2 Cr3 C25 C30 7.2(2) . . . . no
C21 Cr3 C25 C30 120.3(3) . . . . no
C25 Cr3 C24 C23 -117.22(17) . . . . no
As1 Cr3 C23 C28 -17.90(19) . . . . no
C22 Cr3 C25 C30 158.0(2) . . . . no
C22 Cr3 C21 C26 121.9(2) . . . . no
C21 Cr3 C23 C28 -158.0(2) . . . . no
C25 Cr3 C23 C24 37.37(12) . . . . no
C21 Cr3 C23 C24 79.50(12) . . . . no
C22 Cr3 C23 C24 117.09(16) . . . . no
As1 Cr3 C23 C24 -140.43(10) . . . . no
Cr1 C1 C5 C10 122.3(2) . . . . no
C2 C1 C5 C10 -174.6(2) . . . . no
C2 C1 C5 C4 0.9(2) . . . . no
C6 C1 C2 C7 1.2(4) . . . . no
C5 C1 C2 C3 -1.0(2) . . . . no
C5 C1 C2 C7 176.1(3) . . . . no
C6 C1 C2 Cr1 122.0(2) . . . . no
C6 C1 C5 C10 0.3(4) . . . . no
C5 C1 C2 Cr1 -63.14(15) . . . . no
Cr1 C1 C2 C7 -120.8(3) . . . . no
C6 C1 C5 Cr1 -122.0(2) . . . . no
Cr1 C1 C5 C4 -62.24(15) . . . . no
C2 C1 C5 Cr1 63.11(15) . . . . no
C6 C1 C2 C3 -175.8(2) . . . . no
C6 C1 C5 C4 175.8(2) . . . . no
Cr1 C1 C2 C3 62.18(15) . . . . no
C1 C2 C3 C8 178.3(2) . . . . no
C1 C2 C3 C4 0.7(2) . . . . no
Cr1 C2 C3 C4 62.81(15) . . . . no
Cr1 C2 C3 C8 -119.6(2) . . . . no
C7 C2 C3 Cr1 120.8(3) . . . . no
C7 C2 C3 C4 -176.4(2) . . . . no
C1 C2 C3 Cr1 -62.13(15) . . . . no
C7 C2 C3 C8 1.2(4) . . . . no
Cr1 C3 C4 C5 63.01(15) . . . . no
C2 C3 C4 C5 -0.2(2) . . . . no
C2 C3 C4 C9 176.6(2) . . . . no
Cr1 C3 C4 C9 -120.2(2) . . . . no
C8 C3 C4 Cr1 119.3(2) . . . . no
C8 C3 C4 C9 -1.0(4) . . . . no
C2 C3 C4 Cr1 -63.16(15) . . . . no
C8 C3 C4 C5 -177.7(2) . . . . no
Cr1 C4 C5 C10 -122.4(2) . . . . no
C3 C4 C5 C1 -0.4(2) . . . . no
C9 C4 C5 Cr1 120.5(2) . . . . no
C9 C4 C5 C1 -177.3(2) . . . . no
C3 C4 C5 C10 174.9(2) . . . . no
Cr1 C4 C5 C1 62.24(15) . . . . no
C3 C4 C5 Cr1 -62.69(15) . . . . no
C9 C4 C5 C10 -2.0(4) . . . . no
C16 C11 C15 Cr2 121.6(2) . . . . no
Cr2 C11 C12 C17 121.9(2) . . . . no
Cr2 C11 C12 C13 -62.54(13) . . . . no
C15 C11 C12 C13 -0.6(2) . . . . no
C16 C11 C15 C14 -176.05(19) . . . . no
C15 C11 C12 Cr2 61.96(14) . . . . no
C16 C11 C12 C13 176.02(19) . . . . no
C16 C11 C12 C17 0.4(3) . . . . no
C16 C11 C12 Cr2 -121.4(2) . . . . no
C12 C11 C15 Cr2 -61.80(14) . . . . no
C16 C11 C15 C20 0.1(3) . . . . no
Cr2 C11 C15 C14 62.35(14) . . . . no
Cr2 C11 C15 C20 -121.5(2) . . . . no
C12 C11 C15 C14 0.6(2) . . . . no
C12 C11 C15 C20 176.68(19) . . . . no
C15 C11 C12 C17 -176.18(19) . . . . no
C17 C12 C13 C14 175.95(19) . . . . no
C17 C12 C13 C18 -2.3(3) . . . . no
Cr2 C12 C13 C14 -62.52(13) . . . . no
C17 C12 C13 Cr2 -121.5(2) . . . . no
C11 C12 C13 Cr2 62.92(14) . . . . no
Cr2 C12 C13 C18 119.3(2) . . . . no
C11 C12 C13 C18 -177.83(19) . . . . no
