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

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

data_ap_abs
_database_code_depnum_ccdc_archive 'CCDC 2247228'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2023-06-15 downloaded from the CCDC.
;
_audit_creation_date             2023-01-26
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2022.11.02 svn.ra8b101fa for OlexSys, GUI svn.r6635)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C60 H76 Cr2 N4 P2, C6 H14'
_chemical_formula_sum            'C66 H90 Cr2 N4 P2'
_chemical_formula_weight         1105.35
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8677(2)
_cell_length_b                   13.10453(19)
_cell_length_c                   18.2132(3)
_cell_angle_alpha                99.9375(13)
_cell_angle_beta                 90.7104(13)
_cell_angle_gamma                92.7071(12)
_cell_volume                     3021.09(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    26441
_cell_measurement_temperature    123.01(10)
_cell_measurement_theta_max      73.7605
_cell_measurement_theta_min      3.4283
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.776
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.2143
_exptl_crystal_size_mid          0.1185
_exptl_crystal_size_min          0.0946
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            43882
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.761
_diffrn_reflns_theta_min         3.428
_diffrn_ambient_temperature      123.01
_diffrn_detector_area_resol_mean 10.3546
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -70.00   33.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814   57.0000  -30.0000 206

#__ type_ start__ end____ width___ exp.time_
  2 omega  -71.00   37.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814   77.0000   60.0000 216

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   19.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814   57.0000 -150.0000 60

#__ type_ start__ end____ width___ exp.time_
  4 omega  -71.00  -44.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814   57.0000 -150.0000 54

#__ type_ start__ end____ width___ exp.time_
  5 omega    7.00  102.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0814   77.0000 -180.0000 190

#__ type_ start__ end____ width___ exp.time_
  6 omega    5.00   35.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -       41.0814 -125.0000  120.0000 60

#__ type_ start__ end____ width___ exp.time_
  7 omega   29.00   68.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000  120.0000 78

#__ type_ start__ end____ width___ exp.time_
  8 omega   33.00   59.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -45.0000   60.0000 52

#__ type_ start__ end____ width___ exp.time_
  9 omega   35.00  140.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -77.0000 -150.0000 210

#__ type_ start__ end____ width___ exp.time_
 10 omega   37.00   69.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000 -120.0000 64

#__ type_ start__ end____ width___ exp.time_
 11 omega   31.00   69.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000    0.0000 76

#__ type_ start__ end____ width___ exp.time_
 12 omega   84.00  117.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800 -125.0000   30.0000 66

#__ type_ start__ end____ width___ exp.time_
 13 omega   99.00  156.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   45.0000   30.0000 114

#__ type_ start__ end____ width___ exp.time_
 14 omega   62.00  150.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   15.0000  150.0000 176

#__ type_ start__ end____ width___ exp.time_
 15 omega   54.00  120.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800 -125.0000 -150.0000 132

#__ type_ start__ end____ width___ exp.time_
 16 omega   33.00  141.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -77.0000    0.0000 216

#__ type_ start__ end____ width___ exp.time_
 17 omega   30.00   56.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000  150.0000 52

#__ type_ start__ end____ width___ exp.time_
 18 omega   42.00   69.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000 -150.0000 54

#__ type_ start__ end____ width___ exp.time_
 19 omega   31.00   58.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -30.0000   90.0000 54

#__ type_ start__ end____ width___ exp.time_
 20 omega   80.00  134.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   45.0000    0.0000 108

#__ type_ start__ end____ width___ exp.time_
 21 omega   79.00  112.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   45.0000  -90.0000 66

#__ type_ start__ end____ width___ exp.time_
 22 omega -115.00  -11.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  -57.0000  -30.0000 208

#__ type_ start__ end____ width___ exp.time_
 23 omega -115.00  -11.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  -57.0000   60.0000 208

#__ type_ start__ end____ width___ exp.time_
 24 omega -117.00  -15.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  -37.0000   90.0000 204

#__ type_ start__ end____ width___ exp.time_
 25 omega -120.00   -7.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  -77.0000  -30.0000 226

#__ type_ start__ end____ width___ exp.time_
 26 omega  -98.00   -2.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  125.0000   90.0000 192

#__ type_ start__ end____ width___ exp.time_
 27 omega -120.00   -7.00   0.5000    1.5000
omega____ theta____ kappa____ phi______ frames
    -      -41.0814  -77.0000 -120.0000 226

#__ type_ start__ end____ width___ exp.time_
 28 omega -162.00 -132.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  -77.0000 -180.0000 60

#__ type_ start__ end____ width___ exp.time_
 29 omega -162.00  -49.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  -77.0000    0.0000 226

#__ type_ start__ end____ width___ exp.time_
 30 omega -162.00  -49.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      -83.0000  -77.0000   90.0000 226

#__ type_ start__ end____ width___ exp.time_
 31 omega   77.00  158.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   61.0000 -180.0000 162

#__ type_ start__ end____ width___ exp.time_
 32 omega   73.00  158.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   77.0000  120.0000 170

#__ type_ start__ end____ width___ exp.time_
 33 omega   79.00  158.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   45.0000 -120.0000 158

#__ type_ start__ end____ width___ exp.time_
 34 omega   23.00  109.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -94.0000  120.0000 172

#__ type_ start__ end____ width___ exp.time_
 35 omega   32.00   77.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800  -45.0000  -60.0000 90

