#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:07:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178636 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/47/4074793.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4074793
loop_
_publ_author_name
'Jabri, Amir'
'Crewdson, Patrick'
'Gambarotta, Sandro'
'Korobkov, Ilia'
'Duchateau, Robbert'
_publ_section_title
;
 Isolation of a Cationic Chromium(II) Species in a Catalytic System for
 Ethylene Tri- and Tetramerization
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              715
_journal_paper_doi               10.1021/om050886l
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C69.16 H89.73 Al2 Cl1.34 Cr N2 P4'
_chemical_formula_weight         1226.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.191(3)
_cell_angle_beta                 106.453(3)
_cell_angle_gamma                91.839(3)
_cell_formula_units_Z            2
_cell_length_a                   12.366(2)
_cell_length_b                   16.214(3)
_cell_length_c                   21.347(4)
_cell_measurement_reflns_used    216
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      20.82
_cell_measurement_theta_min      1.71
_cell_volume                     4072.1(13)
_computing_cell_refinement       'SMART, Bruker (2000)'
_computing_data_collection       'SMART, Bruker (2000)'
_computing_data_reduction        'XPREP, Bruker (2000)'
_computing_molecular_graphics    'SHELXTL, Bruker (2000)'
_computing_publication_material  'SHELXTL, Bruker (2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.0546
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25461
_diffrn_reflns_theta_full        20.82
_diffrn_reflns_theta_max         20.82
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.318
_exptl_absorpt_correction_T_max  0.9843
_exptl_absorpt_correction_T_min  0.9539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    0.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1294
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.138
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         8155
_refine_ls_number_restraints     494
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1463P)²+4.0330P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2015
_refine_ls_wR_factor_ref         0.2229
_reflns_number_gt                6068
_reflns_number_total             8155
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050886lsi20051014_010515.cif
_cod_data_source_block           sg2380
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        4072.0(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4074793
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl2 Cl 0.7535(7) 0.7756(6) 0.3539(5) 0.040(3) Uiso 0.20 1 d PU A 1
Al2' Al 0.8706(5) 0.6885(4) 0.3229(3) 0.0653(17) Uani 0.38 1 d P A 1
C75' C 1.036(3) 0.724(2) 0.3923(16) 0.137(11) Uiso 0.38 1 d P A 1
H75A H 1.0913 0.6893 0.3813 0.205 Uiso 0.38 1 calc PR A 1
H75B H 1.0330 0.7179 0.4365 0.205 Uiso 0.38 1 calc PR A 1
H75C H 1.0562 0.7820 0.3901 0.205 Uiso 0.38 1 calc PR A 1
C76' C 0.843(3) 0.7229(19) 0.2402(14) 0.118(9) Uiso 0.38 1 d P A 1
H76A H 0.8875 0.6922 0.2159 0.177 Uiso 0.38 1 calc PR A 1
H76B H 0.8643 0.7819 0.2447 0.177 Uiso 0.38 1 calc PR A 1
H76C H 0.7636 0.7128 0.2168 0.177 Uiso 0.38 1 calc PR A 1
C77' C 0.832(3) 0.5770(18) 0.3312(14) 0.059(9) Uiso 0.31 1 d PU A 1
H77A H 0.8838 0.5408 0.3172 0.088 Uiso 0.31 1 calc PR A 1
H77B H 0.7554 0.5613 0.3038 0.088 Uiso 0.31 1 calc PR A 1
H77C H 0.8367 0.5720 0.3768 0.088 Uiso 0.31 1 calc PR A 1
C74 C 0.7441(7) 0.7678(5) 0.3733(4) 0.028(3) Uiso 0.80 1 d PU B 2
H74A H 0.6972 0.7438 0.3972 0.042 Uiso 0.80 1 calc PR B 2
H74B H 0.8020 0.7303 0.3693 0.042 Uiso 0.80 1 calc PR B 2
H74C H 0.6976 0.7761 0.3298 0.042 Uiso 0.80 1 calc PR B 2
Al2 Al 0.8270(3) 0.8921(2) 0.42888(14) 0.0607(11) Uani 0.62 1 d P B 2
C75 C 0.8814(13) 0.8485(10) 0.5130(8) 0.097(5) Uiso 0.62 1 d P B 2
H75D H 0.9209 0.8930 0.5466 0.146 Uiso 0.62 1 calc PR B 2
H75E H 0.9326 0.8053 0.5093 0.146 Uiso 0.62 1 calc PR B 2
H75F H 0.8178 0.8253 0.5250 0.146 Uiso 0.62 1 calc PR B 2
C76 C 0.6916(13) 0.9613(10) 0.4227(8) 0.099(5) Uiso 0.62 1 d P B 2
H76D H 0.7168 1.0169 0.4450 0.148 Uiso 0.62 1 calc PR B 2
H76E H 0.6408 0.9357 0.4434 0.148 Uiso 0.62 1 calc PR B 2
H76F H 0.6523 0.9644 0.3768 0.148 Uiso 0.62 1 calc PR B 2
C77 C 0.9049(9) 0.8967(8) 0.3496(6) 0.034(3) Uiso 0.55 1 d PU B 2
H77D H 0.9514 0.9481 0.3570 0.051 Uiso 0.55 1 calc PR B 2
H77E H 0.8464 0.8941 0.3080 0.051 Uiso 0.55 1 calc PR B 2
H77F H 0.9514 0.8498 0.3485 0.051 Uiso 0.55 1 calc PR B 2
Cl3' Cl 0.791(4) 0.564(3) 0.328(2) 0.101(15) Uiso 0.07 1 d PU C 3
Cl3 Cl 0.913(2) 0.9338(19) 0.3751(14) 0.059(7) Uiso 0.07 1 d PU D 4
Cr1 Cr 0.65428(7) 0.73755(6) 0.78119(4) 0.0338(3) Uani 1 1 d . . .
