#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/19/4081954.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_4081954
loop_
_publ_author_name
'Alzamly, Ahmed'
'Gambarotta, Sandro'
'Korobkov, Ilia'
_publ_section_title
;
 Synthesis, Structures, and Ethylene Oligomerization Activity of
 Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              7107
_journal_paper_doi               10.1021/om4008289
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C38.5 H48.5 Al2 Cl5 Cr N3 P2'
_chemical_formula_weight         898.45
_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                98.8110(10)
_cell_angle_beta                 105.1540(10)
_cell_angle_gamma                92.4280(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7401(5)
_cell_length_b                   12.6900(7)
_cell_length_c                   17.5709(9)
_cell_measurement_reflns_used    4519
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      2.44
_cell_volume                     2275.7(2)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0750
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25547
_diffrn_reflns_theta_full        24.73
_diffrn_reflns_theta_max         24.73
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_T_max  0.9473
_exptl_absorpt_correction_T_min  0.9224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             931
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.601
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7657
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1037
_refine_ls_R_factor_gt           0.0523
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'calc w=1/[σ²(Fo²)+(0.0719P)²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1198
_refine_ls_wR_factor_ref         0.1408
_reflns_number_gt                4765
_reflns_number_total             7657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4008289_si_002.cif
_cod_data_source_block           sg209
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C38.50 H48.50 Al2 Cl5 Cr N3 P2'
_cod_database_code               4081954
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
Cr1 Cr 0.54165(6) 0.76847(5) 0.22242(4) 0.0321(2) Uani 1 1 d .
Al2 Al 0.85515(14) 0.77153(13) 0.21802(9) 0.0477(4) Uani 1 1 d .
Al3 Al 0.29133(14) 0.30580(11) 0.40657(8) 0.0418(4) Uani 1 1 d .
Cl1 Cl 0.75878(10) 0.75713(9) 0.31669(6) 0.0409(3) Uani 1 1 d .
Cl2 Cl 0.65856(11) 0.75981(10) 0.12278(7) 0.0501(3) Uani 1 1 d .
Cl4 Cl 0.31789(13) 0.14436(9) 0.43054(7) 0.0516(3) Uani 1 1 d .
Cl5 Cl 0.13920(13) 0.29425(12) 0.29758(8) 0.0634(4) Uani 1 1 d .
Cl6 Cl 0.46719(13) 0.35813(11) 0.37817(8) 0.0636(4) Uani 1 1 d .
N1 N 0.4567(3) 0.7647(3) 0.31463(19) 0.0297(8) Uani 1 1 d .
N2 N 0.4415(3) 0.9490(3) 0.3256(2) 0.0394(9) Uani 1 1 d .
H2B H 0.3972 1.0034 0.3365 0.047 Uiso 1 1 calc R
N3 N 0.4741(3) 0.5802(3) 0.30243(19) 0.0365(9) Uani 1 1 d .
H3B H 0.4842 0.5229 0.3253 0.044 Uiso 1 1 calc R
P1 P 0.54767(12) 0.96196(9) 0.27086(7) 0.0371(3) Uani 1 1 d .
P2 P 0.49543(11) 0.57442(9) 0.21035(6) 0.0326(3) Uani 1 1 d .
C1 C 0.4224(4) 0.8552(3) 0.3538(2) 0.0330(10) Uani 1 1 d .
C2 C 0.3696(4) 0.8552(4) 0.4171(3) 0.0422(12) Uani 1 1 d .
H2A H 0.3415 0.9190 0.4408 0.051 Uiso 1 1 calc R
C3 C 0.3584(4) 0.7608(4) 0.4453(3) 0.0410(11) Uani 1 1 d .
H3A H 0.3262 0.7597 0.4907 0.049 Uiso 1 1 calc R
C4 C 0.3935(4) 0.6689(4) 0.4080(2) 0.0376(11) Uani 1 1 d .