#__ type_ start__ end____ width___ exp.time_
 36 omega   77.00   87.00   0.5000    6.0000
omega____ theta____ kappa____ phi______ frames
    -      106.9800   61.0000   60.0000 20
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11037
_reflns_number_total             11915
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         11915
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0313
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0429P)²+1.9196P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0874
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C30(H30), C33(H33), C55(H55), C58(H58)
2.b Secondary CH2 refined with riding coordinates:
 C101(H10G,H10H), C102(H10I,H10J), C103(H10K,H10L), C104(H10M,H10N)
2.c Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C14(H14), C18(H18), C19(H19), C20(H20), C26(H26),
 C27(H27), C28(H28), C37(H37), C38(H38), C39(H39), C43(H43), C44(H44), C45(H45),
  C51(H51), C52(H52), C53(H53)
2.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C8(H8A,H8B,H8C), C9(H9A,
 H9B,H9C), C10(H10A,H10B,H10C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C),
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A,H35B,
 H35C), C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C56(H56A,H56B,H56C), C57(H57A,
 H57B,H57C), C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C100(H10D,H10E,H10F),
 C105(H10O,H10P,H10Q)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.78244(2) 0.44592(2) 0.25311(2) 0.01259(6) Uani 1 1 d . . . . .
Cr2 Cr 0.78111(2) 0.58910(2) 0.25582(2) 0.01275(6) Uani 1 1 d . . . . .
P1 P 0.94165(3) 0.50023(3) 0.18266(2) 0.01869(9) Uani 1 1 d . . . . .
P2 P 0.94111(3) 0.55214(3) 0.33105(2) 0.01828(9) Uani 1 1 d . . . . .
N1 N 0.69189(10) 0.39705(10) 0.15752(7) 0.0140(2) Uani 1 1 d . . . . .
N2 N 0.66819(10) 0.57423(10) 0.17469(7) 0.0144(2) Uani 1 1 d . . . . .
N3 N 0.68947(10) 0.62735(10) 0.34842(7) 0.0136(2) Uani 1 1 d . . . . .
N4 N 0.67140(10) 0.44757(10) 0.33151(7) 0.0138(2) Uani 1 1 d . . . . .
C1 C 0.94328(12) 0.43420(12) 0.26196(9) 0.0185(3) Uani 1 1 d . . . . .
C2 C 0.99812(13) 0.33479(13) 0.27119(10) 0.0221(3) Uani 1 1 d . . . . .
C3 C 1.07334(15) 0.30755(16) 0.20649(11) 0.0329(4) Uani 1 1 d . . . . .
H3A H 1.034273 0.296357 0.159013 0.049 Uiso 1 1 calc R U . . .
H3B H 1.108126 0.244219 0.211836 0.049 Uiso 1 1 calc R U . . .
H3C H 1.125534 0.364717 0.207415 0.049 Uiso 1 1 calc R U . . .
C4 C 0.92126(15) 0.24264(14) 0.27183(11) 0.0278(4) Uani 1 1 d . . . . .
H4A H 0.870699 0.260640 0.311177 0.042 Uiso 1 1 calc R U . . .
H4B H 0.959023 0.182833 0.281279 0.042 Uiso 1 1 calc R U . . .
H4C H 0.884713 0.225258 0.223427 0.042 Uiso 1 1 calc R U . . .
C5 C 1.06226(14) 0.35492(15) 0.34414(11) 0.0279(4) Uani 1 1 d . . . . .
H5A H 1.114829 0.411081 0.342634 0.042 Uiso 1 1 calc R U . . .
H5B H 1.096753 0.291751 0.350319 0.042 Uiso 1 1 calc R U . . .
H5C H 1.016240 0.374788 0.386127 0.042 Uiso 1 1 calc R U . . .
C6 C 0.94226(12) 0.61829(13) 0.25193(9) 0.0189(3) Uani 1 1 d . . . . .
C7 C 0.99590(13) 0.72369(14) 0.24452(10) 0.0248(4) Uani 1 1 d . . . . .
C8 C 1.05832(16) 0.71112(15) 0.17239(12) 0.0348(4) Uani 1 1 d . . . . .
H8A H 1.111708 0.660739 0.174528 0.052 Uiso 1 1 calc R U . . .
H8B H 1.091692 0.778154 0.167064 0.052 Uiso 1 1 calc R U . . .
H8C H 1.011349 0.686443 0.129589 0.052 Uiso 1 1 calc R U . . .
C9 C 0.91793(15) 0.80739(13) 0.24270(11) 0.0275(4) Uani 1 1 d . . . . .
H9A H 0.866329 0.783801 0.202597 0.041 Uiso 1 1 calc R U . . .
H9B H 0.954600 0.871214 0.233752 0.041 Uiso 1 1 calc R U . . .
H9C H 0.882751 0.820932 0.290563 0.041 Uiso 1 1 calc R U . . .
C10 C 1.07128(16) 0.75853(16) 0.31111(13) 0.0383(5) Uani 1 1 d . . . . .
H10A H 1.032914 0.763088 0.357618 0.057 Uiso 1 1 calc R U . . .
H10B H 1.103799 0.826665 0.307747 0.057 Uiso 1 1 calc R U . . .
H10C H 1.125231 0.708058 0.310469 0.057 Uiso 1 1 calc R U . . .
C11 C 0.63962(12) 0.47823(12) 0.13784(8) 0.0149(3) Uani 1 1 d . . . . .
C12 C 0.56158(12) 0.45908(12) 0.08012(9) 0.0185(3) Uani 1 1 d . . . . .
H12 H 0.522801 0.514604 0.068963 0.022 Uiso 1 1 calc R U . . .
C13 C 0.54247(13) 0.36160(13) 0.04099(9) 0.0200(3) Uani 1 1 d . . . . .
H13 H 0.488339 0.347992 0.004152 0.024 Uiso 1 1 calc R U . . .
C14 C 0.60368(13) 0.28158(12) 0.05577(9) 0.0206(3) Uani 1 1 d . . . . .
H14 H 0.593948 0.213947 0.027061 0.025 Uiso 1 1 calc R U . . .
C15 C 0.67782(12) 0.30139(12) 0.11196(9) 0.0161(3) Uani 1 1 d . . . . .
C16 C 0.75305(12) 0.21795(12) 0.11378(9) 0.0181(3) Uani 1 1 d . . . . .
C17 C 0.84058(14) 0.22070(13) 0.06854(10) 0.0232(3) Uani 1 1 d . . . . .
C18 C 0.90810(14) 0.13949(14) 0.06262(11) 0.0298(4) Uani 1 1 d . . . . .
H18 H 0.968669 0.141477 0.033500 0.036 Uiso 1 1 calc R U . . .
C19 C 0.88796(14) 0.05615(14) 0.09863(11) 0.0299(4) Uani 1 1 d . . . . .
H19 H 0.935341 0.002142 0.095009 0.036 Uiso 1 1 calc R U . . .
C20 C 0.79876(14) 0.05142(13) 0.13995(10) 0.0250(4) Uani 1 1 d . . . . .
H20 H 0.783870 -0.007395 0.162794 0.030 Uiso 1 1 calc R U . . .
C21 C 0.73054(13) 0.13209(12) 0.14838(9) 0.0200(3) Uani 1 1 d . . . . .
C22 C 0.85895(16) 0.30564(15) 0.02327(11) 0.0305(4) Uani 1 1 d . . . . .
H22A H 0.818094 0.288951 -0.023394 0.046 Uiso 1 1 calc R U . . .
H22B H 0.933038 0.311697 0.012029 0.046 Uiso 1 1 calc R U . . .
H22C H 0.837656 0.371515 0.051734 0.046 Uiso 1 1 calc R U . . .
C23 C 0.63539(15) 0.12535(14) 0.19412(11) 0.0281(4) Uani 1 1 d . . . . .
H23A H 0.643873 0.174853 0.240955 0.042 Uiso 1 1 calc R U . . .
H23B H 0.625484 0.054907 0.205013 0.042 Uiso 1 1 calc R U . . .
H23C H 0.574521 0.141864 0.166334 0.042 Uiso 1 1 calc R U . . .
C24 C 0.62033(12) 0.66042(11) 0.15040(8) 0.0153(3) Uani 1 1 d . . . . .
C25 C 0.67769(12) 0.71821(12) 0.10423(9) 0.0179(3) Uani 1 1 d . . . . .
C26 C 0.63542(13) 0.80775(12) 0.08656(9) 0.0212(3) Uani 1 1 d . . . . .
H26 H 0.674304 0.848775 0.057339 0.025 Uiso 1 1 calc R U . . .
C27 C 0.53804(14) 0.83767(13) 0.11084(10) 0.0229(3) Uani 1 1 d . . . . .
H27 H 0.511603 0.899908 0.099800 0.027 Uiso 1 1 calc R U . . .
C28 C 0.47972(13) 0.77663(13) 0.15112(9) 0.0214(3) Uani 1 1 d . . . . .
H28 H 0.411598 0.795699 0.165411 0.026 Uiso 1 1 calc R U . . .
C29 C 0.51852(12) 0.68719(12) 0.17148(9) 0.0182(3) Uani 1 1 d . . . . .
C30 C 0.77908(13) 0.68077(13) 0.06904(10) 0.0214(3) Uani 1 1 d . . . . .
H30 H 0.819367 0.650723 0.106772 0.026 Uiso 1 1 calc R U . . .
C31 C 0.84780(15) 0.76663(15) 0.04426(12) 0.0329(4) Uani 1 1 d . . . . .