Cl1 Cl 0.69899(14) 0.66412(11) 0.87435(8) 0.0555(5) Uani 1 1 d . . .
P1 P 0.64777(13) 0.89400(10) 0.79165(8) 0.0396(5) Uani 1 1 d . . .
P2 P 0.46939(12) 0.78682(10) 0.78882(8) 0.0368(4) Uani 1 1 d . . .
P3 P 0.82128(13) 0.70251(10) 0.74374(8) 0.0372(4) Uani 1 1 d . . .
P4 P 0.60439(13) 0.66780(10) 0.66547(7) 0.0348(4) Uani 1 1 d . . .
N1 N 0.5115(4) 0.8894(3) 0.7951(2) 0.0371(12) Uani 1 1 d . . .
N2 N 0.7424(4) 0.6605(3) 0.6671(2) 0.0374(12) Uani 1 1 d . . .
Al1 Al 0.84735(19) 0.66982(17) 0.97774(10) 0.0686(7) Uani 1 1 d . . .
C1 C 0.7757(6) 0.9211(5) 0.9202(4) 0.0627(19) Uani 1 1 d U . .
H1A H 0.7646 0.8632 0.9186 0.075 Uiso 1 1 calc R . .
C2 C 0.8362(7) 0.9678(6) 0.9784(4) 0.085(3) Uani 1 1 d U . .
H2A H 0.8658 0.9414 1.0162 0.103 Uiso 1 1 calc R . .
C3 C 0.8533(7) 1.0512(6) 0.9816(5) 0.088(3) Uani 1 1 d U . .
H3A H 0.8945 1.0821 1.0215 0.105 Uiso 1 1 calc R . .
C4 C 0.8115(7) 1.0907(5) 0.9274(5) 0.083(2) Uani 1 1 d U . .
H4A H 0.8235 1.1487 0.9297 0.099 Uiso 1 1 calc R . .
C5 C 0.7504(6) 1.0440(4) 0.8685(4) 0.0645(19) Uani 1 1 d U . .
H5A H 0.7220 1.0711 0.8310 0.077 Uiso 1 1 calc R . .
C6 C 0.7309(5) 0.9597(4) 0.8638(3) 0.0482(16) Uani 1 1 d U . .
C7 C 0.7593(7) 0.9821(5) 0.7215(5) 0.078(2) Uani 1 1 d U . .
H7A H 0.8227 0.9847 0.7586 0.093 Uiso 1 1 calc R . .
C8 C 0.7666(10) 1.0143(7) 0.6649(6) 0.109(3) Uani 1 1 d U . .
H8A H 0.8363 1.0388 0.6644 0.131 Uiso 1 1 calc R . .
C9 C 0.6786(13) 1.0117(7) 0.6112(6) 0.117(4) Uani 1 1 d U . .
H9A H 0.6854 1.0367 0.5746 0.140 Uiso 1 1 calc R . .
C10 C 0.5752(11) 0.9712(6) 0.6097(5) 0.104(3) Uani 1 1 d U . .
H10A H 0.5138 0.9653 0.5713 0.125 Uiso 1 1 calc R . .
C11 C 0.5663(8) 0.9409(5) 0.6652(4) 0.077(2) Uani 1 1 d U . .
H11A H 0.4970 0.9154 0.6653 0.092 Uiso 1 1 calc R . .
C12 C 0.6579(6) 0.9468(4) 0.7219(4) 0.0572(17) Uani 1 1 d U . .
C13 C 0.4436(5) 0.9575(4) 0.8148(3) 0.0459(16) Uani 1 1 d U . .
H13A H 0.3651 0.9329 0.8027 0.055 Uiso 1 1 calc R . .
C14 C 0.4756(6) 0.9828(4) 0.8880(3) 0.0503(16) Uani 1 1 d U . .
H14A H 0.5524 1.0092 0.9033 0.060 Uiso 1 1 calc R . .
H14B H 0.4738 0.9337 0.9107 0.060 Uiso 1 1 calc R . .
C15 C 0.3906(8) 1.0448(5) 0.9037(4) 0.078(2) Uani 1 1 d U . .
H15A H 0.3154 1.0162 0.8928 0.093 Uiso 1 1 calc R . .
H15B H 0.4142 1.0648 0.9508 0.093 Uiso 1 1 calc R . .
C16 C 0.3853(8) 1.1175(5) 0.8648(4) 0.085(2) Uani 1 1 d U . .
H16A H 0.3285 1.1542 0.8737 0.101 Uiso 1 1 calc R . .
H16B H 0.4586 1.1493 0.8791 0.101 Uiso 1 1 calc R . .
C17 C 0.3565(7) 1.0909(5) 0.7940(4) 0.069(2) Uani 1 1 d U . .
H17A H 0.3563 1.1400 0.7708 0.083 Uiso 1 1 calc R . .
H17B H 0.2801 1.0637 0.7789 0.083 Uiso 1 1 calc R . .
C18 C 0.4382(6) 1.0316(4) 0.7762(3) 0.0531(17) Uani 1 1 d U . .
H18A H 0.4130 1.0125 0.7289 0.064 Uiso 1 1 calc R . .
H18B H 0.5135 1.0600 0.7867 0.064 Uiso 1 1 calc R . .
C19 C 0.4847(6) 0.7659(4) 0.9183(3) 0.0524(17) Uani 1 1 d U . .
H19A H 0.5625 0.7635 0.9230 0.063 Uiso 1 1 calc R . .
C20 C 0.4443(6) 0.7611(5) 0.9720(3) 0.0619(19) Uani 1 1 d U . .
H20A H 0.4939 0.7567 1.0138 0.074 Uiso 1 1 calc R . .
C21 C 0.3288(7) 0.7628(5) 0.9627(4) 0.071(2) Uani 1 1 d U . .