H4A H 0.3850 0.6035 0.4269 0.045 Uiso 1 1 calc R
C5 C 0.4413(4) 0.6717(3) 0.3431(2) 0.0314(10) Uani 1 1 d .
C6 C 0.6873(4) 1.0394(4) 0.3414(3) 0.0414(11) Uani 1 1 d .
C7 C 0.7385(5) 1.0041(4) 0.4139(3) 0.0418(11) Uani 1 1 d .
H7A H 0.6977 0.9427 0.4252 0.050 Uiso 1 1 calc R
C8 C 0.8458(5) 1.0565(4) 0.4686(3) 0.0482(13) Uani 1 1 d .
H8A H 0.8780 1.0324 0.5181 0.058 Uiso 1 1 calc R
C9 C 0.9070(5) 1.1432(5) 0.4526(3) 0.0633(15) Uani 1 1 d .
H9A H 0.9835 1.1778 0.4904 0.076 Uiso 1 1 calc R
C10 C 0.8594(6) 1.1810(5) 0.3826(4) 0.0764(18) Uani 1 1 d .
H10A H 0.9017 1.2424 0.3723 0.092 Uiso 1 1 calc R
C11 C 0.7480(5) 1.1287(4) 0.3262(3) 0.0629(15) Uani 1 1 d .
H11A H 0.7143 1.1547 0.2777 0.076 Uiso 1 1 calc R
C12 C 0.4794(5) 1.0496(3) 0.2012(3) 0.0406(11) Uani 1 1 d .
C13 C 0.3853(6) 1.1138(4) 0.2126(3) 0.0686(17) Uani 1 1 d .
H13A H 0.3523 1.1131 0.2577 0.082 Uiso 1 1 calc R
C14 C 0.3381(7) 1.1803(5) 0.1580(4) 0.087(2) Uani 1 1 d .
H14A H 0.2715 1.2244 0.1653 0.105 Uiso 1 1 calc R
C15 C 0.3872(6) 1.1829(4) 0.0933(3) 0.0701(17) Uani 1 1 d .
H15A H 0.3560 1.2302 0.0570 0.084 Uiso 1 1 calc R
C16 C 0.4797(6) 1.1182(4) 0.0814(3) 0.0599(15) Uani 1 1 d .
H16A H 0.5123 1.1192 0.0361 0.072 Uiso 1 1 calc R
C17 C 0.5268(5) 1.0504(4) 0.1351(3) 0.0515(13) Uani 1 1 d .
H17A H 0.5915 1.0046 0.1267 0.062 Uiso 1 1 calc R
C18 C 0.6179(4) 0.4808(3) 0.2070(3) 0.0362(10) Uani 1 1 d .
C19 C 0.6190(5) 0.4172(4) 0.1363(3) 0.0469(12) Uani 1 1 d .
H19A H 0.5520 0.4191 0.0891 0.056 Uiso 1 1 calc R
C20 C 0.7161(5) 0.3510(4) 0.1335(3) 0.0551(14) Uani 1 1 d .
H20A H 0.7162 0.3083 0.0841 0.066 Uiso 1 1 calc R
C21 C 0.8130(5) 0.3457(4) 0.2010(3) 0.0537(13) Uani 1 1 d .
H21A H 0.8792 0.2989 0.1989 0.064 Uiso 1 1 calc R
C22 C 0.8129(5) 0.4092(4) 0.2720(3) 0.0563(14) Uani 1 1 d .
H22A H 0.8800 0.4063 0.3190 0.068 Uiso 1 1 calc R
C23 C 0.7162(4) 0.4772(4) 0.2757(3) 0.0465(12) Uani 1 1 d .
H23A H 0.7172 0.5210 0.3248 0.056 Uiso 1 1 calc R
C24 C 0.3481(4) 0.5087(3) 0.1403(2) 0.0357(10) Uani 1 1 d .
C25 C 0.2525(4) 0.4597(4) 0.1663(3) 0.0421(11) Uani 1 1 d .