H31A H 0.813665 0.790824 0.002493 0.049 Uiso 1 1 calc R U . . .
H31B H 0.915155 0.739451 0.028509 0.049 Uiso 1 1 calc R U . . .
H31C H 0.858584 0.824583 0.085928 0.049 Uiso 1 1 calc R U . . .
C32 C 0.75740(16) 0.59522(15) 0.00079(11) 0.0322(4) Uani 1 1 d . . . . .
H32A H 0.717928 0.536792 0.015962 0.048 Uiso 1 1 calc R U . . .
H32B H 0.823493 0.571598 -0.020443 0.048 Uiso 1 1 calc R U . . .
H32C H 0.716942 0.622708 -0.036690 0.048 Uiso 1 1 calc R U . . .
C33 C 0.44665(13) 0.62109(13) 0.21209(10) 0.0222(3) Uani 1 1 d . . . . .
H33 H 0.484019 0.558309 0.219459 0.027 Uiso 1 1 calc R U . . .
C34 C 0.41602(14) 0.67783(15) 0.28842(10) 0.0276(4) Uani 1 1 d . . . . .
H34A H 0.478634 0.697170 0.319865 0.041 Uiso 1 1 calc R U . . .
H34B H 0.369347 0.632284 0.311900 0.041 Uiso 1 1 calc R U . . .
H34C H 0.380410 0.740495 0.282560 0.041 Uiso 1 1 calc R U . . .
C35 C 0.34708(15) 0.58462(16) 0.16531(12) 0.0341(4) Uani 1 1 d . . . . .
H35A H 0.307673 0.644908 0.159206 0.051 Uiso 1 1 calc R U . . .
H35B H 0.304286 0.538144 0.190729 0.051 Uiso 1 1 calc R U . . .
H35C H 0.365892 0.547586 0.116211 0.051 Uiso 1 1 calc R U . . .
C36 C 0.63985(12) 0.53986(11) 0.36701(8) 0.0143(3) Uani 1 1 d . . . . .
C37 C 0.56140(12) 0.54951(12) 0.42163(9) 0.0181(3) Uani 1 1 d . . . . .
H37 H 0.524230 0.489250 0.431686 0.022 Uiso 1 1 calc R U . . .
C38 C 0.53909(13) 0.64472(13) 0.45972(9) 0.0196(3) Uani 1 1 d . . . . .
H38 H 0.484760 0.651503 0.494808 0.023 Uiso 1 1 calc R U . . .
C39 C 0.59732(13) 0.73212(12) 0.44636(9) 0.0199(3) Uani 1 1 d . . . . .
H39 H 0.585307 0.798584 0.474243 0.024 Uiso 1 1 calc R U . . .
C40 C 0.67201(12) 0.72149(12) 0.39274(9) 0.0158(3) Uani 1 1 d . . . . .
C41 C 0.74429(12) 0.81420(12) 0.39138(9) 0.0174(3) Uani 1 1 d . . . . .
C42 C 0.71916(13) 0.89530(12) 0.35387(9) 0.0195(3) Uani 1 1 d . . . . .
C43 C 0.78666(14) 0.98307(13) 0.36089(10) 0.0240(4) Uani 1 1 d . . . . .
H43 H 0.770351 1.038361 0.335872 0.029 Uiso 1 1 calc R U . . .
C44 C 0.87716(15) 0.99064(14) 0.40387(11) 0.0297(4) Uani 1 1 d . . . . .
H44 H 0.924051 1.049427 0.406480 0.036 Uiso 1 1 calc R U . . .
C45 C 0.89915(15) 0.91216(14) 0.44309(11) 0.0279(4) Uani 1 1 d . . . . .
H45 H 0.960531 0.918413 0.473385 0.033 Uiso 1 1 calc R U . . .
C46 C 0.83258(13) 0.82442(13) 0.43869(9) 0.0213(3) Uani 1 1 d . . . . .
C47 C 0.62231(14) 0.88873(13) 0.30650(10) 0.0266(4) Uani 1 1 d . . . . .
H47A H 0.633308 0.845029 0.258142 0.040 Uiso 1 1 calc R U . . .
H47B H 0.605724 0.958432 0.298896 0.040 Uiso 1 1 calc R U . . .
H47C H 0.564507 0.858427 0.331464 0.040 Uiso 1 1 calc R U . . .
C48 C 0.85342(15) 0.74540(14) 0.48749(10) 0.0261(4) Uani 1 1 d . . . . .
H48A H 0.795832 0.741987 0.521835 0.039 Uiso 1 1 calc R U . . .
H48B H 0.918349 0.765593 0.516115 0.039 Uiso 1 1 calc R U . . .
H48C H 0.859645 0.677232 0.456261 0.039 Uiso 1 1 calc R U . . .
C49 C 0.62760(12) 0.35535(12) 0.35504(8) 0.0155(3) Uani 1 1 d . . . . .
C50 C 0.52794(12) 0.31355(12) 0.33011(9) 0.0179(3) Uani 1 1 d . . . . .
C51 C 0.49317(13) 0.21885(13) 0.34952(9) 0.0224(3) Uani 1 1 d . . . . .
H51 H 0.426396 0.189491 0.332608 0.027 Uiso 1 1 calc R U . . .
C52 C 0.55404(14) 0.16764(13) 0.39265(10) 0.0239(4) Uani 1 1 d . . . . .
H52 H 0.530750 0.101947 0.403233 0.029 Uiso 1 1 calc R U . . .
C53 C 0.64945(14) 0.21237(13) 0.42055(9) 0.0218(3) Uani 1 1 d . . . . .
H53 H 0.689942 0.177663 0.451622 0.026 Uiso 1 1 calc R U . . .
C54 C 0.68734(12) 0.30710(12) 0.40405(9) 0.0179(3) Uani 1 1 d . . . . .
C55 C 0.45336(12) 0.36887(13) 0.28668(10) 0.0219(3) Uani 1 1 d . . . . .
H55 H 0.487697 0.436938 0.280740 0.026 Uiso 1 1 calc R U . . .
C56 C 0.42531(14) 0.30812(15) 0.20895(10) 0.0278(4) Uani 1 1 d . . . . .
H56A H 0.488485 0.298732 0.179541 0.042 Uiso 1 1 calc R U . . .
H56B H 0.376127 0.346583 0.184143 0.042 Uiso 1 1 calc R U . . .
H56C H 0.393352 0.240131 0.213369 0.042 Uiso 1 1 calc R U . . .
C57 C 0.35232(14) 0.39068(16) 0.32989(11) 0.0330(4) Uani 1 1 d . . . . .
H57A H 0.313756 0.324984 0.331982 0.049 Uiso 1 1 calc R U . . .
H57B H 0.309408 0.434328 0.304509 0.049 Uiso 1 1 calc R U . . .
H57C H 0.369530 0.426616 0.380651 0.049 Uiso 1 1 calc R U . . .
C58 C 0.78636(13) 0.35995(13) 0.44297(10) 0.0219(3) Uani 1 1 d . . . . .
H58 H 0.826162 0.393957 0.406176 0.026 Uiso 1 1 calc R U . . .
C59 C 0.85774(15) 0.28609(16) 0.47314(11) 0.0315(4) Uani 1 1 d . . . . .
H59A H 0.822311 0.256365 0.512472 0.047 Uiso 1 1 calc R U . . .
H59B H 0.921891 0.324319 0.493639 0.047 Uiso 1 1 calc R U . . .
H59C H 0.874789 0.230245 0.432651 0.047 Uiso 1 1 calc R U . . .
C60 C 0.75994(16) 0.44433(15) 0.50865(11) 0.0329(4) Uani 1 1 d . . . . .
H60A H 0.717900 0.495626 0.490492 0.049 Uiso 1 1 calc R U . . .
H60B H 0.824419 0.478553 0.531970 0.049 Uiso 1 1 calc R U . . .
H60C H 0.720629 0.412661 0.545392 0.049 Uiso 1 1 calc R U . . .
C100 C 0.6865(2) 0.04176(19) 0.57157(14) 0.0505(6) Uani 1 1 d . . . . .
H10D H 0.707750 0.013557 0.520918 0.076 Uiso 1 1 calc R U . . .
H10E H 0.708050 0.115580 0.583530 0.076 Uiso 1 1 calc R U . . .
H10F H 0.610709 0.033451 0.574741 0.076 Uiso 1 1 calc R U . . .
C101 C 0.73770(18) -0.01599(16) 0.62657(13) 0.0404(5) Uani 1 1 d . . . . .
H10G H 0.719299 -0.091058 0.612141 0.049 Uiso 1 1 calc R U . . .
H10H H 0.814204 -0.006138 0.623691 0.049 Uiso 1 1 calc R U . . .
C102 C 0.70560(16) 0.01974(15) 0.70624(12) 0.0348(4) Uani 1 1 d . . . . .
H10I H 0.629439 0.007041 0.709216 0.042 Uiso 1 1 calc R U . . .
H10J H 0.720815 0.095504 0.719505 0.042 Uiso 1 1 calc R U . . .
C103 C 0.75890(17) -0.03290(17) 0.76322(13) 0.0382(5) Uani 1 1 d . . . . .
H10K H 0.834936 -0.018040 0.761819 0.046 Uiso 1 1 calc R U . . .
H10L H 0.745739 -0.108865 0.749251 0.046 Uiso 1 1 calc R U . . .
C104 C 0.7226(2) 0.00158(19) 0.84227(13) 0.0462(5) Uani 1 1 d . . . . .
H10M H 0.738283 0.077109 0.856885 0.055 Uiso 1 1 calc R U . . .
H10N H 0.646137 -0.010649 0.843181 0.055 Uiso 1 1 calc R U . . .
C105 C 0.7724(3) -0.0537(2) 0.89904(16) 0.0633(8) Uani 1 1 d . . . . .
H10O H 0.754173 -0.128206 0.886603 0.095 Uiso 1 1 calc R U . . .
H10P H 0.747196 -0.026465 0.948789 0.095 Uiso 1 1 calc R U . . .
H10Q H 0.848215 -0.042234 0.898494 0.095 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr1 Cr2 1.8694(3) . ?
Cr1 P1 2.5677(5) . ?
Cr1 P2 2.6644(5) . ?
Cr1 N1 2.0720(13) . ?
Cr1 N4 2.0307(13) . ?
Cr1 C1 2.0889(15) . ?
Cr2 P1 2.6757(5) . ?
Cr2 P2 2.5697(5) . ?
Cr2 N2 2.0380(13) . ?