H21A H 0.3003 0.7588 0.9987 0.085 Uiso 1 1 calc R . .
C22 C 0.2581(6) 0.7699(5) 0.9047(4) 0.071(2) Uani 1 1 d U . .
H22A H 0.1801 0.7694 0.8997 0.085 Uiso 1 1 calc R . .
C23 C 0.2975(5) 0.7782(5) 0.8511(3) 0.0561(18) Uani 1 1 d U . .
H23A H 0.2467 0.7864 0.8106 0.067 Uiso 1 1 calc R . .
C24 C 0.4096(5) 0.7745(4) 0.8568(3) 0.0398(14) Uani 1 1 d U . .
C25 C 0.3044(6) 0.6783(5) 0.7038(3) 0.0558(17) Uani 1 1 d U . .
H25A H 0.3391 0.6384 0.7304 0.067 Uiso 1 1 calc R . .
C26 C 0.2092(7) 0.6555(5) 0.6498(4) 0.070(2) Uani 1 1 d U . .
H26A H 0.1788 0.6001 0.6406 0.084 Uiso 1 1 calc R . .
C27 C 0.1609(6) 0.7128(6) 0.6110(4) 0.077(2) Uani 1 1 d U . .
H27A H 0.0968 0.6967 0.5751 0.093 Uiso 1 1 calc R . .
C28 C 0.2037(6) 0.7943(6) 0.6228(4) 0.074(2) Uani 1 1 d U . .
H28A H 0.1710 0.8331 0.5945 0.088 Uiso 1 1 calc R . .
C29 C 0.2955(6) 0.8180(5) 0.6770(3) 0.0603(19) Uani 1 1 d U . .
H29A H 0.3232 0.8740 0.6862 0.072 Uiso 1 1 calc R . .
C30 C 0.3476(5) 0.7620(4) 0.7177(3) 0.0436(15) Uani 1 1 d U . .
C31 C 0.9306(6) 0.8231(4) 0.6901(4) 0.0619(19) Uani 1 1 d U . .
H31A H 0.8945 0.7965 0.6475 0.074 Uiso 1 1 calc R . .
C32 C 1.0044(7) 0.8939(5) 0.6993(5) 0.079(2) Uani 1 1 d U . .
H32A H 1.0197 0.9141 0.6628 0.095 Uiso 1 1 calc R . .
C33 C 1.0543(7) 0.9336(5) 0.7615(5) 0.084(2) Uani 1 1 d U . .
H33A H 1.1048 0.9804 0.7676 0.100 Uiso 1 1 calc R . .
C34 C 1.0318(8) 0.9069(6) 0.8120(5) 0.094(3) Uani 1 1 d U . .
H34A H 1.0641 0.9363 0.8540 0.113 Uiso 1 1 calc R . .
C35 C 0.9605(7) 0.8353(5) 0.8056(4) 0.070(2) Uani 1 1 d U . .
H35A H 0.9462 0.8165 0.8428 0.084 Uiso 1 1 calc R . .
C36 C 0.9120(5) 0.7932(4) 0.7441(3) 0.0434(15) Uani 1 1 d U . .
C37 C 1.0333(6) 0.6361(5) 0.7776(3) 0.0566(18) Uani 1 1 d U . .
H37A H 1.0601 0.6826 0.7623 0.068 Uiso 1 1 calc R . .
C38 C 1.1053(7) 0.5759(6) 0.8008(4) 0.079(2) Uani 1 1 d U . .
H38A H 1.1809 0.5810 0.8003 0.095 Uiso 1 1 calc R . .
C39 C 1.0680(7) 0.5085(6) 0.8247(4) 0.081(2) Uani 1 1 d U . .
H39A H 1.1179 0.4682 0.8411 0.098 Uiso 1 1 calc R . .
C40 C 0.9557(7) 0.5009(5) 0.8244(4) 0.073(2) Uani 1 1 d U . .
H40A H 0.9292 0.4548 0.8404 0.087 Uiso 1 1 calc R . .
C41 C 0.8830(6) 0.5602(4) 0.8009(3) 0.0556(17) Uani 1 1 d U . .
H41A H 0.8072 0.5549 0.8012 0.067 Uiso 1 1 calc R . .
C42 C 0.9211(5) 0.6274(4) 0.7770(3) 0.0424(15) Uani 1 1 d U . .
C43 C 0.7735(6) 0.6056(4) 0.6154(3) 0.0543(17) Uani 1 1 d U . .
H43A H 0.7043 0.5994 0.5775 0.065 Uiso 1 1 calc R . .
C44 C 0.8619(7) 0.6377(6) 0.5886(4) 0.076(2) Uani 1 1 d U . .
H44A H 0.9357 0.6390 0.6216 0.091 Uiso 1 1 calc R . .
H44B H 0.8476 0.6948 0.5789 0.091 Uiso 1 1 calc R . .
C45 C 0.8646(8) 0.5838(6) 0.5260(5) 0.096(3) Uani 1 1 d U . .
H45A H 0.9268 0.6041 0.5106 0.116 Uiso 1 1 calc R . .
H45B H 0.7937 0.5866 0.4914 0.116 Uiso 1 1 calc R . .
C46 C 0.8805(8) 0.4937(7) 0.5406(5) 0.108(3) Uani 1 1 d U . .
H46A H 0.8756 0.4585 0.4994 0.130 Uiso 1 1 calc R . .
H46B H 0.9563 0.4906 0.5705 0.130 Uiso 1 1 calc R . .
C47 C 0.7966(8) 0.4610(6) 0.5702(4) 0.083(2) Uani 1 1 d U . .
H47A H 0.8144 0.4050 0.5813 0.100 Uiso 1 1 calc R . .
H47B H 0.7213 0.4574 0.5384 0.100 Uiso 1 1 calc R . .
C48 C 0.7971(7) 0.5158(4) 0.6300(4) 0.0646(19) Uani 1 1 d U . .