H25A H 0.2649 0.4588 0.2217 0.051 Uiso 1 1 calc R
C26 C 0.1400(5) 0.4126(4) 0.1120(3) 0.0548(13) Uani 1 1 d .
H26A H 0.0744 0.3801 0.1302 0.066 Uiso 1 1 calc R
C27 C 0.1218(5) 0.4122(4) 0.0320(3) 0.0614(15) Uani 1 1 d .
H27A H 0.0442 0.3787 -0.0052 0.074 Uiso 1 1 calc R
C28 C 0.2165(5) 0.4604(4) 0.0053(3) 0.0587(15) Uani 1 1 d .
H28A H 0.2038 0.4601 -0.0503 0.070 Uiso 1 1 calc R
C29 C 0.3279(4) 0.5084(4) 0.0587(3) 0.0433(12) Uani 1 1 d .
H29A H 0.3923 0.5419 0.0400 0.052 Uiso 1 1 calc R
C30 C 0.3722(4) 0.7810(4) 0.1354(3) 0.0418(11) Uani 1 1 d .
H30A H 0.3813 0.8504 0.1173 0.050 Uiso 1 1 calc R
H30B H 0.3671 0.7241 0.0891 0.050 Uiso 1 1 calc R
C31 C 0.2428(5) 0.7739(4) 0.1554(3) 0.0580(14) Uani 1 1 d .
H31A H 0.1731 0.7819 0.1085 0.087 Uiso 1 1 calc R
H31B H 0.2435 0.8310 0.1999 0.087 Uiso 1 1 calc R
H31C H 0.2285 0.7042 0.1707 0.087 Uiso 1 1 calc R
C32 C 0.9293(6) 0.9153(5) 0.2266(4) 0.0746(17) Uani 1 1 d .
H32A H 0.9553 0.9201 0.1771 0.089 Uiso 1 1 calc R
H32B H 0.8607 0.9645 0.2286 0.089 Uiso 1 1 calc R
C33 C 1.0403(7) 0.9540(6) 0.2944(5) 0.117(3) Uani 1 1 d .
H33A H 1.0687 1.0277 0.2923 0.176 Uiso 1 1 calc R
H33B H 1.1110 0.9083 0.2924 0.176 Uiso 1 1 calc R
H33C H 1.0160 0.9523 0.3442 0.176 Uiso 1 1 calc R
C34 C 0.9481(5) 0.6446(4) 0.2065(3) 0.0496(13) Uani 1 1 d .
H34A H 0.8855 0.5804 0.1902 0.060 Uiso 1 1 calc R
H34B H 0.9917 0.6474 0.1636 0.060 Uiso 1 1 calc R
C35 C 1.0495(5) 0.6346(5) 0.2842(3) 0.0687(16) Uani 1 1 d .
H35A H 1.0939 0.5697 0.2756 0.103 Uiso 1 1 calc R
H35B H 1.0066 0.6302 0.3266 0.103 Uiso 1 1 calc R
H35C H 1.1127 0.6973 0.3000 0.103 Uiso 1 1 calc R
C36 C 0.2605(7) 0.3974(5) 0.4966(3) 0.0773(18) Uani 1 1 d .
H36A H 0.2438 0.3503 0.5334 0.093 Uiso 1 1 calc R
H36B H 0.3430 0.4410 0.5246 0.093 Uiso 1 1 calc R
C37 C 0.1627(8) 0.4684(8) 0.4878(4) 0.136(4) Uani 1 1 d .