C11 C12 C13 C14 0.4(2) . . . . no
C18 C13 C14 C19 0.6(3) . . . . no
Cr2 C13 C14 C15 -62.32(13) . . . . no
Cr2 C13 C14 C19 120.1(2) . . . . no
C18 C13 C14 Cr2 -119.5(2) . . . . no
C18 C13 C14 C15 178.17(19) . . . . no
C12 C13 C14 C19 -177.61(19) . . . . no
C12 C13 C14 C15 -0.1(2) . . . . no
C12 C13 C14 Cr2 62.26(13) . . . . no
C13 C14 C15 C20 -176.3(2) . . . . no
Cr2 C14 C15 C11 -62.62(14) . . . . no
C19 C14 C15 C11 177.17(19) . . . . no
C19 C14 C15 C20 1.2(3) . . . . no
C19 C14 C15 Cr2 -120.2(2) . . . . no
C13 C14 C15 Cr2 62.32(13) . . . . no
C13 C14 C15 C11 -0.3(2) . . . . no
Cr2 C14 C15 C20 121.4(2) . . . . no
C26 C21 C22 C23 178.30(19) . . . . no
Cr3 C21 C22 C23 -62.49(13) . . . . no
Cr3 C21 C25 C24 61.79(14) . . . . no
C26 C21 C22 C27 1.3(3) . . . . no
C25 C21 C22 Cr3 62.91(13) . . . . no
C25 C21 C22 C23 0.4(2) . . . . no
C25 C21 C22 C27 -176.62(18) . . . . no
C26 C21 C22 Cr3 -119.22(19) . . . . no
C26 C21 C25 Cr3 119.37(19) . . . . no
C26 C21 C25 C24 -178.84(19) . . . . no
C26 C21 C25 C30 -4.0(3) . . . . no
Cr3 C21 C25 C30 -123.4(2) . . . . no
C22 C21 C25 Cr3 -62.73(13) . . . . no
C22 C21 C25 C24 -0.9(2) . . . . no
C22 C21 C25 C30 173.88(19) . . . . no
Cr3 C21 C22 C27 120.47(19) . . . . no
C27 C22 C23 C28 -0.1(3) . . . . no
C27 C22 C23 Cr3 -120.64(19) . . . . no
C27 C22 C23 C24 177.36(18) . . . . no
Cr3 C22 C23 C24 -62.00(13) . . . . no
Cr3 C22 C23 C28 120.5(2) . . . . no
C21 C22 C23 Cr3 62.26(13) . . . . no
C21 C22 C23 C24 0.3(2) . . . . no
C21 C22 C23 C28 -177.24(18) . . . . no
Cr3 C23 C24 C25 -63.13(14) . . . . no
C28 C23 C24 C25 176.59(19) . . . . no
C28 C23 C24 C29 -0.2(3) . . . . no
Cr3 C23 C24 C29 120.1(2) . . . . no
C22 C23 C24 Cr3 62.28(13) . . . . no
C22 C23 C24 C25 -0.8(2) . . . . no
C22 C23 C24 C29 -177.7(2) . . . . no
C28 C23 C24 Cr3 -120.3(2) . . . . no
C29 C24 C25 C21 178.0(2) . . . . no
C29 C24 C25 C30 3.3(3) . . . . no
Cr3 C24 C25 C21 -61.94(13) . . . . no
Cr3 C24 C25 C30 123.4(2) . . . . no
C23 C24 C25 Cr3 63.05(14) . . . . no
C23 C24 C25 C21 1.1(2) . . . . no
C23 C24 C25 C30 -173.6(2) . . . . no
C29 C24 C25 Cr3 -120.1(2) . . . . no

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
As1 As2 3.6607(3) . . no
As1 C2 3.647(2) . . no
As1 C3 3.736(2) . . no
As1 C11 3.557(2) . . no
As1 C16 3.705(2) . . no
As1 C23 3.635(2) . . no
As2 As1 3.6607(3) . . no
As2 C5 3.498(2) . . no
As2 C10 3.647(3) . . no
As2 C13 3.6132(19) . . no
As2 C14 3.6400(19) . . no
As2 C25 3.518(2) . . no
As2 C30 3.695(2) . . no
C1 C3 2.281(3) . . no
C1 C4 2.279(3) . . no
C1 C7 2.605(4) . . no
C1 C10 2.580(4) . . no
C2 C5 2.290(3) . . no
C2 As1 3.647(2) . . no