H48A H 0.7395 0.4942 0.6485 0.077 Uiso 1 1 calc R . .
H48B H 0.8709 0.5158 0.6628 0.077 Uiso 1 1 calc R . .
C49 C 0.5015(6) 0.5166(4) 0.5912(3) 0.0569(18) Uani 1 1 d U . .
H49A H 0.4958 0.5428 0.5533 0.068 Uiso 1 1 calc R . .
C50 C 0.4685(7) 0.4326(5) 0.5844(4) 0.073(2) Uani 1 1 d U . .
H50A H 0.4434 0.4019 0.5424 0.088 Uiso 1 1 calc R . .
C51 C 0.4727(8) 0.3955(5) 0.6385(5) 0.088(3) Uani 1 1 d U . .
H51A H 0.4486 0.3390 0.6340 0.105 Uiso 1 1 calc R . .
C52 C 0.5135(8) 0.4413(5) 0.7030(5) 0.087(3) Uani 1 1 d U . .
H52A H 0.5180 0.4152 0.7408 0.104 Uiso 1 1 calc R . .
C53 C 0.5461(6) 0.5247(4) 0.7082(3) 0.0570(18) Uani 1 1 d U . .
H53A H 0.5708 0.5561 0.7499 0.068 Uiso 1 1 calc R . .
C54 C 0.5427(5) 0.5624(4) 0.6526(3) 0.0430(15) Uani 1 1 d U . .
C55 C 0.5994(6) 0.7591(5) 0.5616(4) 0.065(2) Uani 1 1 d U . .
H55A H 0.6781 0.7674 0.5802 0.078 Uiso 1 1 calc R . .
C56 C 0.5473(8) 0.7935(6) 0.5049(4) 0.088(3) Uani 1 1 d U . .
H56A H 0.5908 0.8227 0.4839 0.106 Uiso 1 1 calc R . .
C57 C 0.4344(8) 0.7848(5) 0.4802(4) 0.082(2) Uani 1 1 d U . .
H57A H 0.3993 0.8093 0.4423 0.099 Uiso 1 1 calc R . .
C58 C 0.3700(7) 0.7409(5) 0.5090(4) 0.070(2) Uani 1 1 d U . .
H58A H 0.2909 0.7358 0.4915 0.084 Uiso 1 1 calc R . .
C59 C 0.4226(6) 0.7039(5) 0.5647(3) 0.0615(19) Uani 1 1 d U . .
H59A H 0.3784 0.6725 0.5840 0.074 Uiso 1 1 calc R . .
C60 C 0.5359(5) 0.7122(4) 0.5915(3) 0.0396(14) Uani 1 1 d U . .
C61 C 0.9793(7) 0.7218(6) 0.9591(4) 0.085(3) Uani 1 1 d . . .
H61A H 1.0435 0.7269 0.9982 0.128 Uiso 1 1 calc R . .
H61B H 0.9621 0.7765 0.9461 0.128 Uiso 1 1 calc R . .
H61C H 0.9972 0.6875 0.9237 0.128 Uiso 1 1 calc R . .
C62 C 0.7812(9) 0.7387(8) 1.0364(4) 0.116(4) Uani 1 1 d . . .
H62A H 0.8329 0.7461 1.0806 0.174 Uiso 1 1 calc R . .
H62B H 0.7104 0.7118 1.0369 0.174 Uiso 1 1 calc R . .
H62C H 0.7675 0.7926 1.0209 0.174 Uiso 1 1 calc R . .
C63 C 0.8498(8) 0.5516(6) 0.9858(5) 0.100(3) Uani 1 1 d . . .
H63A H 0.9064 0.5427 1.0260 0.150 Uiso 1 1 calc R . .
H63B H 0.8680 0.5225 0.9484 0.150 Uiso 1 1 calc R . .
H63C H 0.7762 0.5307 0.9871 0.150 Uiso 1 1 calc R . .
C64 C 0.505(2) 0.5127(15) 0.9695(12) 0.045(6) Uiso 0.25 1 d PU . 3
C65 C 0.406(2) 0.4950(18) 0.9088(13) 0.054(7) Uiso 0.25 1 d PU E 3
H65A H 0.3844 0.4354 0.9035 0.065 Uiso 0.25 1 calc PR E 3
H65B H 0.3431 0.5245 0.9175 0.065 Uiso 0.25 1 calc PR E 3
C66 C 0.415(2) 0.5130(15) 0.8524(12) 0.043(6) Uiso 0.25 1 d PU E 3
H66A H 0.3438 0.4977 0.8187 0.064 Uiso 0.25 1 calc PR E 3
H66B H 0.4744 0.4825 0.8411 0.064 Uiso 0.25 1 calc PR E 3
H66C H 0.4330 0.5722 0.8553 0.064 Uiso 0.25 1 calc PR E 3
C67 C 0.571(2) 0.2715(15) 0.8058(11) 0.044(6) Uiso 0.25 1 d PDU F 4
H67A H 0.4923 0.2636 0.7900 0.053 Uiso 0.25 1 calc PR F 4
C68 C 0.635(2) 0.3160(17) 0.8681(14) 0.057(7) Uiso 0.25 1 d PU F 4
H68A H 0.5982 0.3394 0.8982 0.069 Uiso 0.25 1 calc PR F 4
C69 C 0.754(2) 0.3235(18) 0.8825(14) 0.055(7) Uiso 0.25 1 d PU F 4
H69A H 0.7978 0.3552 0.9215 0.066 Uiso 0.25 1 calc PR F 4
C70 C 0.797(3) 0.291(2) 0.8468(17) 0.076(9) Uiso 0.25 1 d PU F 4
H70A H 0.8760 0.2965 0.8607 0.091 Uiso 0.25 1 calc PR F 4
C71 C 0.759(2) 0.2527(18) 0.7971(14) 0.062(7) Uiso 0.25 1 d PDU F 4
H71A H 0.8072 0.2292 0.7741 0.074 Uiso 0.25 1 calc PR F 4
C72 C 0.6506(17) 0.2408(13) 0.7714(9) 0.029(5) Uiso 0.25 1 d PDU F 4
C73 C 0.596(2) 0.197(2) 0.7063(13) 0.100(12) Uiso 0.25 1 d PDU F 4
H73A H 0.6524 0.1766 0.6863 0.150 Uiso 0.25 1 calc PR F 4
H73B H 0.5504 0.2350 0.6791 0.150 Uiso 0.25 1 calc PR F 4
H73C H 0.5471 0.1508 0.7100 0.150 Uiso 0.25 1 calc PR F 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
C77' Al2' C76' 119.9(13) .