H37A H 0.1632 0.5074 0.5406 0.203 Uiso 1 1 calc R
H37B H 0.0784 0.4279 0.4629 0.203 Uiso 1 1 calc R
H37C H 0.1784 0.5193 0.4540 0.203 Uiso 1 1 calc R
C39 C 0.9328(11) 0.1183(8) 0.0591(6) 0.060(3) Uani 0.50 1 d PD
H39A H 0.9921 0.1178 0.1127 0.071 Uiso 0.50 1 calc PR
H39B H 0.9266 0.1935 0.0507 0.071 Uiso 0.50 1 calc PR
C40 C 0.9844(15) 0.0541(8) -0.0056(7) 0.104(5) Uani 0.50 1 d PD
H40A H 0.9190 0.0496 -0.0577 0.125 Uiso 0.50 1 calc PR
H40B H 1.0633 0.0944 -0.0087 0.125 Uiso 0.50 1 calc PR
C38 C 0.8141(13) 0.0724(10) 0.0544(7) 0.095(5) Uani 0.50 1 d PD
H38A H 0.7801 0.1113 0.0962 0.143 Uiso 0.50 1 calc PR
H38B H 0.8209 -0.0023 0.0619 0.143 Uiso 0.50 1 calc PR
H38C H 0.7554 0.0750 0.0018 0.143 Uiso 0.50 1 calc PR
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_1
N1 Cr1 C30 96.25(16) .
N1 Cr1 Cl2 173.28(10) .
C30 Cr1 Cl2 89.51(13) .
N1 Cr1 P2 79.76(10) .
C30 Cr1 P2 92.48(13) .
Cl2 Cr1 P2 96.57(5) .
N1 Cr1 P1 80.15(10) .
C30 Cr1 P1 88.37(13) .
Cl2 Cr1 P1 103.55(5) .
P2 Cr1 P1 159.87(5) .
N1 Cr1 Cl1 89.80(9) .
C30 Cr1 Cl1 173.87(13) .
Cl2 Cr1 Cl1 84.51(4) .
P2 Cr1 Cl1 89.54(4) .
P1 Cr1 Cl1 91.73(4) .
C32 Al2 C34 124.1(3) .
C32 Al2 Cl1 111.6(2) .
C34 Al2 Cl1 106.35(16) .
C32 Al2 Cl2 104.78(19) .
C34 Al2 Cl2 113.10(16) .
Cl1 Al2 Cl2 92.36(6) .
C36 Al3 Cl5 114.2(2) .
C36 Al3 Cl4 111.24(19) .
Cl5 Al3 Cl4 107.24(8) .
C36 Al3 Cl6 112.8(2) .
Cl5 Al3 Cl6 105.54(7) .
Cl4 Al3 Cl6 105.29(8) .
Al2 Cl1 Cr1 90.28(5) .
Al2 Cl2 Cr1 91.98(5) .
C1 N1 C5 117.0(3) .
C1 N1 Cr1 121.8(3) .
C5 N1 Cr1 121.1(3) .
C1 N2 P1 121.8(3) .
C5 N3 P2 122.0(3) .
N2 P1 C6 104.03(19) .
N2 P1 C12 106.1(2) .
C6 P1 C12 105.4(2) .
N2 P1 Cr1 94.94(13) .
C6 P1 Cr1 123.40(15) .
C12 P1 Cr1 119.67(15) .
N3 P2 C18 104.48(18) .
N3 P2 C24 106.76(19) .
C18 P2 C24 105.6(2) .
N3 P2 Cr1 95.24(13) .
C18 P2 Cr1 122.56(14) .
C24 P2 Cr1 119.37(14) .
N1 C1 C2 122.9(4) .
N1 C1 N2 116.3(4) .
C2 C1 N2 120.8(4) .
C1 C2 C3 118.5(4) .
C4 C3 C2 119.9(4) .
C3 C4 C5 119.6(4) .
C4 C5 N3 121.2(4) .
C4 C5 N1 122.0(4) .
N3 C5 N1 116.7(4) .
C11 C6 C7 118.6(5) .
C11 C6 P1 123.5(4) .
C7 C6 P1 117.9(3) .
C8 C7 C6 121.0(4) .
C9 C8 C7 120.2(5) .
C10 C9 C8 120.6(5) .
C9 C10 C11 119.7(5) .
C6 C11 C10 119.8(5) .
C13 C12 C17 120.1(4) .
C13 C12 P1 122.0(4) .
C17 C12 P1 117.9(4) .