C2 C4 2.288(3) . . no
C2 C6 2.599(4) . . no
C2 C8 2.589(4) . . no
C3 C1 2.281(3) . . no
C3 As1 3.736(2) . . no
C3 C9 2.609(4) . . no
C3 C5 2.289(3) . . no
C3 C7 2.579(4) . . no
C4 C10 2.607(4) . . no
C4 C1 2.279(3) . . no
C4 C2 2.288(3) . . no
C4 C8 2.601(4) . . no
C5 C16 3.588(3) . 4_645 no
C5 C3 2.289(3) . . no
C5 As2 3.498(2) . . no
C5 C2 2.290(3) . . no
C5 C6 2.585(4) . . no
C5 C9 2.575(4) . . no
C11 As1 3.557(2) . . no
C11 C14 2.312(3) . . no
C11 C17 2.594(3) . . no
C11 C13 2.310(3) . . no
C11 C20 2.585(3) . . no
C12 C18 2.605(3) . . no
C12 C16 2.599(3) . . no
C12 C14 2.305(3) . . no
C12 C15 2.296(3) . . no
C13 C19 2.590(3) . . no
C13 C11 2.310(3) . . no
C13 C15 2.304(3) . . no
C13 As2 3.6132(19) . . no
C13 C17 2.612(3) . . no
C14 As2 3.6400(19) . . no
C14 C11 2.312(3) . . no
C14 C12 2.305(3) . . no
C14 C18 2.598(3) . . no
C14 C20 2.621(3) . . no
C15 C19 2.624(3) . . no
C15 C16 2.603(3) . . no
C15 C12 2.296(3) . . no
C15 C13 2.304(3) . . no
C16 C5 3.588(3) . 4_655 no
C21 C23 2.307(3) . . no
C21 C27 2.614(3) . . no
C21 C30 2.592(3) . . no
C21 C24 2.295(3) . . no
C22 C25 2.306(3) . . no
C22 C28 2.593(3) . . no
C22 C26 2.613(3) . . no
C22 C24 2.299(3) . . no
C23 C21 2.307(3) . . no
C23 As1 3.635(2) . . no
C23 C29 2.616(3) . . no
C23 C25 2.307(3) . . no
C23 C27 2.593(3) . . no
C24 C28 2.614(3) . . no
C24 C22 2.299(3) . . no
C24 C21 2.295(3) . . no
C24 C30 2.611(3) . . no
C25 As2 3.518(2) . . no
C25 C22 2.306(3) . . no
C25 C29 2.592(3) . . no
C25 C23 2.307(3) . . no
C25 C26 2.596(4) . . no
C1 H16A 2.8500 . 4_645 no
C4 H16A 2.9200 . 4_645 no
C5 H16A 2.6300 . 4_645 no
C6 H7B 2.8700 . . no
C6 H10A 2.9000 . . no
C7 H8C 2.8800 . . no
C7 H6B 2.8600 . . no
C8 H20A 3.0800 . 4_645 no
C8 H9B 2.8300 . . no
C8 H7A 2.8800 . . no
C9 H10B 2.8200 . . no
C9 H29B 3.0400 . . no
C9 H9A 3.0800 . 5_655 no
C9 H8B 2.8800 . . no
C10 H9A 2.9900 . . no
C10 H26A 3.0300 . 3_555 no
C10 H6C 2.8900 . . no
C12 H7C 2.9800 . 4_655 no
C13 H7C 3.0500 . 4_655 no
C15 H8A 2.9800 . 4_655 no
C16 H17A 2.9500 . . no
C16 H20C 3.0800 . . no
C16 H19C 3.0600 . 6_455 no
C17 H16C 2.8500 . . no
C17 H18B 2.8800 . . no
C18 H19A 2.9700 . . no
C18 H17B 2.8300 . . no
C18 H29C 3.0700 . 3_555 no
C19 H18C 2.8600 . . no
C19 H20B 2.8300 . . no
C20 H6B 3.0700 . . no
C20 H16B 2.8700 . . no
C20 H19B 2.8600 . . no
C20 H8A 2.9500 . 4_655 no
C26 H27A 2.8200 . . no
C26 H30C 2.8600 . . no
C26 H18A 2.9800 . 5_665 no
C27 H26C 2.8400 . . no
C27 H28B 2.8300 . . no
C28 H27B 2.9700 . . no
C28 H29A 2.8700 . . no
C29 H28C 2.9300 . . no
C29 H30B 2.8500 . . no
C29 H18C 3.0300 . 3_455 no
C30 H26B 2.9600 . . no