C77' Al2' C75' 107.9(13) .
C76' Al2' C75' 117.0(14) .
C77' Al2' Cl2 111.3(10) .
C76' Al2' Cl2 93.9(10) .
C75' Al2' Cl2 105.0(10) .
C75 Al2 C76 113.4(7) .
C75 Al2 C77 130.1(6) .
C76 Al2 C77 115.5(6) .
C75 Al2 C74 94.2(6) .
C76 Al2 C74 101.8(5) .
C77 Al2 C74 85.3(4) .
Cl1 Cr1 P3 96.87(6) .
Cl1 Cr1 P2 98.60(6) .
P3 Cr1 P2 164.26(7) .
Cl1 Cr1 P4 123.31(7) .
P3 Cr1 P4 66.57(5) .
P2 Cr1 P4 102.07(6) .
Cl1 Cr1 P1 122.01(7) .
P3 Cr1 P1 107.39(6) .
P2 Cr1 P1 66.39(6) .
P4 Cr1 P1 114.66(6) .
Cr1 Cl1 Al1 137.60(11) .
N1 P1 C12 110.1(3) .
N1 P1 C6 107.4(3) .
C12 P1 C6 105.5(3) .
N1 P1 Cr1 92.53(17) .
C12 P1 Cr1 118.0(2) .
C6 P1 Cr1 121.9(2) .
N1 P2 C30 109.1(3) .
N1 P2 C24 107.2(3) .
C30 P2 C24 102.1(3) .
N1 P2 Cr1 93.92(17) .
C30 P2 Cr1 118.0(2) .
C24 P2 Cr1 125.1(2) .
N2 P3 C42 107.7(3) .
N2 P3 C36 113.9(3) .
C42 P3 C36 103.2(3) .
N2 P3 Cr1 93.86(17) .
C42 P3 Cr1 125.0(2) .
C36 P3 Cr1 113.2(2) .
N2 P4 C54 106.5(3) .
N2 P4 C60 106.6(3) .
C54 P4 C60 105.2(3) .
N2 P4 Cr1 93.04(16) .
C54 P4 Cr1 115.5(2) .
C60 P4 Cr1 127.12(19) .
C13 N1 P2 122.0(4) .
C13 N1 P1 129.5(4) .
P2 N1 P1 107.2(3) .
C43 N2 P3 130.7(4) .
C43 N2 P4 120.6(4) .
P3 N2 P4 106.5(2) .
C63 Al1 C62 117.1(5) .
C63 Al1 C61 116.5(4) .
C62 Al1 C61 115.6(5) .
C63 Al1 Cl1 98.8(3) .
C62 Al1 Cl1 100.8(3) .
C61 Al1 Cl1 103.6(3) .
C6 C1 C2 120.3(7) .
C3 C2 C1 120.6(9) .
C2 C3 C4 120.7(8) .
C3 C4 C5 119.0(8) .
C6 C5 C4 121.7(8) .
C1 C6 C5 117.7(7) .
C1 C6 P1 116.7(5) .
C5 C6 P1 125.5(6) .
C12 C7 C8 118.5(9) .
C9 C8 C7 122.6(11) .
C8 C9 C10 119.4(10) .
C11 C10 C9 118.5(11) .
C12 C11 C10 121.4(9) .
C11 C12 C7 119.4(7) .
C11 C12 P1 119.9(6) .
C7 C12 P1 120.0(6) .
C18 C13 N1 113.9(5) .
C18 C13 C14 112.6(5) .
N1 C13 C14 113.3(5) .
C13 C14 C15 109.1(6) .
C16 C15 C14 110.6(6) .
C17 C16 C15 111.9(7) .
C16 C17 C18 112.6(6) .
C13 C18 C17 109.2(6) .
C24 C19 C20 119.9(6) .
C21 C20 C19 118.4(7) .
C22 C21 C20 121.8(7) .
C21 C22 C23 120.6(7) .
C22 C23 C24 120.3(7) .
C19 C24 C23 119.0(6) .
C19 C24 P2 117.7(5) .
C23 C24 P2 123.1(5) .
C30 C25 C26 119.1(7) .
C27 C26 C25 120.2(7) .
C26 C27 C28 121.4(7) .
C27 C28 C29 118.8(8) .
C30 C29 C28 121.8(7) .
C29 C30 C25 118.6(6) .
C29 C30 P2 125.0(5) .
C25 C30 P2 116.4(5) .
C36 C31 C32 119.0(7) .
C33 C32 C31 120.1(8) .
C34 C33 C32 120.2(8) .
C33 C34 C35 121.9(8) .
C36 C35 C34 118.9(8) .
C31 C36 C35 119.7(6) .
C31 C36 P3 126.4(5) .
C35 C36 P3 113.8(5) .
C42 C37 C38 119.4(7) .
C39 C38 C37 121.0(7) .
C38 C39 C40 119.1(7) .
C41 C40 C39 120.4(8) .
C40 C41 C42 120.0(7) .
C41 C42 C37 120.1(6) .
C41 C42 P3 118.6(5) .