Cr2 N3 2.0736(13) . ?
Cr2 C6 2.0951(16) . ?
P1 P2 2.6708(6) . ?
P1 C1 1.8076(17) . ?
P1 C6 1.8195(16) . ?
P2 C1 1.8184(16) . ?
P2 C6 1.8051(17) . ?
N1 C11 1.3805(19) . ?
N1 C15 1.3816(19) . ?
N2 C11 1.3517(19) . ?
N2 C24 1.4430(19) . ?
N3 C36 1.3809(19) . ?
N3 C40 1.3824(19) . ?
N4 C36 1.3522(19) . ?
N4 C49 1.4430(19) . ?
C1 C2 1.544(2) . ?
C2 C3 1.539(2) . ?
C2 C4 1.526(2) . ?
C2 C5 1.532(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.542(2) . ?
C7 C8 1.537(3) . ?
C7 C9 1.525(2) . ?
C7 C10 1.536(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.427(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.361(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.401(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.373(2) . ?
C15 C16 1.498(2) . ?
C16 C17 1.407(2) . ?
C16 C21 1.402(2) . ?
C17 C18 1.396(2) . ?
C17 C22 1.507(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.384(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.395(2) . ?
C21 C23 1.497(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.417(2) . ?
C24 C29 1.413(2) . ?
C25 C26 1.401(2) . ?
C25 C30 1.525(2) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(2) . ?
C27 H27 0.9500 . ?
C27 C28 1.379(3) . ?
C28 H28 0.9500 . ?
C28 C29 1.400(2) . ?
C29 C33 1.522(2) . ?
C30 H30 1.0000 . ?
C30 C31 1.531(2) . ?
C30 C32 1.536(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33 1.0000 . ?
C33 C34 1.525(2) . ?
C33 C35 1.540(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.420(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.364(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.397(2) . ?
C39 H39 0.9500 . ?
C39 C40 1.373(2) . ?
C40 C41 1.499(2) . ?
C41 C42 1.407(2) . ?
C41 C46 1.405(2) . ?
C42 C43 1.395(2) . ?
C42 C47 1.497(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.385(3) . ?
C44 H44 0.9500 . ?
C44 C45 1.387(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.391(2) . ?
C46 C48 1.507(2) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C50 1.409(2) . ?
C49 C54 1.418(2) . ?
C50 C51 1.403(2) . ?
C50 C55 1.522(2) . ?
C51 H51 0.9500 . ?
C51 C52 1.377(3) . ?
C52 H52 0.9500 . ?
C52 C53 1.387(3) . ?
C53 H53 0.9500 . ?
C53 C54 1.394(2) . ?
C54 C58 1.527(2) . ?
C55 H55 1.0000 . ?
C55 C56 1.530(2) . ?
C55 C57 1.541(2) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58 1.0000 . ?
C58 C59 1.529(2) . ?
C58 C60 1.536(2) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C100 H10D 0.9800 . ?
C100 H10E 0.9800 . ?
C100 H10F 0.9800 . ?
C100 C101 1.517(3) . ?
C101 H10G 0.9900 . ?
C101 H10H 0.9900 . ?
C101 C102 1.515(3) . ?
C102 H10I 0.9900 . ?
C102 H10J 0.9900 . ?
C102 C103 1.516(3) . ?
C103 H10K 0.9900 . ?
C103 H10L 0.9900 . ?
C103 C104 1.519(3) . ?
C104 H10M 0.9900 . ?
C104 H10N 0.9900 . ?
C104 C105 1.514(3) . ?
C105 H10O 0.9800 . ?
C105 H10P 0.9800 . ?
C105 H10Q 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cr2 Cr1 P1 72.240(14) . . ?
Cr2 Cr1 P2 66.388(13) . . ?
Cr2 Cr1 N1 98.84(4) . . ?
Cr2 Cr1 N4 93.01(4) . . ?
Cr2 Cr1 C1 98.11(5) . . ?
P1 Cr1 P2 61.357(14) . . ?
N1 Cr1 P1 94.42(4) . . ?
N1 Cr1 P2 154.04(4) . . ?
N1 Cr1 C1 125.62(6) . . ?
N4 Cr1 P1 160.92(4) . . ?
N4 Cr1 P2 102.03(4) . . ?
N4 Cr1 N1 99.90(5) . . ?
N4 Cr1 C1 130.23(6) . . ?
C1 Cr1 P1 44.21(5) . . ?
C1 Cr1 P2 42.89(4) . . ?
Cr1 Cr2 P1 66.050(13) . . ?
Cr1 Cr2 P2 71.809(14) . . ?
Cr1 Cr2 N2 92.94(4) . . ?
Cr1 Cr2 N3 98.89(4) . . ?
Cr1 Cr2 C6 97.54(5) . . ?
P2 Cr2 P1 61.178(14) . . ?
N2 Cr2 P1 102.66(4) . . ?
N2 Cr2 P2 160.97(4) . . ?
N2 Cr2 N3 98.97(5) . . ?
N2 Cr2 C6 131.08(6) . . ?
N3 Cr2 P1 154.06(4) . . ?
N3 Cr2 P2 94.70(4) . . ?
N3 Cr2 C6 125.95(6) . . ?
C6 Cr2 P1 42.71(4) . . ?
C6 Cr2 P2 44.09(5) . . ?
Cr1 P1 Cr2 41.710(10) . . ?
Cr1 P1 P2 61.105(14) . . ?
P2 P1 Cr2 57.454(13) . . ?
C1 P1 Cr1 53.69(5) . . ?
C1 P1 Cr2 81.28(5) . . ?
C1 P1 P2 42.72(5) . . ?
C1 P1 C6 85.03(8) . . ?
C6 P1 Cr1 83.91(5) . . ?
C6 P1 Cr2 51.35(5) . . ?
C6 P1 P2 42.33(5) . . ?
Cr1 P2 P1 57.538(13) . . ?
Cr2 P2 Cr1 41.803(10) . . ?
Cr2 P2 P1 61.369(14) . . ?
C1 P2 Cr1 51.42(5) . . ?
C1 P2 Cr2 84.16(5) . . ?
C1 P2 P1 42.40(5) . . ?
C6 P2 Cr1 81.36(5) . . ?
C6 P2 Cr2 53.85(5) . . ?
C6 P2 P1 42.74(5) . . ?
C6 P2 C1 85.13(8) . . ?
C11 N1 Cr1 111.00(10) . . ?
C11 N1 C15 117.42(13) . . ?
C15 N1 Cr1 131.57(10) . . ?
C11 N2 Cr2 118.62(10) . . ?
C11 N2 C24 117.04(13) . . ?
C24 N2 Cr2 124.23(10) . . ?
C36 N3 Cr2 110.94(9) . . ?
C36 N3 C40 117.37(13) . . ?
C40 N3 Cr2 131.69(10) . . ?
C36 N4 Cr1 118.96(10) . . ?
C36 N4 C49 117.29(12) . . ?
C49 N4 Cr1 123.65(9) . . ?
P1 C1 Cr1 82.10(6) . . ?
P1 C1 P2 94.88(8) . . ?
P2 C1 Cr1 85.69(6) . . ?
C2 C1 Cr1 125.12(11) . . ?
C2 C1 P1 128.90(12) . . ?
C2 C1 P2 125.94(12) . . ?
C3 C2 C1 109.04(14) . . ?
C4 C2 C1 112.36(14) . . ?
C4 C2 C3 108.90(15) . . ?
C4 C2 C5 109.16(15) . . ?
C5 C2 C1 109.31(14) . . ?
C5 C2 C3 107.97(14) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
P1 C6 Cr2 85.94(6) . . ?
P2 C6 Cr2 82.07(6) . . ?
P2 C6 P1 94.93(8) . . ?
C7 C6 Cr2 124.95(11) . . ?
C7 C6 P1 125.90(12) . . ?
C7 C6 P2 128.91(12) . . ?
C8 C7 C6 109.18(14) . . ?
C9 C7 C6 112.19(14) . . ?
C9 C7 C8 108.93(16) . . ?
C9 C7 C10 108.75(16) . . ?
C10 C7 C6 109.00(15) . . ?
C10 C7 C8 108.72(16) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 120.24(14) . . ?
N2 C11 N1 116.54(13) . . ?
N2 C11 C12 123.20(14) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.26(15) . . ?
C13 C12 H12 119.9 . . ?
C12 C13 H13 120.4 . . ?
C12 C13 C14 119.11(15) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 H14 120.2 . . ?
C15 C14 C13 119.67(15) . . ?
C15 C14 H14 120.2 . . ?
N1 C15 C16 121.33(14) . . ?
C14 C15 N1 122.45(14) . . ?
C14 C15 C16 115.63(14) . . ?
C17 C16 C15 116.30(15) . . ?
C21 C16 C15 122.39(14) . . ?
C21 C16 C17 120.52(15) . . ?
C16 C17 C22 121.37(15) . . ?
C18 C17 C16 118.73(17) . . ?
C18 C17 C22 119.80(16) . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.86(17) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.04(16) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.72(17) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 C23 121.50(15) . . ?
C20 C21 C16 119.00(16) . . ?
C20 C21 C23 119.50(16) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 N2 118.48(13) . . ?
C29 C24 N2 121.36(14) . . ?
C29 C24 C25 120.16(14) . . ?
C24 C25 C30 121.61(14) . . ?
C26 C25 C24 118.46(15) . . ?
C26 C25 C30 119.75(15) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.32(16) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.64(15) . . ?