C12 C13 C14 119.5(5) .
C15 C14 C13 120.5(6) .
C16 C15 C14 120.1(5) .
C15 C16 C17 120.0(5) .
C12 C17 C16 119.8(5) .
C19 C18 C23 119.2(4) .
C19 C18 P2 121.0(3) .
C23 C18 P2 119.7(3) .
C18 C19 C20 120.6(4) .
C21 C20 C19 120.8(5) .
C20 C21 C22 119.1(5) .
C21 C22 C23 120.8(5) .
C22 C23 C18 119.5(5) .
C25 C24 C29 118.8(4) .
C25 C24 P2 121.2(3) .
C29 C24 P2 119.9(3) .
C26 C25 C24 120.2(4) .
C27 C26 C25 120.4(5) .
C26 C27 C28 120.0(5) .
C29 C28 C27 120.1(5) .
C28 C29 C24 120.5(5) .
C31 C30 Cr1 119.6(3) .
C33 C32 Al2 117.2(5) .
C35 C34 Al2 112.3(3) .
C37 C36 Al3 122.3(5) .
C38 C39 C40 108.1(11) .
C40 C40 C39 116.1(11) 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N1 2.062(3) .
Cr1 C30 2.079(4) .
Cr1 Cl2 2.3992(13) .
Cr1 P2 2.4569(13) .
Cr1 P1 2.4648(13) .
Cr1 Cl1 2.5069(12) .
Al2 C32 1.928(6) .
Al2 C34 1.942(5) .
Al2 Cl1 2.2650(18) .
Al2 Cl2 2.3088(18) .
Al3 C36 1.925(6) .
Al3 Cl5 2.1485(18) .
Al3 Cl4 2.1695(18) .
Al3 Cl6 2.178(2) .
N1 C1 1.362(5) .
N1 C5 1.369(5) .
N2 C1 1.386(5) .
N2 P1 1.690(3) .
N3 C5 1.377(5) .
N3 P2 1.684(3) .
P1 C6 1.812(5) .
P1 C12 1.814(4) .
P2 C18 1.815(4) .
P2 C24 1.808(4) .
C1 C2 1.374(6) .
C2 C3 1.377(6) .
C3 C4 1.365(6) .
C4 C5 1.373(5) .
C6 C11 1.378(6) .
C6 C7 1.398(6) .
C7 C8 1.362(6) .
C8 C9 1.361(7) .
C9 C10 1.371(7) .
C10 C11 1.402(7) .
C12 C13 1.361(6) .
C12 C17 1.385(6) .
C13 C14 1.386(7) .
C14 C15 1.376(8) .
C15 C16 1.353(7) .
C16 C17 1.388(6) .
C18 C19 1.377(6) .
C18 C23 1.389(6) .
C19 C20 1.373(6) .
C20 C21 1.371(7) .
C21 C22 1.377(7) .
C22 C23 1.387(6) .
C24 C25 1.388(6) .
C24 C29 1.393(6) .
C25 C26 1.374(6) .
C26 C27 1.366(7) .
C27 C28 1.383(7) .
C28 C29 1.363(6) .
C30 C31 1.522(6) .
C32 C33 1.452(8) .
C34 C35 1.534(6) .
C36 C37 1.406(8) .
C39 C38 1.356(13) .
C39 C40 1.532(12) .
C40 C40 1.456(15) 2_755
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_4
C32 Al2 Cl1 Cr1 99.8(2) .
C34 Al2 Cl1 Cr1 -122.03(16) .
Cl2 Al2 Cl1 Cr1 -7.11(6) .
N1 Cr1 Cl1 Al2 -176.73(11) .
C30 Cr1 Cl1 Al2 -5.8(13) .
Cl2 Cr1 Cl1 Al2 6.86(6) .
P2 Cr1 Cl1 Al2 103.51(6) .
P1 Cr1 Cl1 Al2 -96.59(6) .
C32 Al2 Cl2 Cr1 -105.7(2) .