C37 C42 P3 121.3(5) .
C44 C43 N2 117.8(6) .
C44 C43 C48 108.6(6) .
N2 C43 C48 116.0(5) .
C43 C44 C45 111.2(6) .
C44 C45 C46 109.2(8) .
C47 C46 C45 113.3(8) .
C46 C47 C48 110.1(7) .
C43 C48 C47 111.6(7) .
C50 C49 C54 121.5(7) .
C51 C50 C49 119.4(7) .
C50 C51 C52 120.7(7) .
C51 C52 C53 118.5(8) .
C54 C53 C52 120.7(7) .
C53 C54 C49 119.2(6) .
C53 C54 P4 116.9(5) .
C49 C54 P4 123.6(5) .
C56 C55 C60 120.5(7) .
C55 C56 C57 119.7(8) .
C56 C57 C58 121.1(8) .
C59 C58 C57 119.2(7) .
C60 C59 C58 121.3(7) .
C59 C60 C55 118.0(6) .
C59 C60 P4 121.7(5) .
C55 C60 P4 120.3(5) .
C65 C64 C64 119(3) 2_667
C66 C65 C64 120(2) .
C72 C67 C68 108(2) .
C69 C68 C67 118(3) .
C70 C69 C68 120(3) .
C70 C69 C71 25(2) .
C68 C69 C71 95(2) .
C71 C70 C69 131(4) .
C70 C71 C72 121(3) .
C70 C71 C69 25(2) .
C72 C71 C69 97(2) .
C67 C72 C71 122(2) .
C67 C72 C73 113.1(19) .
C71 C72 C73 125(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl2 Al2' 2.237(10) .
Al2' C77' 1.89(3) .
Al2' C76' 1.85(3) .
Al2' C75' 2.17(3) .
C74 Al2 2.278(8) .
Al2 C75 1.949(16) .
Al2 C76 2.027(16) .
Al2 C77 2.177(11) .
Cr1 Cl1 2.3682(19) .
Cr1 P3 2.4777(18) .
Cr1 P2 2.4884(18) .
Cr1 P4 2.5003(18) .
Cr1 P1 2.5282(19) .
Cl1 Al1 2.428(3) .
P1 N1 1.707(5) .
P1 C12 1.827(7) .
P1 C6 1.801(7) .
P2 N1 1.707(5) .
P2 C30 1.808(6) .
P2 C24 1.830(6) .
P3 N2 1.704(5) .
P3 C42 1.816(6) .
P3 C36 1.819(6) .
P4 N2 1.705(5) .
P4 C54 1.809(6) .
P4 C60 1.804(6) .
N1 C13 1.503(8) .
N2 C43 1.487(8) .
Al1 C63 1.943(10) .
Al1 C62 1.956(9) .
Al1 C61 1.971(9) .
C1 C6 1.399(10) .
C1 C2 1.382(11) .
C2 C3 1.353(13) .
C3 C4 1.364(13) .
C4 C5 1.396(11) .
C5 C6 1.367(10) .
C7 C12 1.364(10) .
C7 C8 1.391(13) .
C8 C9 1.334(16) .
C9 C10 1.409(16) .
C10 C11 1.361(12) .
C11 C12 1.396(11) .
C13 C18 1.521(9) .
C13 C14 1.505(9) .
C14 C15 1.555(10) .
C15 C16 1.506(12) .
C16 C17 1.464(11) .
C17 C18 1.514(10) .
C19 C24 1.401(9) .
C19 C20 1.383(9) .
C20 C21 1.386(10) .
C21 C22 1.317(11) .
C22 C23 1.382(10) .
C23 C24 1.361(9) .
C25 C30 1.411(9) .
C25 C26 1.401(10) .
C26 C27 1.353(12) .
C27 C28 1.377(12) .
C28 C29 1.380(10) .
C29 C30 1.373(10) .
C31 C36 1.372(9) .
C31 C32 1.404(10) .
C32 C33 1.373(12) .
C33 C34 1.300(13) .
C34 C35 1.405(12) .
C35 C36 1.372(9) .
C37 C42 1.385(9) .
C37 C38 1.379(11) .
C38 C39 1.373(12) .
C39 C40 1.389(11) .
C40 C41 1.375(10) .
C41 C42 1.377(9) .
C43 C44 1.475(10) .
C43 C48 1.541(10) .
C44 C45 1.525(11) .
C45 C46 1.532(15) .
C46 C47 1.472(13) .
C47 C48 1.473(10) .
C49 C50 1.390(10) .
C49 C54 1.384(9) .
C50 C51 1.348(12) .
C51 C52 1.437(12) .
C52 C53 1.382(10) .
C53 C54 1.384(9) .
C55 C56 1.385(11) .
C55 C60 1.396(9) .
C56 C57 1.341(12) .
C57 C58 1.362(12) .
C58 C59 1.391(10) .
C59 C60 1.352(9) .
C64 C65 1.50(4) .
C64 C64 1.44(5) 2_667
C65 C66 1.30(3) .
C67 C72 1.45(3) .
C67 C68 1.44(4) .
C68 C69 1.42(4) .
C69 C70 1.14(4) .
C69 C71 2.06(4) .
C70 C71 1.13(4) .
C71 C72 1.29(3) .
C72 C73 1.456(19) .
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
P3 Cr1 Cl1 Al1 63.49(14) .
P2 Cr1 Cl1 Al1 -119.46(13) .
P4 Cr1 Cl1 Al1 129.90(13) .
P1 Cr1 Cl1 Al1 -52.00(15) .
Cl1 Cr1 P1 N1 -85.02(17) .
P3 Cr1 P1 N1 164.88(16) .
P2 Cr1 P1 N1 0.34(16) .
P4 Cr1 P1 N1 93.23(17) .
Cl1 Cr1 P1 C12 160.6(3) .