C28 C27 H27 120.2 . . ?
C27 C28 H28 119.2 . . ?
C27 C28 C29 121.57(16) . . ?
C29 C28 H28 119.2 . . ?
C24 C29 C33 123.37(14) . . ?
C28 C29 C24 118.53(15) . . ?
C28 C29 C33 118.04(15) . . ?
C25 C30 H30 108.1 . . ?
C25 C30 C31 113.82(14) . . ?
C25 C30 C32 110.85(14) . . ?
C31 C30 H30 108.1 . . ?
C31 C30 C32 107.81(15) . . ?
C32 C30 H30 108.1 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C29 C33 H33 108.1 . . ?
C29 C33 C34 112.76(14) . . ?
C29 C33 C35 110.78(15) . . ?
C34 C33 H33 108.1 . . ?
C34 C33 C35 108.81(14) . . ?
C35 C33 H33 108.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N3 C36 C37 120.21(13) . . ?
N4 C36 N3 116.39(13) . . ?
N4 C36 C37 123.40(14) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.45(15) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 120.5 . . ?
C37 C38 C39 119.02(15) . . ?
C39 C38 H38 120.5 . . ?
C38 C39 H39 120.2 . . ?
C40 C39 C38 119.69(14) . . ?
C40 C39 H39 120.2 . . ?
N3 C40 C41 120.62(13) . . ?
C39 C40 N3 122.45(14) . . ?
C39 C40 C41 116.42(14) . . ?
C42 C41 C40 122.57(14) . . ?
C46 C41 C40 116.43(14) . . ?
C46 C41 C42 120.34(15) . . ?
C41 C42 C47 121.36(15) . . ?
C43 C42 C41 118.90(15) . . ?
C43 C42 C47 119.74(15) . . ?
C42 C43 H43 119.6 . . ?
C44 C43 C42 120.84(16) . . ?
C44 C43 H43 119.6 . . ?
C43 C44 H44 120.1 . . ?
C43 C44 C45 119.83(16) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 119.5 . . ?
C44 C45 C46 120.94(17) . . ?
C46 C45 H45 119.5 . . ?
C41 C46 C48 121.43(15) . . ?
C45 C46 C41 118.95(16) . . ?
C45 C46 C48 119.55(16) . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 N4 121.17(14) . . ?
C50 C49 C54 120.37(14) . . ?
C54 C49 N4 118.47(14) . . ?
C49 C50 C55 123.26(14) . . ?
C51 C50 C49 118.59(15) . . ?
C51 C50 C55 118.06(15) . . ?
C50 C51 H51 119.4 . . ?
C52 C51 C50 121.23(16) . . ?
C52 C51 H51 119.4 . . ?
C51 C52 H52 120.1 . . ?
C51 C52 C53 119.73(15) . . ?
C53 C52 H52 120.1 . . ?
C52 C53 H53 119.2 . . ?
C52 C53 C54 121.52(16) . . ?
C54 C53 H53 119.2 . . ?
C49 C54 C58 121.68(14) . . ?
C53 C54 C49 118.23(15) . . ?
C53 C54 C58 119.92(15) . . ?
C50 C55 H55 108.1 . . ?
C50 C55 C56 113.10(14) . . ?
C50 C55 C57 110.66(15) . . ?
C56 C55 H55 108.1 . . ?
C56 C55 C57 108.76(14) . . ?
C57 C55 H55 108.1 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 H58 108.1 . . ?
C54 C58 C59 114.12(15) . . ?
C54 C58 C60 110.76(14) . . ?
C59 C58 H58 108.1 . . ?
C59 C58 C60 107.48(15) . . ?
C60 C58 H58 108.1 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
H10D C100 H10E 109.5 . . ?
H10D C100 H10F 109.5 . . ?
H10E C100 H10F 109.5 . . ?
C101 C100 H10D 109.5 . . ?
C101 C100 H10E 109.5 . . ?
C101 C100 H10F 109.5 . . ?
C100 C101 H10G 109.0 . . ?
C100 C101 H10H 109.0 . . ?
H10G C101 H10H 107.8 . . ?
C102 C101 C100 113.05(19) . . ?
C102 C101 H10G 109.0 . . ?
C102 C101 H10H 109.0 . . ?
C101 C102 H10I 108.6 . . ?
C101 C102 H10J 108.6 . . ?
C101 C102 C103 114.52(18) . . ?
H10I C102 H10J 107.6 . . ?
C103 C102 H10I 108.6 . . ?
C103 C102 H10J 108.6 . . ?
C102 C103 H10K 108.9 . . ?
C102 C103 H10L 108.9 . . ?
C102 C103 C104 113.45(18) . . ?
H10K C103 H10L 107.7 . . ?
C104 C103 H10K 108.9 . . ?
C104 C103 H10L 108.9 . . ?
C103 C104 H10M 108.8 . . ?
C103 C104 H10N 108.8 . . ?
H10M C104 H10N 107.7 . . ?
C105 C104 C103 113.7(2) . . ?
C105 C104 H10M 108.8 . . ?
C105 C104 H10N 108.8 . . ?
C104 C105 H10O 109.5 . . ?
C104 C105 H10P 109.5 . . ?
C104 C105 H10Q 109.5 . . ?
H10O C105 H10P 109.5 . . ?
H10O C105 H10Q 109.5 . . ?
H10P C105 H10Q 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cr1 P1 C1 P2 -84.95(6) . . . . ?
Cr1 P1 C1 C2 129.37(17) . . . . ?
Cr1 P1 C6 Cr2 -28.85(4) . . . . ?
Cr1 P1 C6 P2 52.81(5) . . . . ?
Cr1 P1 C6 C7 -159.97(14) . . . . ?
Cr1 P2 C1 P1 81.68(6) . . . . ?
Cr1 P2 C1 C2 -131.14(17) . . . . ?
Cr1 P2 C6 Cr2 34.64(3) . . . . ?
Cr1 P2 C6 P1 -50.55(5) . . . . ?
Cr1 P2 C6 C7 163.75(15) . . . . ?
Cr1 N1 C11 N2 10.39(16) . . . . ?
Cr1 N1 C11 C12 -170.99(11) . . . . ?
Cr1 N1 C15 C14 171.60(12) . . . . ?
Cr1 N1 C15 C16 -17.6(2) . . . . ?
Cr1 N4 C36 N3 -2.22(18) . . . . ?
Cr1 N4 C36 C37 178.76(12) . . . . ?
Cr1 N4 C49 C50 -103.26(15) . . . . ?
Cr1 N4 C49 C54 76.64(16) . . . . ?
Cr1 C1 C2 C3 121.91(14) . . . . ?
Cr1 C1 C2 C4 1.1(2) . . . . ?
Cr1 C1 C2 C5 -120.27(14) . . . . ?
Cr2 P1 C1 Cr1 34.46(3) . . . . ?
Cr2 P1 C1 P2 -50.49(5) . . . . ?
Cr2 P1 C1 C2 163.83(15) . . . . ?
Cr2 P1 C6 P2 81.66(6) . . . . ?
Cr2 P1 C6 C7 -131.12(17) . . . . ?
Cr2 P2 C1 Cr1 -28.72(4) . . . . ?
Cr2 P2 C1 P1 52.96(5) . . . . ?
Cr2 P2 C1 C2 -159.86(14) . . . . ?
Cr2 P2 C6 P1 -85.19(6) . . . . ?
Cr2 P2 C6 C7 129.11(16) . . . . ?
Cr2 N2 C11 N1 -1.37(18) . . . . ?
Cr2 N2 C11 C12 -179.95(12) . . . . ?
Cr2 N2 C24 C25 75.37(16) . . . . ?
Cr2 N2 C24 C29 -104.89(15) . . . . ?
Cr2 N3 C36 N4 10.36(16) . . . . ?
Cr2 N3 C36 C37 -170.59(12) . . . . ?
Cr2 N3 C40 C39 171.34(12) . . . . ?
Cr2 N3 C40 C41 -17.2(2) . . . . ?
Cr2 C6 C7 C8 -119.05(15) . . . . ?
Cr2 C6 C7 C9 1.8(2) . . . . ?
Cr2 C6 C7 C10 122.32(15) . . . . ?
P1 Cr1 Cr2 P2 -65.839(14) . . . . ?
P1 Cr1 Cr2 N2 102.55(4) . . . . ?
P1 Cr1 Cr2 N3 -157.89(4) . . . . ?
P1 Cr1 Cr2 C6 -29.56(5) . . . . ?
P1 P2 C1 Cr1 -81.68(6) . . . . ?
P1 P2 C1 C2 147.18(18) . . . . ?
P1 P2 C6 Cr2 85.19(6) . . . . ?
P1 P2 C6 C7 -145.70(18) . . . . ?
P1 C1 C2 C3 11.3(2) . . . . ?
P1 C1 C2 C4 -109.51(16) . . . . ?
P1 C1 C2 C5 129.14(15) . . . . ?
P1 C6 C7 C8 -5.5(2) . . . . ?
P1 C6 C7 C9 115.35(16) . . . . ?
P1 C6 C7 C10 -124.15(16) . . . . ?
P2 Cr1 Cr2 P1 65.839(14) . . . . ?
P2 Cr1 Cr2 N2 168.39(4) . . . . ?
P2 Cr1 Cr2 N3 -92.05(4) . . . . ?
P2 Cr1 Cr2 C6 36.28(5) . . . . ?
P2 P1 C1 Cr1 84.95(6) . . . . ?
P2 P1 C1 C2 -145.68(18) . . . . ?
P2 P1 C6 Cr2 -81.66(6) . . . . ?
P2 P1 C6 C7 147.22(18) . . . . ?
P2 C1 C2 C3 -124.74(15) . . . . ?
P2 C1 C2 C4 114.43(15) . . . . ?
P2 C1 C2 C5 -6.9(2) . . . . ?
P2 C6 C7 C8 130.61(15) . . . . ?
P2 C6 C7 C9 -108.54(17) . . . . ?
P2 C6 C7 C10 12.0(2) . . . . ?
N1 Cr1 Cr2 P1 -91.84(4) . . . . ?
N1 Cr1 Cr2 P2 -157.67(4) . . . . ?
N1 Cr1 Cr2 N2 10.71(5) . . . . ?
N1 Cr1 Cr2 N3 110.27(5) . . . . ?
N1 Cr1 Cr2 C6 -121.40(6) . . . . ?
N1 C11 C12 C13 -4.0(2) . . . . ?
N1 C15 C16 C17 -85.79(19) . . . . ?
N1 C15 C16 C21 104.40(18) . . . . ?
N2 C11 C12 C13 174.55(15) . . . . ?
N2 C24 C25 C26 -173.93(13) . . . . ?
N2 C24 C25 C30 10.8(2) . . . . ?
N2 C24 C29 C28 174.89(14) . . . . ?
N2 C24 C29 C33 -8.1(2) . . . . ?
N3 C36 C37 C38 -4.3(2) . . . . ?