C34 Al2 Cl2 Cr1 116.33(17) .
Cl1 Al2 Cl2 Cr1 7.43(6) .
N1 Cr1 Cl2 Al2 -39.1(9) .
C30 Cr1 Cl2 Al2 171.93(14) .
P2 Cr1 Cl2 Al2 -95.64(6) .
P1 Cr1 Cl2 Al2 83.72(6) .
Cl1 Cr1 Cl2 Al2 -6.74(6) .
C30 Cr1 N1 C1 -78.3(3) .
Cl2 Cr1 N1 C1 133.0(8) .
P2 Cr1 N1 C1 -169.7(3) .
P1 Cr1 N1 C1 9.0(3) .
Cl1 Cr1 N1 C1 100.8(3) .
C30 Cr1 N1 C5 106.7(3) .
Cl2 Cr1 N1 C5 -42.0(11) .
P2 Cr1 N1 C5 15.3(3) .
P1 Cr1 N1 C5 -166.1(3) .
Cl1 Cr1 N1 C5 -74.3(3) .
C1 N2 P1 C6 -102.2(3) .
C1 N2 P1 C12 146.9(3) .
C1 N2 P1 Cr1 24.1(3) .
N1 Cr1 P1 N2 -14.92(15) .
C30 Cr1 P1 N2 81.70(18) .
Cl2 Cr1 P1 N2 170.80(13) .
P2 Cr1 P1 N2 -11.1(2) .
Cl1 Cr1 P1 N2 -104.42(13) .
N1 Cr1 P1 C6 95.5(2) .
C30 Cr1 P1 C6 -167.9(2) .
Cl2 Cr1 P1 C6 -78.81(18) .
P2 Cr1 P1 C6 99.3(2) .
Cl1 Cr1 P1 C6 5.96(18) .
N1 Cr1 P1 C12 -126.6(2) .
C30 Cr1 P1 C12 -30.0(2) .
Cl2 Cr1 P1 C12 59.11(19) .
P2 Cr1 P1 C12 -122.8(2) .
Cl1 Cr1 P1 C12 143.88(18) .
C5 N3 P2 C18 148.4(3) .
C5 N3 P2 C24 -100.0(3) .
C5 N3 P2 Cr1 22.8(3) .
N1 Cr1 P2 N3 -17.23(15) .
C30 Cr1 P2 N3 -113.13(18) .
Cl2 Cr1 P2 N3 157.08(13) .
P1 Cr1 P2 N3 -21.1(2) .
Cl1 Cr1 P2 N3 72.65(13) .
N1 Cr1 P2 C18 -128.12(19) .
C30 Cr1 P2 C18 136.0(2) .
Cl2 Cr1 P2 C18 46.19(17) .
P1 Cr1 P2 C18 -132.0(2) .
Cl1 Cr1 P2 C18 -38.23(17) .
N1 Cr1 P2 C24 95.34(19) .
C30 Cr1 P2 C24 -0.6(2) .
Cl2 Cr1 P2 C24 -90.35(17) .
P1 Cr1 P2 C24 91.5(2) .
Cl1 Cr1 P2 C24 -174.77(17) .
C5 N1 C1 C2 -2.6(6) .
Cr1 N1 C1 C2 -177.8(3) .
C5 N1 C1 N2 178.5(3) .
Cr1 N1 C1 N2 3.2(5) .
P1 N2 C1 N1 -21.6(5) .
P1 N2 C1 C2 159.4(3) .
N1 C1 C2 C3 4.2(7) .
N2 C1 C2 C3 -176.9(4) .
C1 C2 C3 C4 -3.2(7) .
C2 C3 C4 C5 0.7(7) .
C3 C4 C5 N3 -178.0(4) .
C3 C4 C5 N1 0.9(6) .
P2 N3 C5 C4 163.8(3) .
P2 N3 C5 N1 -15.2(5) .
C1 N1 C5 C4 0.0(6) .