P3 Cr1 P1 C12 50.6(3) .
P2 Cr1 P1 C12 -114.0(3) .
P4 Cr1 P1 C12 -21.1(3) .
Cl1 Cr1 P1 C6 27.3(3) .
P3 Cr1 P1 C6 -82.8(3) .
P2 Cr1 P1 C6 112.7(3) .
P4 Cr1 P1 C6 -154.4(2) .
Cl1 Cr1 P2 N1 120.92(17) .
P3 Cr1 P2 N1 -69.9(3) .
P4 Cr1 P2 N1 -112.20(16) .
P1 Cr1 P2 N1 -0.34(16) .
Cl1 Cr1 P2 C30 -125.0(3) .
P3 Cr1 P2 C30 44.1(4) .
P4 Cr1 P2 C30 1.9(3) .
P1 Cr1 P2 C30 113.7(3) .
Cl1 Cr1 P2 C24 6.6(3) .
P3 Cr1 P2 C24 175.8(3) .
P4 Cr1 P2 C24 133.5(2) .
P1 Cr1 P2 C24 -114.6(2) .
Cl1 Cr1 P3 N2 123.97(18) .
P2 Cr1 P3 N2 -45.2(3) .
P4 Cr1 P3 N2 0.56(17) .
P1 Cr1 P3 N2 -109.37(17) .
Cl1 Cr1 P3 C42 9.1(3) .
P2 Cr1 P3 C42 -160.0(3) .
P4 Cr1 P3 C42 -114.3(3) .
P1 Cr1 P3 C42 135.8(2) .
Cl1 Cr1 P3 C36 -118.0(2) .
P2 Cr1 P3 C36 72.8(3) .
P4 Cr1 P3 C36 118.6(2) .
P1 Cr1 P3 C36 8.7(2) .
Cl1 Cr1 P4 N2 -83.16(18) .
P3 Cr1 P4 N2 -0.56(17) .
P2 Cr1 P4 N2 167.97(17) .
P1 Cr1 P4 N2 98.61(18) .
Cl1 Cr1 P4 C54 26.8(2) .
P3 Cr1 P4 C54 109.4(2) .
P2 Cr1 P4 C54 -82.1(2) .
P1 Cr1 P4 C54 -151.5(2) .
Cl1 Cr1 P4 C60 163.3(3) .
P3 Cr1 P4 C60 -114.1(3) .
P2 Cr1 P4 C60 54.5(3) .
P1 Cr1 P4 C60 -14.9(3) .
C30 P2 N1 C13 70.9(5) .
C24 P2 N1 C13 -39.0(5) .
Cr1 P2 N1 C13 -167.7(4) .
C30 P2 N1 P1 -120.9(3) .
C24 P2 N1 P1 129.2(3) .
Cr1 P2 N1 P1 0.5(2) .
C12 P1 N1 C13 -72.4(5) .
C6 P1 N1 C13 41.9(6) .
Cr1 P1 N1 C13 166.5(5) .
C12 P1 N1 P2 120.6(3) .
C6 P1 N1 P2 -125.1(3) .
Cr1 P1 N1 P2 -0.5(2) .
C42 P3 N2 C43 -35.1(6) .
C36 P3 N2 C43 78.7(6) .
Cr1 P3 N2 C43 -163.8(5) .
C42 P3 N2 P4 127.9(3) .
C36 P3 N2 P4 -118.3(3) .
Cr1 P3 N2 P4 -0.8(2) .
C54 P4 N2 C43 48.1(5) .
C60 P4 N2 C43 -63.8(5) .
Cr1 P4 N2 C43 165.9(4) .
C54 P4 N2 P3 -117.0(3) .
C60 P4 N2 P3 131.0(3) .
Cr1 P4 N2 P3 0.8(2) .
Cr1 Cl1 Al1 C63 -146.2(3) .
Cr1 Cl1 Al1 C62 93.8(4) .
Cr1 Cl1 Al1 C61 -26.1(4) .
C6 C1 C2 C3 -0.3(13) .
C1 C2 C3 C4 -0.2(14) .
C2 C3 C4 C5 0.1(14) .
C3 C4 C5 C6 0.5(12) .
C2 C1 C6 C5 0.8(10) .
C2 C1 C6 P1 -177.1(6) .
C4 C5 C6 C1 -0.9(10) .
C4 C5 C6 P1 176.8(6) .
N1 P1 C6 C1 88.1(5) .
C12 P1 C6 C1 -154.5(5) .
Cr1 P1 C6 C1 -16.4(6) .
N1 P1 C6 C5 -89.7(6) .
C12 P1 C6 C5 27.7(7) .
Cr1 P1 C6 C5 165.9(5) .
C12 C7 C8 C9 -0.1(15) .
C7 C8 C9 C10 -3.4(17) .
C8 C9 C10 C11 4.5(16) .
C9 C10 C11 C12 -2.1(14) .
C10 C11 C12 C7 -1.4(12) .
C10 C11 C12 P1 -172.3(7) .
C8 C7 C12 C11 2.6(12) .
C8 C7 C12 P1 173.5(7) .
N1 P1 C12 C11 -31.0(7) .
C6 P1 C12 C11 -146.6(6) .
Cr1 P1 C12 C11 73.3(6) .
N1 P1 C12 C7 158.1(6) .
C6 P1 C12 C7 42.5(7) .
Cr1 P1 C12 C7 -97.6(6) .
P2 N1 C13 C18 -139.6(5) .
P1 N1 C13 C18 55.0(7) .
P2 N1 C13 C14 90.0(6) .
P1 N1 C13 C14 -75.4(7) .
C18 C13 C14 C15 56.3(8) .
N1 C13 C14 C15 -172.7(6) .
C13 C14 C15 C16 -54.9(9) .
C14 C15 C16 C17 56.0(10) .
C15 C16 C17 C18 -57.0(10) .