N3 C40 C41 C42 103.45(18) . . . . ?
N3 C40 C41 C46 -85.77(18) . . . . ?
N4 Cr1 Cr2 P1 167.66(4) . . . . ?
N4 Cr1 Cr2 P2 101.82(4) . . . . ?
N4 Cr1 Cr2 N2 -89.80(5) . . . . ?
N4 Cr1 Cr2 N3 9.77(5) . . . . ?
N4 Cr1 Cr2 C6 138.09(6) . . . . ?
N4 C36 C37 C38 174.64(15) . . . . ?
N4 C49 C50 C51 174.47(14) . . . . ?
N4 C49 C50 C55 -9.1(2) . . . . ?
N4 C49 C54 C53 -173.53(13) . . . . ?
N4 C49 C54 C58 11.1(2) . . . . ?
C1 Cr1 Cr2 P1 36.30(5) . . . . ?
C1 Cr1 Cr2 P2 -29.54(5) . . . . ?
C1 Cr1 Cr2 N2 138.85(6) . . . . ?
C1 Cr1 Cr2 N3 -121.59(6) . . . . ?
C1 Cr1 Cr2 C6 6.74(7) . . . . ?
C1 P1 C6 Cr2 -82.80(7) . . . . ?
C1 P1 C6 P2 -1.14(7) . . . . ?
C1 P1 C6 C7 146.09(15) . . . . ?
C1 P2 C6 Cr2 86.32(6) . . . . ?
C1 P2 C6 P1 1.13(7) . . . . ?
C1 P2 C6 C7 -144.57(15) . . . . ?
C6 P1 C1 Cr1 86.08(6) . . . . ?
C6 P1 C1 P2 1.13(7) . . . . ?
C6 P1 C1 C2 -144.55(15) . . . . ?
C6 P2 C1 Cr1 -82.82(7) . . . . ?
C6 P2 C1 P1 -1.14(7) . . . . ?
C6 P2 C1 C2 146.04(15) . . . . ?
C11 N1 C15 C14 -9.8(2) . . . . ?
C11 N1 C15 C16 161.04(14) . . . . ?
C11 N2 C24 C25 -100.75(16) . . . . ?
C11 N2 C24 C29 78.99(18) . . . . ?
C11 C12 C13 C14 -3.0(2) . . . . ?
C12 C13 C14 C15 3.5(3) . . . . ?
C13 C14 C15 N1 3.0(2) . . . . ?
C13 C14 C15 C16 -168.30(15) . . . . ?
C14 C15 C16 C17 85.63(19) . . . . ?
C14 C15 C16 C21 -84.2(2) . . . . ?
C15 N1 C11 N2 -168.50(13) . . . . ?
C15 N1 C11 C12 10.1(2) . . . . ?
C15 C16 C17 C18 -174.06(15) . . . . ?
C15 C16 C17 C22 2.3(2) . . . . ?
C15 C16 C21 C20 172.19(15) . . . . ?
C15 C16 C21 C23 -7.9(2) . . . . ?
C16 C17 C18 C19 2.0(3) . . . . ?
C17 C16 C21 C20 2.8(2) . . . . ?
C17 C16 C21 C23 -177.35(16) . . . . ?
C17 C18 C19 C20 1.4(3) . . . . ?
C18 C19 C20 C21 -2.7(3) . . . . ?
C19 C20 C21 C16 0.6(3) . . . . ?
C19 C20 C21 C23 -179.28(17) . . . . ?
C21 C16 C17 C18 -4.0(2) . . . . ?
C21 C16 C17 C22 172.29(16) . . . . ?
C22 C17 C18 C19 -174.43(18) . . . . ?
C24 N2 C11 N1 174.97(13) . . . . ?
C24 N2 C11 C12 -3.6(2) . . . . ?
C24 C25 C26 C27 -2.5(2) . . . . ?
C24 C25 C30 C31 -160.21(15) . . . . ?
C24 C25 C30 C32 78.06(19) . . . . ?
C24 C29 C33 C34 118.67(17) . . . . ?
C24 C29 C33 C35 -119.12(17) . . . . ?
C25 C24 C29 C28 -5.4(2) . . . . ?
C25 C24 C29 C33 171.64(14) . . . . ?
C25 C26 C27 C28 -2.2(2) . . . . ?
C26 C25 C30 C31 24.6(2) . . . . ?
C26 C25 C30 C32 -97.13(18) . . . . ?
C26 C27 C28 C29 3.2(2) . . . . ?
C27 C28 C29 C24 0.6(2) . . . . ?
C27 C28 C29 C33 -176.60(15) . . . . ?
C28 C29 C33 C34 -64.30(19) . . . . ?
C28 C29 C33 C35 57.9(2) . . . . ?
C29 C24 C25 C26 6.3(2) . . . . ?
C29 C24 C25 C30 -168.92(14) . . . . ?
C30 C25 C26 C27 172.80(15) . . . . ?
C36 N3 C40 C39 -9.6(2) . . . . ?
C36 N3 C40 C41 161.93(14) . . . . ?
C36 N4 C49 C50 80.33(18) . . . . ?
C36 N4 C49 C54 -99.76(16) . . . . ?
C36 C37 C38 C39 -2.5(2) . . . . ?
C37 C38 C39 C40 3.3(2) . . . . ?
C38 C39 C40 N3 2.9(2) . . . . ?
C38 C39 C40 C41 -168.93(15) . . . . ?
C39 C40 C41 C42 -84.57(19) . . . . ?
C39 C40 C41 C46 86.21(18) . . . . ?
C40 N3 C36 N4 -168.93(13) . . . . ?
C40 N3 C36 C37 10.1(2) . . . . ?
C40 C41 C42 C43 174.31(15) . . . . ?
C40 C41 C42 C47 -6.1(2) . . . . ?
C40 C41 C46 C45 -176.19(15) . . . . ?
C40 C41 C46 C48 0.6(2) . . . . ?
C41 C42 C43 C44 0.1(3) . . . . ?
C42 C41 C46 C45 -5.2(2) . . . . ?
C42 C41 C46 C48 171.58(15) . . . . ?
C42 C43 C44 C45 -2.8(3) . . . . ?
C43 C44 C45 C46 1.4(3) . . . . ?
C44 C45 C46 C41 2.5(3) . . . . ?
C44 C45 C46 C48 -174.29(17) . . . . ?
C46 C41 C42 C43 3.9(2) . . . . ?
C46 C41 C42 C47 -176.54(15) . . . . ?
C47 C42 C43 C44 -179.46(17) . . . . ?
C49 N4 C36 N3 174.36(13) . . . . ?
C49 N4 C36 C37 -4.7(2) . . . . ?
C49 C50 C51 C52 0.7(2) . . . . ?
C49 C50 C55 C56 118.86(17) . . . . ?
C49 C50 C55 C57 -118.84(17) . . . . ?
C49 C54 C58 C59 -161.77(15) . . . . ?
C49 C54 C58 C60 76.79(19) . . . . ?
C50 C49 C54 C53 6.4(2) . . . . ?
C50 C49 C54 C58 -168.97(14) . . . . ?
C50 C51 C52 C53 3.1(2) . . . . ?
C51 C50 C55 C56 -64.64(19) . . . . ?
C51 C50 C55 C57 57.7(2) . . . . ?
C51 C52 C53 C54 -2.1(2) . . . . ?
C52 C53 C54 C49 -2.6(2) . . . . ?
C52 C53 C54 C58 172.83(15) . . . . ?
C53 C54 C58 C59 23.0(2) . . . . ?
C53 C54 C58 C60 -98.48(18) . . . . ?
C54 C49 C50 C51 -5.4(2) . . . . ?
C54 C49 C50 C55 171.04(14) . . . . ?
C55 C50 C51 C52 -176.01(15) . . . . ?
C100 C101 C102 C103 -177.39(19) . . . . ?
C101 C102 C103 C104 -177.99(19) . . . . ?
C102 C103 C104 C105 177.8(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mp_abs
_database_code_depnum_ccdc_archive 'CCDC 2247229'
loop_
_audit_author_name
_audit_author_address
'Manfred Scheer'
;University of Regensburg
Germany
;
_audit_update_record             
;
2023-03-08 deposited with the CCDC.	2023-06-15 downloaded from the CCDC.
;
_audit_creation_date             2023-01-26
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2022.11.02 svn.ra8b101fa for OlexSys, GUI svn.r6635)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C61 H73 Cr2 N4 P'
_chemical_formula_sum            'C61 H73 Cr2 N4 P'
_chemical_formula_weight         997.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   10.2784(6)
_cell_length_b                   22.2038(13)
_cell_length_c                   12.5344(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.268(5)
_cell_angle_gamma                90
_cell_volume                     2759.6(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2952
_cell_measurement_temperature    123.1(3)
_cell_measurement_theta_max      73.8060
_cell_measurement_theta_min      4.1390
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.820
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.796
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          0.1008
_exptl_crystal_size_mid          0.0728
_exptl_crystal_size_min          0.0211
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0423
_diffrn_reflns_av_unetI/netI     0.0596
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.945
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9570
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.945
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.377
_diffrn_reflns_theta_min         4.163
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 4.1818
_diffrn_detector_type            TitanS2
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.945
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   41.00  118.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.5756 -178.0000    0.0000 154