C30 H29B 2.9600 . . no
H6A H8C 2.3600 . 6_555 no
H6B C7 2.8600 . . no
H6B C20 3.0700 . . no
H6B H7B 2.2700 . . no
H6B H20B 2.5600 . . no
H6B H28B 2.5500 . 6_555 no
H6C C10 2.8900 . . no
H6C H10A 2.3800 . . no
H7A C8 2.8800 . . no
H7A H8C 2.3400 . . no
H7B C6 2.8700 . . no
H7B H6B 2.2700 . . no
H7C C12 2.9800 . 4_645 no
H7C C13 3.0500 . 4_645 no
H8A C15 2.9800 . 4_645 no
H8A C20 2.9500 . 4_645 no
H8A H20A 2.4600 . 4_645 no
H8B C9 2.8800 . . no
H8B H9B 2.2500 . . no
H8B H17A 2.5600 . 7_545 no
H8C C7 2.8800 . . no
H8C H7A 2.3400 . . no
H8C H6A 2.3600 . 6_455 no
H9A C10 2.9900 . . no
H9A H10B 2.3900 . . no
H9A C9 3.0800 . 5_655 no
H9A H9A 2.4800 . 5_655 no
H9B C8 2.8300 . . no
H9B H8B 2.2500 . . no
H9B H29B 2.6000 . . no
H9C H30B 2.4100 . 5_655 no
H10A C6 2.9000 . . no
H10A H6C 2.3800 . . no
H10A H26A 2.5000 . 3_555 no
H10B C9 2.8200 . . no
H10B H9A 2.3900 . . no
H16A C1 2.8500 . 4_655 no
H16A C4 2.9200 . 4_655 no
H16A C5 2.6300 . 4_655 no
H16B C20 2.8700 . . no
H16B H20C 2.5200 . . no
H16B H30A 2.5700 . 8_555 no
H16C C17 2.8500 . . no
H16C H17A 2.3700 . . no
H17A C16 2.9500 . . no
H17A H16C 2.3700 . . no
H17A H8B 2.5600 . 7_555 no
H17B C18 2.8300 . . no
H17B H18B 2.2600 . . no
H17B H26C 2.5900 . . no
H17C H28C 2.4100 . 7_555 no
H18A C26 2.9800 . 5_665 no
H18A H26C 2.5900 . 5_665 no
H18B C17 2.8800 . . no
H18B H17B 2.2600 . . no
H18C C19 2.8600 . . no
H18C H19A 2.4100 . . no
H18C C29 3.0300 . 3_555 no
H18C H29C 2.4600 . 3_555 no
H19A C18 2.9700 . . no
H19A H18C 2.4100 . . no
H19B C20 2.8600 . . no
H19B H20B 2.2200 . . no
H19C C16 3.0600 . 6_555 no
H20A C8 3.0800 . 4_655 no
H20A H8A 2.4600 . 4_655 no
H20B C19 2.8300 . . no
H20B H6B 2.5600 . . no
H20B H19B 2.2200 . . no
H20C C16 3.0800 . . no
H20C H16B 2.5200 . . no
H26A C10 3.0300 . 3_455 no
H26A H10A 2.5000 . 3_455 no
H26B C30 2.9600 . . no
H26B H30C 2.4000 . . no
H26C C27 2.8400 . . no
H26C H17B 2.5900 . . no
H26C H27A 2.2100 . . no
H26C H18A 2.5900 . 5_665 no
H27A C26 2.8200 . . no
H27A H26C 2.2100 . . no
H27B C28 2.9700 . . no
H27B H28B 2.3900 . . no
H28B C27 2.8300 . . no
H28B H27B 2.3900 . . no
H28B H6B 2.5500 . 6_455 no
H28C C29 2.9300 . . no
H28C H29A 2.3200 . . no
H28C H17C 2.4100 . 7_545 no
H29A C28 2.8700 . . no
H29A H28C 2.3200 . . no
H29B C9 3.0400 . . no
H29B C30 2.9600 . . no
H29B H9B 2.6000 . . no
H29B H30B 2.3800 . . no
H29C C18 3.0700 . 3_455 no
H29C H18C 2.4600 . 3_455 no
H30A H16B 2.5700 . 8_554 no
H30B C29 2.8500 . . no
H30B H29B 2.3800 . . no
H30B H9C 2.4100 . 5_655 no
H30C C26 2.8600 . . no
H30C H26B 2.4000 . . no



#===END
_database_code_depnum_ccdc_archive 'CCDC 984792'