Cr1 N1 C5 C4 175.3(3) .
C1 N1 C5 N3 179.0(3) .
Cr1 N1 C5 N3 -5.8(5) .
N2 P1 C6 C11 -130.8(4) .
C12 P1 C6 C11 -19.3(5) .
Cr1 P1 C6 C11 123.5(4) .
N2 P1 C6 C7 51.5(4) .
C12 P1 C6 C7 162.9(4) .
Cr1 P1 C6 C7 -54.2(4) .
C11 C6 C7 C8 0.0(7) .
P1 C6 C7 C8 177.9(3) .
C6 C7 C8 C9 -1.5(7) .
C7 C8 C9 C10 2.1(8) .
C8 C9 C10 C11 -1.2(10) .
C7 C6 C11 C10 0.8(8) .
P1 C6 C11 C10 -176.9(4) .
C9 C10 C11 C6 -0.2(9) .
N2 P1 C12 C13 18.2(5) .
C6 P1 C12 C13 -91.8(5) .
Cr1 P1 C12 C13 123.7(4) .
N2 P1 C12 C17 -162.4(4) .
C6 P1 C12 C17 87.6(4) .
Cr1 P1 C12 C17 -56.9(4) .
C17 C12 C13 C14 -0.4(9) .
P1 C12 C13 C14 179.0(5) .
C12 C13 C14 C15 -1.1(10) .
C13 C14 C15 C16 1.8(10) .
C14 C15 C16 C17 -1.1(9) .
C13 C12 C17 C16 1.0(8) .
P1 C12 C17 C16 -178.4(4) .
C15 C16 C17 C12 -0.3(8) .
N3 P2 C18 C19 148.8(4) .
C24 P2 C18 C19 36.4(4) .
Cr1 P2 C18 C19 -105.1(4) .
N3 P2 C18 C23 -34.7(4) .
C24 P2 C18 C23 -147.1(4) .
Cr1 P2 C18 C23 71.4(4) .
C23 C18 C19 C20 -0.1(7) .
P2 C18 C19 C20 176.4(4) .
C18 C19 C20 C21 0.9(8) .
C19 C20 C21 C22 -1.0(8) .
C20 C21 C22 C23 0.4(8) .
C21 C22 C23 C18 0.3(7) .
C19 C18 C23 C22 -0.5(7) .
P2 C18 C23 C22 -177.0(4) .
N3 P2 C24 C25 -9.7(4) .
C18 P2 C24 C25 101.1(4) .
Cr1 P2 C24 C25 -115.9(3) .
N3 P2 C24 C29 169.1(3) .
C18 P2 C24 C29 -80.1(4) .
Cr1 P2 C24 C29 62.9(4) .
C29 C24 C25 C26 -0.4(7) .
P2 C24 C25 C26 178.4(4) .
C24 C25 C26 C27 0.9(7) .
C25 C26 C27 C28 -0.7(8) .
C26 C27 C28 C29 0.0(8) .
C27 C28 C29 C24 0.5(7) .
C25 C24 C29 C28 -0.3(7) .
P2 C24 C29 C28 -179.1(4) .
N1 Cr1 C30 C31 -5.5(4) .
Cl2 Cr1 C30 C31 171.1(4) .
P2 Cr1 C30 C31 74.5(4) .
P1 Cr1 C30 C31 -85.4(4) .
Cl1 Cr1 C30 C31 -176.4(10) .
C34 Al2 C32 C33 -61.2(6) .
Cl1 Al2 C32 C33 68.2(6) .
Cl2 Al2 C32 C33 166.8(5) .
C32 Al2 C34 C35 72.4(5) .
Cl1 Al2 C34 C35 -59.1(4) .
Cl2 Al2 C34 C35 -159.0(3) .
Cl5 Al3 C36 C37 -13.5(8) .
Cl4 Al3 C36 C37 -135.0(7) .
Cl6 Al3 C36 C37 107.0(7) .
C38 C39 C40 C40 -68(2) 2_755