#__ type_ start__ end____ width___ exp.time_
  2 omega   18.00  111.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       43.5756   77.0000   90.0000 186

#__ type_ start__ end____ width___ exp.time_
  3 omega   33.00  120.00   0.5000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000 -125.0000   30.0000 174

#__ type_ start__ end____ width___ exp.time_
  4 omega   96.00  172.00   0.5000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000   45.0000  150.0000 152

#__ type_ start__ end____ width___ exp.time_
  5 omega   33.00   91.00   0.5000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000  -30.0000 116

#__ type_ start__ end____ width___ exp.time_
  6 omega   39.00  124.00   0.5000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -77.0000   30.0000 170

#__ type_ start__ end____ width___ exp.time_
  7 omega   32.00   83.00   0.5000   80.0000
omega____ theta____ kappa____ phi______ frames
    -      104.5000  -30.0000   30.0000 102
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'GV50, TitanS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3731
_reflns_number_total             5342
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
;
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.358
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5342
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1074
_refine_ls_R_factor_gt           0.0835
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1539P)²+1.4619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2358
_refine_ls_wR_factor_ref         0.2465
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C1(0.5) P1(0.5) C2(0.5) C3(0.5) H3A(0.5) H3B(0.5) C4(0.5) H4(0.5)
 C5(0.5) H5A(0.5) H5B(0.5) C6(0.5) H6(0.5) C7(0.5) H7A(0.5) H7B(0.5) C8(0.5)
 H8A(0.5) H8B(0.5) C9(0.5) H9(0.5) C10(0.5) H10A(0.5) H10B(0.5) C11(0.5)
 H11A(0.5) H11B(0.5)
3.a Ternary CH refined with riding coordinates:
 C31(H31), C34(H34), C4(H4), C6(H6), C9(H9)
3.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C5(H5A,H5B), C7(H7A,H7B), C8(H8A,H8B), C10(H10A,H10B), C11(H11A,
 H11B)
3.c Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C19(H19), C20(H20), C21(H21), C27(H27),
 C28(H28), C29(H29)
3.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.54051(8) 0.75095(3) 0.32324(5) 0.0283(2) Uani 1 1 d . . . . .
N1 N 0.3958(4) 0.80013(16) 0.3687(3) 0.0246(7) Uani 1 1 d . . . . .
N2 N 0.3133(4) 0.81232(17) 0.1804(3) 0.0263(8) Uani 1 1 d . . . . .
C1 C 0.5466(14) 0.6604(4) 0.2719(7) 0.028(2) Uani 0.5 1 d . . P A .
C12 C 0.3865(5) 0.8055(2) 0.4748(3) 0.0282(9) Uani 1 1 d . . . . .
C13 C 0.2861(5) 0.8383(2) 0.5005(3) 0.0332(10) Uani 1 1 d . . . . .
H13 H 0.282430 0.842489 0.575074 0.040 Uiso 1 1 calc R U . . .
C14 C 0.1886(5) 0.8657(2) 0.4139(4) 0.0334(10) Uani 1 1 d . . . . .
H14 H 0.119503 0.889738 0.429792 0.040 Uiso 1 1 calc R U . . .
C15 C 0.1935(5) 0.8578(2) 0.3068(3) 0.0306(10) Uani 1 1 d . . . . .
H15 H 0.125107 0.874634 0.248118 0.037 Uiso 1 1 calc R U . . .
C16 C 0.2991(4) 0.82489(19) 0.2833(3) 0.0262(9) Uani 1 1 d . . . . .
C17 C 0.4845(5) 0.7679(2) 0.5567(3) 0.0291(9) Uani 1 1 d . . . . .
C18 C 0.4625(5) 0.7060(2) 0.5578(3) 0.0351(11) Uani 1 1 d . . . . .
C19 C 0.5578(6) 0.6695(2) 0.6284(4) 0.0427(12) Uani 1 1 d . . . . .
H19 H 0.545572 0.627123 0.627260 0.051 Uiso 1 1 calc R U . . .
C20 C 0.6714(6) 0.6952(3) 0.7008(4) 0.0470(14) Uani 1 1 d . . . . .
H20 H 0.737067 0.670108 0.747831 0.056 Uiso 1 1 calc R U . . .
C21 C 0.6881(5) 0.7563(3) 0.7039(4) 0.0416(12) Uani 1 1 d . . . . .
H21 H 0.763847 0.773071 0.755819 0.050 Uiso 1 1 calc R U . . .
C22 C 0.5973(5) 0.7948(2) 0.6332(3) 0.0328(10) Uani 1 1 d . . . . .
C23 C 0.3323(5) 0.6782(2) 0.4916(4) 0.0384(11) Uani 1 1 d . . . . .
H23A H 0.260123 0.687471 0.526823 0.058 Uiso 1 1 calc R U . . .
H23B H 0.343177 0.634388 0.488703 0.058 Uiso 1 1 calc R U . . .
H23C H 0.309100 0.694543 0.416391 0.058 Uiso 1 1 calc R U . . .
C24 C 0.6166(5) 0.8608(3) 0.6406(4) 0.0424(12) Uani 1 1 d . . . . .
H24A H 0.589897 0.878250 0.566241 0.064 Uiso 1 1 calc R U . . .
H24B H 0.711807 0.869824 0.674891 0.064 Uiso 1 1 calc R U . . .
H24C H 0.561070 0.877955 0.685636 0.064 Uiso 1 1 calc R U . . .
C25 C 0.2217(4) 0.8410(2) 0.0880(3) 0.0269(9) Uani 1 1 d . . . . .
C26 C 0.2225(5) 0.9032(2) 0.0739(4) 0.0361(11) Uani 1 1 d . . . . .
C27 C 0.1326(6) 0.9290(3) -0.0191(4) 0.0457(13) Uani 1 1 d . . . . .
H27 H 0.132453 0.971440 -0.028704 0.055 Uiso 1 1 calc R U . . .
C28 C 0.0452(6) 0.8945(3) -0.0960(4) 0.0480(14) Uani 1 1 d . . . . .
H28 H -0.014781 0.912762 -0.158299 0.058 Uiso 1 1 calc R U . . .
C29 C 0.0449(5) 0.8331(3) -0.0824(3) 0.0419(12) Uani 1 1 d . . . . .
H29 H -0.014207 0.809263 -0.137379 0.050 Uiso 1 1 calc R U . . .
C30 C 0.1292(5) 0.8044(2) 0.0103(3) 0.0317(10) Uani 1 1 d . . . . .
C31 C 0.3190(6) 0.9454(2) 0.1515(4) 0.0435(12) Uani 1 1 d . . . . .
H31 H 0.369315 0.921447 0.217018 0.052 Uiso 1 1 calc R U . . .
C32 C 0.4219(7) 0.9720(3) 0.0960(5) 0.0569(16) Uani 1 1 d . . . . .
H32A H 0.480128 0.939773 0.081348 0.085 Uiso 1 1 calc R U . . .
H32B H 0.477094 1.002034 0.144968 0.085 Uiso 1 1 calc R U . . .
H32C H 0.374542 0.991124 0.026149 0.085 Uiso 1 1 calc R U . . .
C33 C 0.2439(8) 0.9962(3) 0.1935(6) 0.0642(18) Uani 1 1 d . . . . .
H33A H 0.306999 1.018069 0.253118 0.096 Uiso 1 1 calc R U . . .
H33B H 0.171402 0.979004 0.221381 0.096 Uiso 1 1 calc R U . . .
H33C H 0.205242 1.023993 0.132600 0.096 Uiso 1 1 calc R U . . .
C34 C 0.1158(5) 0.7380(2) 0.0289(4) 0.0360(11) Uani 1 1 d . . . . .
H34 H 0.208627 0.720823 0.056008 0.043 Uiso 1 1 calc R U . . .
C35 C 0.0432(7) 0.7295(3) 0.1198(4) 0.0468(13) Uani 1 1 d . . . . .
H35A H 0.098995 0.745743 0.189581 0.070 Uiso 1 1 calc R U . . .
H35B H 0.027359 0.686476 0.128643 0.070 Uiso 1 1 calc R U . . .
H35C H -0.043362 0.750778 0.099349 0.070 Uiso 1 1 calc R U . . .
C36 C 0.0413(6) 0.7024(3) -0.0740(4) 0.0479(14) Uani 1 1 d . . . . .
H36A H -0.052737 0.715902 -0.097899 0.072 Uiso 1 1 calc R U . . .
H36B H 0.043930 0.659385 -0.056289 0.072 Uiso 1 1 calc R U . . .
H36C H 0.085014 0.709275 -0.133639 0.072 Uiso 1 1 calc R U . . .
P1 P 0.3723(4) 0.66280(12) 0.2283(2) 0.0336(6) Uani 0.5 1 d . . P A -1
C2 C 0.6224(10) 0.6023(4) 0.2873(6) 0.031(2) Uani 0.5 1 d . . P A -1
C3 C 0.5711(11) 0.5581(4) 0.1891(8) 0.039(2) Uani 0.5 1 d . . P A -1
H3A H 0.473989 0.550153 0.179616 0.047 Uiso 0.5 1 calc R U P A -1
H3B H 0.581476 0.577134 0.120360 0.047 Uiso 0.5 1 calc R U P A -1
C4 C 0.6479(14) 0.4988(5) 0.2074(9) 0.048(3) Uani 0.5 1 d . . P A -1
H4 H 0.614290 0.472274 0.141338 0.058 Uiso 0.5 1 calc R U P A -1
C5 C 0.6204(15) 0.4690(5) 0.3080(10) 0.052(3) Uani 0.5 1 d . . P A -1
H5A H 0.665592 0.429273 0.320160 0.063 Uiso 0.5 1 calc R U P A -1
H5B H 0.522220 0.462448 0.295124 0.063 Uiso 0.5 1 calc R U P A -1
C6 C 0.6724(14) 0.5086(5) 0.4111(8) 0.049(3) Uani 0.5 1 d . . P A -1
H6 H 0.653313 0.488528 0.476772 0.059 Uiso 0.5 1 calc R U P A -1
C7 C 0.5974(12) 0.5691(5) 0.3895(8) 0.042(2) Uani 0.5 1 d . . P A -1
H7A H 0.627731 0.595137 0.455577 0.051 Uiso 0.5 1 calc R U P A -1
H7B H 0.499467 0.561980 0.377201 0.051 Uiso 0.5 1 calc R U P A -1
C8 C 0.7734(10) 0.6104(5) 0.3077(8) 0.038(2) Uani 0.5 1 d . . P A -1
H8A H 0.807147 0.637112 0.372382 0.046 Uiso 0.5 1 calc R U P A -1
H8B H 0.792744 0.629995 0.242586 0.046 Uiso 0.5 1 calc R U P A -1
C9 C 0.8486(12) 0.5482(5) 0.3296(9) 0.047(3) Uani 0.5 1 d . . P A -1
H9 H 0.947754 0.554685 0.341967 0.056 Uiso 0.5 1 calc R U P A -1
C10 C 0.7954(12) 0.5075(5) 0.2274(9) 0.045(2) Uani 0.5 1 d . . P A -1
H10A H 0.815019 0.526366 0.161774 0.054 Uiso 0.5 1 calc R U P A -1
H10B H 0.841631 0.468032 0.239966 0.054 Uiso 0.5 1 calc R U P A -1
C11 C 0.8213(13) 0.5179(5) 0.4312(9) 0.051(3) Uani 0.5 1 d . . P A -1
H11A H 0.868551 0.478680 0.444709 0.061 Uiso 0.5 1 calc R U P A -1
H11B H 0.855384 0.543594 0.497233 0.061 Uiso 0.5 1 calc R U P A -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr1 Cr1 1.8054(13) 2_655 ?
Cr1 N1 2.044(4) . ?
Cr1 N2 2.038(4) 2_655 ?
Cr1 C1 2.388(9) 2_655 ?
Cr1 C1 2.117(8) . ?
Cr1 P1 2.674(3) . ?
N1 C12 1.364(5) . ?
N1 C16 1.369(5) . ?
N2 C16 1.364(6) . ?
N2 C25 1.435(5) . ?
C1 C1 0.97(3) 2_655 ?
C1 P1 1.731(16) . ?
C1 C2 1.494(14) . ?
C12 C13 1.369(7) . ?
C12 C17 1.491(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.408(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.368(6) . ?
C15 H15 0.9500 . ?
C15 C16 1.403(7) . ?
C17 C18 1.394(7) . ?
C17 C22 1.427(6) . ?
C18 C19 1.393(7) . ?
C18 C23 1.508(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.397(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.367(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.398(7) . ?