N1 C13 C18 C17 173.0(5) .
C14 C13 C18 C17 -56.2(7) .
C16 C17 C18 C13 55.7(9) .
C24 C19 C20 C21 1.6(11) .
C19 C20 C21 C22 -0.9(12) .
C20 C21 C22 C23 -1.7(13) .
C21 C22 C23 C24 3.6(12) .
C20 C19 C24 C23 0.3(10) .
C20 C19 C24 P2 176.4(5) .
C22 C23 C24 C19 -2.8(10) .
C22 C23 C24 P2 -178.8(6) .
N1 P2 C24 C19 -83.0(5) .
C30 P2 C24 C19 162.4(5) .
Cr1 P2 C24 C19 24.9(6) .
N1 P2 C24 C23 93.0(6) .
C30 P2 C24 C23 -21.6(6) .
Cr1 P2 C24 C23 -159.2(5) .
C30 C25 C26 C27 1.3(11) .
C25 C26 C27 C28 0.4(12) .
C26 C27 C28 C29 -2.3(12) .
C27 C28 C29 C30 2.4(11) .
C28 C29 C30 C25 -0.8(10) .
C28 C29 C30 P2 178.9(6) .
C26 C25 C30 C29 -1.1(9) .
C26 C25 C30 P2 179.2(5) .
N1 P2 C30 C29 -2.1(6) .
C24 P2 C30 C29 111.1(6) .
Cr1 P2 C30 C29 -107.5(6) .
N1 P2 C30 C25 177.6(4) .
C24 P2 C30 C25 -69.1(5) .
Cr1 P2 C30 C25 72.2(5) .
C36 C31 C32 C33 -1.9(12) .
C31 C32 C33 C34 -1.3(14) .
C32 C33 C34 C35 2.7(15) .
C33 C34 C35 C36 -1.0(14) .
C32 C31 C36 C35 3.5(11) .
C32 C31 C36 P3 -179.5(6) .
C34 C35 C36 C31 -2.2(11) .
C34 C35 C36 P3 -179.6(7) .
N2 P3 C36 C31 -7.8(7) .
C42 P3 C36 C31 108.7(6) .
Cr1 P3 C36 C31 -113.4(6) .
N2 P3 C36 C35 169.4(5) .
C42 P3 C36 C35 -74.1(6) .
Cr1 P3 C36 C35 63.8(5) .
C42 C37 C38 C39 -1.5(12) .
C37 C38 C39 C40 0.9(13) .
C38 C39 C40 C41 -0.4(13) .
C39 C40 C41 C42 0.6(12) .
C40 C41 C42 C37 -1.2(10) .
C40 C41 C42 P3 177.9(6) .
C38 C37 C42 C41 1.7(10) .
C38 C37 C42 P3 -177.4(6) .
N2 P3 C42 C41 -77.3(6) .
C36 P3 C42 C41 161.9(5) .
Cr1 P3 C42 C41 30.8(6) .
N2 P3 C42 C37 101.7(5) .
C36 P3 C42 C37 -19.0(6) .
Cr1 P3 C42 C37 -150.2(4) .
P3 N2 C43 C44 -61.1(8) .
P4 N2 C43 C44 137.9(6) .
P3 N2 C43 C48 70.1(8) .
P4 N2 C43 C48 -90.9(6) .
N2 C43 C44 C45 -166.7(7) .
C48 C43 C44 C45 58.8(9) .
C43 C44 C45 C46 -56.0(10) .
C44 C45 C46 C47 53.8(11) .
C45 C46 C47 C48 -55.1(11) .
C44 C43 C48 C47 -60.0(8) .
N2 C43 C48 C47 164.6(6) .
C46 C47 C48 C43 57.4(10) .
C54 C49 C50 C51 2.4(12) .
C49 C50 C51 C52 -1.6(14) .
C50 C51 C52 C53 1.4(14) .
C51 C52 C53 C54 -2.0(12) .
C52 C53 C54 C49 2.8(11) .
C52 C53 C54 P4 -172.1(6) .
C50 C49 C54 C53 -3.0(10) .
C50 C49 C54 P4 171.5(6) .
N2 P4 C54 C53 91.0(5) .
C60 P4 C54 C53 -156.1(5) .
Cr1 P4 C54 C53 -10.8(6) .
N2 P4 C54 C49 -83.7(6) .
C60 P4 C54 C49 29.2(6) .
Cr1 P4 C54 C49 174.6(5) .
C60 C55 C56 C57 3.0(13) .
C55 C56 C57 C58 -1.5(14) .
C56 C57 C58 C59 -0.7(13) .
C57 C58 C59 C60 1.6(12) .
C58 C59 C60 C55 -0.2(10) .
C58 C59 C60 P4 177.6(6) .
C56 C55 C60 C59 -2.1(11) .
C56 C55 C60 P4 -179.9(6) .
N2 P4 C60 C59 159.8(5) .
C54 P4 C60 C59 47.0(6) .
Cr1 P4 C60 C59 -93.0(5) .
N2 P4 C60 C55 -22.5(6) .
C54 P4 C60 C55 -135.4(5) .
Cr1 P4 C60 C55 84.6(6) .
C64 C64 C65 C66 -176(3) 2_667
C72 C67 C68 C69 2(3) .
C67 C68 C69 C70 -4(4) .
C67 C68 C69 C71 -3(3) .
C68 C69 C70 C71 3(6) .
C69 C70 C71 C72 1(6) .
C68 C69 C71 C70 -177(5) .
C70 C69 C71 C72 -179(5) .
C68 C69 C71 C72 3(2) .
C68 C67 C72 C71 2(3) .
C68 C67 C72 C73 -178(2) .
C70 C71 C72 C67 -3(5) .
C69 C71 C72 C67 -3(3) .
C70 C71 C72 C73 176(3) .
C69 C71 C72 C73 176(3) .