C22 C24 1.477(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.393(7) . ?
C25 C30 1.423(6) . ?
C26 C27 1.405(7) . ?
C26 C31 1.516(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.366(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.374(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.405(6) . ?
C30 C34 1.505(7) . ?
C31 H31 1.0000 . ?
C31 C32 1.530(8) . ?
C31 C33 1.536(9) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34 1.0000 . ?
C34 C35 1.529(7) . ?
C34 C36 1.535(6) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C2 C3 1.552(12) . ?
C2 C7 1.556(13) . ?
C2 C8 1.516(14) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.522(16) . ?
C4 H4 1.0000 . ?
C4 C5 1.515(17) . ?
C4 C10 1.483(18) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.538(15) . ?
C6 H6 1.0000 . ?
C6 C7 1.538(16) . ?
C6 C11 1.498(19) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.571(15) . ?
C9 H9 1.0000 . ?
C9 C10 1.545(14) . ?
C9 C11 1.531(17) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cr1 Cr1 N1 96.25(10) 2_655 . ?
Cr1 Cr1 N2 97.03(10) 2_655 2_655 ?
Cr1 Cr1 C1 74.5(3) 2_655 . ?
Cr1 Cr1 C1 58.7(2) 2_655 2_655 ?
Cr1 Cr1 P1 58.42(6) 2_655 . ?
N1 Cr1 C1 132.4(4) . . ?
N1 Cr1 C1 112.6(3) . 2_655 ?
N1 Cr1 P1 94.73(13) . . ?
N2 Cr1 N1 104.13(15) 2_655 . ?
N2 Cr1 C1 137.2(3) 2_655 2_655 ?
N2 Cr1 C1 123.2(4) 2_655 . ?
N2 Cr1 P1 150.85(12) 2_655 . ?
C1 Cr1 C1 23.9(6) . 2_655 ?
C1 Cr1 P1 40.3(4) . . ?
C1 Cr1 P1 17.9(3) 2_655 . ?
C12 N1 Cr1 124.2(3) . . ?
C12 N1 C16 120.3(4) . . ?
C16 N1 Cr1 115.3(3) . . ?
C16 N2 Cr1 114.9(3) . 2_655 ?
C16 N2 C25 117.5(4) . . ?
C25 N2 Cr1 127.5(3) . 2_655 ?
Cr1 C1 Cr1 46.77(18) . 2_655 ?
C1 C1 Cr1 93.9(6) 2_655 . ?
C1 C1 Cr1 62.2(4) 2_655 2_655 ?
C1 C1 P1 15.4(9) 2_655 . ?
C1 C1 C2 118.5(6) 2_655 . ?
P1 C1 Cr1 87.5(5) . . ?
P1 C1 Cr1 66.1(3) . 2_655 ?
C2 C1 Cr1 146.9(8) . . ?
C2 C1 Cr1 155.0(7) . 2_655 ?
C2 C1 P1 121.9(7) . . ?
N1 C12 C13 121.8(4) . . ?
N1 C12 C17 114.5(4) . . ?
C13 C12 C17 123.4(4) . . ?
C12 C13 H13 120.8 . . ?
C12 C13 C14 118.5(4) . . ?
C14 C13 H13 120.8 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.9(5) . . ?
C15 C14 H14 120.1 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(4) . . ?
C16 C15 H15 119.9 . . ?
N1 C16 C15 119.2(4) . . ?
N2 C16 N1 114.9(4) . . ?
N2 C16 C15 125.9(4) . . ?
C18 C17 C12 118.5(4) . . ?
C18 C17 C22 120.8(4) . . ?
C22 C17 C12 120.6(4) . . ?
C17 C18 C23 121.4(4) . . ?
C19 C18 C17 119.3(4) . . ?
C19 C18 C23 119.0(4) . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.3(5) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(5) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 118.9 . . ?
C20 C21 C22 122.2(5) . . ?
C22 C21 H21 118.9 . . ?
C17 C22 C24 122.0(4) . . ?
C21 C22 C17 117.2(5) . . ?
C21 C22 C24 120.7(4) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 N2 121.2(4) . . ?
C26 C25 C30 120.3(4) . . ?
C30 C25 N2 118.5(4) . . ?
C25 C26 C27 119.0(5) . . ?
C25 C26 C31 123.8(4) . . ?
C27 C26 C31 117.2(5) . . ?
C26 C27 H27 119.2 . . ?
C28 C27 C26 121.5(5) . . ?
C28 C27 H27 119.2 . . ?
C27 C28 H28 120.2 . . ?
C27 C28 C29 119.5(5) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.0 . . ?
C28 C29 C30 122.0(5) . . ?
C30 C29 H29 119.0 . . ?
C25 C30 C34 121.6(4) . . ?
C29 C30 C25 117.6(5) . . ?
C29 C30 C34 120.7(4) . . ?
C26 C31 H31 107.9 . . ?
C26 C31 C32 111.1(4) . . ?
C26 C31 C33 111.8(5) . . ?
C32 C31 H31 107.9 . . ?
C32 C31 C33 110.0(5) . . ?
C33 C31 H31 107.9 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C34 H34 108.0 . . ?
C30 C34 C35 108.6(4) . . ?
C30 C34 C36 114.8(4) . . ?
C35 C34 H34 108.0 . . ?
C35 C34 C36 109.2(5) . . ?
C36 C34 H34 108.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C1 P1 Cr1 52.3(3) . . ?
C1 C2 C3 112.7(8) . . ?
C1 C2 C7 108.7(8) . . ?
C1 C2 C8 113.2(9) . . ?
C3 C2 C7 105.0(8) . . ?
C8 C2 C3 109.2(8) . . ?
C8 C2 C7 107.5(8) . . ?
C2 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 C2 111.9(9) . . ?
C4 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C3 C4 H4 109.4 . . ?
C5 C4 C3 107.5(10) . . ?
C5 C4 H4 109.4 . . ?
C10 C4 C3 112.2(9) . . ?
C10 C4 H4 109.4 . . ?
C10 C4 C5 108.8(10) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 C6 110.5(9) . . ?
H5A C5 H5B 108.1 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
C5 C6 H6 109.7 . . ?
C7 C6 C5 107.7(9) . . ?
C7 C6 H6 109.7 . . ?
C11 C6 C5 109.5(11) . . ?
C11 C6 H6 109.7 . . ?
C11 C6 C7 110.6(10) . . ?
C2 C7 H7A 109.2 . . ?
C2 C7 H7B 109.2 . . ?
C6 C7 C2 112.0(9) . . ?
C6 C7 H7A 109.2 . . ?
C6 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
C2 C8 H8A 109.4 . . ?
C2 C8 H8B 109.4 . . ?
C2 C8 C9 111.0(9) . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 H8A 109.4 . . ?
C9 C8 H8B 109.4 . . ?
C8 C9 H9 109.6 . . ?
C10 C9 C8 108.6(8) . . ?
C10 C9 H9 109.6 . . ?
C11 C9 C8 110.0(10) . . ?
C11 C9 H9 109.6 . . ?
C11 C9 C10 109.3(10) . . ?
C4 C10 C9 109.9(10) . . ?
C4 C10 H10A 109.7 . . ?
C4 C10 H10B 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C6 C11 C9 108.9(8) . . ?
C6 C11 H11A 109.9 . . ?
C6 C11 H11B 109.9 . . ?
C9 C11 H11A 109.9 . . ?
C9 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cr1 N1 C12 C13 -179.0(3) . . . . ?
Cr1 N1 C12 C17 -5.1(5) . . . . ?
Cr1 N1 C16 N2 0.7(5) . . . . ?
Cr1 N1 C16 C15 178.0(3) . . . . ?
Cr1 N2 C16 N1 7.7(5) 2_655 . . . ?
Cr1 N2 C16 C15 -169.4(4) 2_655 . . . ?
Cr1 N2 C25 C26 -117.7(4) 2_655 . . . ?
Cr1 N2 C25 C30 62.2(5) 2_655 . . . ?
Cr1 C1 P1 Cr1 -43.11(17) 2_655 . . . ?
Cr1 C1 C2 C3 -56(2) 2_655 . . . ?
Cr1 C1 C2 C3 -164.5(11) . . . . ?
Cr1 C1 C2 C7 79.4(16) . . . . ?
Cr1 C1 C2 C7 -171.9(16) 2_655 . . . ?
Cr1 C1 C2 C8 69(2) 2_655 . . . ?
Cr1 C1 C2 C8 -40.0(16) . . . . ?
N1 C12 C13 C14 1.7(7) . . . . ?
N1 C12 C17 C18 -74.0(6) . . . . ?
N1 C12 C17 C22 106.9(5) . . . . ?
N2 C25 C26 C27 178.8(4) . . . . ?
N2 C25 C26 C31 1.0(7) . . . . ?
N2 C25 C30 C29 -177.0(4) . . . . ?
N2 C25 C30 C34 6.4(7) . . . . ?
C1 C1 P1 Cr1 -114.7(12) 2_655 . . . ?
C1 C1 C2 C3 28.7(19) 2_655 . . . ?
C1 C1 C2 C7 -87.3(17) 2_655 . . . ?
C1 C1 C2 C8 153.3(15) 2_655 . . . ?
C1 C2 C3 C4 -178.9(9) . . . . ?
C1 C2 C7 C6 -179.9(9) . . . . ?
C1 C2 C8 C9 177.0(8) . . . . ?
C12 N1 C16 N2 -174.8(4) . . . . ?
C12 N1 C16 C15 2.5(6) . . . . ?
C12 C13 C14 C15 1.8(7) . . . . ?
C12 C17 C18 C19 175.5(5) . . . . ?
C12 C17 C18 C23 -9.8(7) . . . . ?
C12 C17 C22 C21 -177.1(4) . . . . ?
C12 C17 C22 C24 4.7(7) . . . . ?
C13 C12 C17 C18 99.8(5) . . . . ?
C13 C12 C17 C22 -79.3(6) . . . . ?
C13 C14 C15 C16 -3.2(7) . . . . ?
C14 C15 C16 N1 1.0(7) . . . . ?
C14 C15 C16 N2 178.0(4) . . . . ?
C16 N1 C12 C13 -3.9(6) . . . . ?
C16 N1 C12 C17 170.0(4) . . . . ?
C16 N2 C25 C26 65.4(6) . . . . ?
C16 N2 C25 C30 -114.7(5) . . . . ?
C17 C12 C13 C14 -171.7(4) . . . . ?
C17 C18 C19 C20 2.8(8) . . . . ?
C18 C17 C22 C21 3.7(7) . . . . ?
C18 C17 C22 C24 -174.5(5) . . . . ?
C18 C19 C20 C21 1.1(9) . . . . ?
C19 C20 C21 C22 -2.7(9) . . . . ?
C20 C21 C22 C17 0.3(8) . . . . ?
C20 C21 C22 C24 178.5(5) . . . . ?
C22 C17 C18 C19 -5.3(7) . . . . ?
C22 C17 C18 C23 169.4(4) . . . . ?
C23 C18 C19 C20 -172.0(5) . . . . ?
C25 N2 C16 N1 -175.0(4) . . . . ?
C25 N2 C16 C15 7.9(7) . . . . ?
C25 C26 C27 C28 -0.4(8) . . . . ?
C25 C26 C31 C32 110.2(6) . . . . ?
C25 C26 C31 C33 -126.4(6) . . . . ?
C25 C30 C34 C35 72.9(6) . . . . ?
C25 C30 C34 C36 -164.6(5) . . . . ?
C26 C25 C30 C29 2.9(7) . . . . ?
C26 C25 C30 C34 -173.7(4) . . . . ?
C26 C27 C28 C29 0.0(9) . . . . ?
C27 C26 C31 C32 -67.6(6) . . . . ?
C27 C26 C31 C33 55.7(6) . . . . ?
C27 C28 C29 C30 1.9(8) . . . . ?
C28 C29 C30 C25 -3.4(7) . . . . ?
C28 C29 C30 C34 173.3(5) . . . . ?
C29 C30 C34 C35 -103.7(5) . . . . ?
C29 C30 C34 C36 18.9(7) . . . . ?
C30 C25 C26 C27 -1.1(7) . . . . ?
C30 C25 C26 C31 -179.0(4) . . . . ?
C31 C26 C27 C28 177.6(5) . . . . ?
P1 C1 C2 C3 46.2(11) . . . . ?
P1 C1 C2 C7 -69.9(9) . . . . ?
P1 C1 C2 C8 170.7(7) . . . . ?
C2 C1 P1 Cr1 163.8(9) . . . . ?
C2 C3 C4 C5 63.3(12) . . . . ?
C2 C3 C4 C10 -56.3(12) . . . . ?
C2 C8 C9 C10 59.6(12) . . . . ?
C2 C8 C9 C11 -60.0(11) . . . . ?
C3 C2 C7 C6 59.2(11) . . . . ?
C3 C2 C8 C9 -56.6(10) . . . . ?
C3 C4 C5 C6 -61.8(14) . . . . ?
C3 C4 C10 C9 58.5(12) . . . . ?
C4 C5 C6 C7 60.5(14) . . . . ?
C4 C5 C6 C11 -59.9(13) . . . . ?
C5 C4 C10 C9 -60.3(12) . . . . ?
C5 C6 C7 C2 -60.2(13) . . . . ?
C5 C6 C11 C9 59.2(12) . . . . ?
C7 C2 C3 C4 -60.7(11) . . . . ?
C7 C2 C8 C9 56.9(10) . . . . ?
C7 C6 C11 C9 -59.3(11) . . . . ?
C8 C2 C3 C4 54.3(11) . . . . ?
C8 C2 C7 C6 -57.0(11) . . . . ?
C8 C9 C10 C4 -59.1(12) . . . . ?
C8 C9 C11 C6 59.4(12) . . . . ?
C10 C4 C5 C6 59.9(13) . . . . ?
C10 C9 C11 C6 -59.8(12) . . . . ?
C11 C6 C7 C2 59.4(11) . . . . ?
C11 C9 C10 C4 60.9(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
