#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:52:50 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178538 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/44/4064430.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_4064430
loop_
_publ_author_name
'Peitz, Stephan'
'Peulecke, Normen'
'Müller, Bernd H.'
'Spannenberg, Anke'
'Drexler, Hans-Joachim'
'Rosenthal, Uwe'
'Al-Hazmi, Mohammed H.'
'Al-Eidan, Khalid E.'
'Wöhl, Anina'
'Müller, Wolfgang'
_publ_section_title
;
 Heterobimetallic Al−Cl−Cr Intermediates with Relevance to
 the Selective Catalytic Ethene Trimerization Systems Consisting of
 CrCl3(THF)3, the Aminophosphorus Ligands Ph2PN(R)P(Ph)N(R)H, and
 Triethylaluminum
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2364
_journal_paper_doi               10.1021/om200100g
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C76 H106 Al2 Cl4 Cr2 N4 P4'
_chemical_formula_weight         1499.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.66(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.081(3)
_cell_length_b                   10.768(2)
_cell_length_c                   23.126(5)
_cell_measurement_reflns_used    3659
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.21
_cell_measurement_theta_min      1.48
_cell_volume                     4002.8(14)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        X-AREA
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2007)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (J. Appl. Cryst. 2005,38,381)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       ω
_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  0.0557
_diffrn_reflns_av_sigmaI/netI    0.0685
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            45309
_diffrn_reflns_theta_full        26.72
_diffrn_reflns_theta_max         26.72
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.549
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.480
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.814
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         8494
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      0.817
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0399
_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)+(0.0505P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                4949
_reflns_number_total             8494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200100g_si_002.cif
_cod_data_source_block           2c
_cod_original_cell_volume        4002.6(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4064430
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C28A C 0.7455(3) 0.6203(4) 0.19472(14) 0.0549(17) Uiso 0.504(2) 1 d PG A 2
C33A C 0.8142(2) 0.6126(5) 0.23238(18) 0.075(2) Uiso 0.504(2) 1 d PG A 2
H33A H 0.8676 0.6368 0.2198 0.090 Uiso 0.504(2) 1 calc PR A 2
C32A C 0.8050(2) 0.5696(5) 0.28849(17) 0.0623(19) Uiso 0.504(2) 1 d PG A 2
H32A H 0.8520 0.5643 0.3142 0.075 Uiso 0.504(2) 1 calc PR A 2
C31A C 0.7269(3) 0.5342(5) 0.30694(14) 0.077(2) Uiso 0.504(2) 1 d PG A 2
H31A H 0.7206 0.5048 0.3453 0.092 Uiso 0.504(2) 1 calc PR A 2
C30A C 0.6582(2) 0.5419(4) 0.26928(17) 0.076(2) Uiso 0.504(2) 1 d PG A 2
H30A H 0.6049 0.5177 0.2819 0.091 Uiso 0.504(2) 1 calc PR A 2
C29A C 0.6675(2) 0.5849(4) 0.21317(16) 0.0561(15) Uiso 0.504(2) 1 d PG A 2
H29A H 0.6205 0.5902 0.1874 0.067 Uiso 0.504(2) 1 calc PR A 2
C34A C 0.7518(4) 0.6709(7) 0.1332(3) 0.0711(19) Uiso 0.504(2) 1 d P A 2
H34A H 0.6966 0.6698 0.1140 0.107 Uiso 0.504(2) 1 calc PR A 2
H34B H 0.7900 0.6191 0.1115 0.107 Uiso 0.504(2) 1 calc PR A 2
H34C H 0.7728 0.7564 0.1347 0.107 Uiso 0.504(2) 1 calc PR A 2
C28B C 0.7215(3) 0.6343(4) 0.20728(19) 0.0585(17) Uiso 0.496(2) 1 d PG A 1
C29B C 0.7212(3) 0.5061(4) 0.20014(18) 0.080(2) Uiso 0.496(2) 1 d PG A 1
H29B H 0.6926 0.4700 0.1678 0.097 Uiso 0.496(2) 1 calc PR A 1
C30B C 0.7627(3) 0.4307(3) 0.2403(2) 0.095(3) Uiso 0.496(2) 1 d PG A 1
H30B H 0.7624 0.3431 0.2355 0.114 Uiso 0.496(2) 1 calc PR A 1
C31B C 0.8045(3) 0.4835(5) 0.2877(2) 0.083(2) Uiso 0.496(2) 1 d PG A 1
H31B H 0.8328 0.4320 0.3152 0.099 Uiso 0.496(2) 1 calc PR A 1
C32B C 0.8048(3) 0.6117(5) 0.29484(18) 0.095(3) Uiso 0.496(2) 1 d PG A 1
H32B H 0.8334 0.6478 0.3272 0.114 Uiso 0.496(2) 1 calc PR A 1
C33B C 0.7634(3) 0.6871(4) 0.2546(2) 0.077(2) Uiso 0.496(2) 1 d PG A 1
H33B H 0.7636 0.7747 0.2595 0.093 Uiso 0.496(2) 1 calc PR A 1
C34B C 0.6811(5) 0.7123(8) 0.1619(3) 0.089(2) Uiso 0.496(2) 1 d P A 1
H34D H 0.6864 0.8000 0.1727 0.133 Uiso 0.496(2) 1 calc PR A 1
H34E H 0.6220 0.6903 0.1580 0.133 Uiso 0.496(2) 1 calc PR A 1
H34F H 0.7080 0.6981 0.1250 0.133 Uiso 0.496(2) 1 calc PR A 1
C13A C -0.0070(3) 0.8825(7) 0.0847(3) 0.0752(13) Uiso 0.496(2) 1 d PDU A 1
H13A H -0.0019 0.8947 0.0426 0.090 Uiso 0.496(2) 1 calc PR A 1
H13B H -0.0324 0.7999 0.0906 0.090 Uiso 0.496(2) 1 calc PR A 1
C14A C -0.0655(5) 0.9812(7) 0.1075(3) 0.0819(14) Uiso 0.496(2) 1 d PDU A 1
H14A H -0.0408 1.0646 0.1027 0.098 Uiso 0.496(2) 1 calc PR A 1
H14B H -0.1192 0.9785 0.0856 0.098 Uiso 0.496(2) 1 calc PR A 1
C15A C -0.0794(5) 0.9563(8) 0.1712(3) 0.098(2) Uiso 0.496(2) 1 d PDU A 1
H15A H -0.1152 1.0212 0.1867 0.147 Uiso 0.496(2) 1 calc PR A 1
H15B H -0.0258 0.9564 0.1924 0.147 Uiso 0.496(2) 1 calc PR A 1
H15C H -0.1062 0.8752 0.1755 0.147 Uiso 0.496(2) 1 calc PR A 1
C13B C -0.0011(3) 0.9419(6) 0.0916(3) 0.0765(13) Uiso 0.504(2) 1 d PDU A 2
H13C H -0.0238 0.9975 0.1214 0.092 Uiso 0.504(2) 1 calc PR A 2
H13D H 0.0067 0.9898 0.0556 0.092 Uiso 0.504(2) 1 calc PR A 2
C14B C -0.0575(5) 0.8305(6) 0.0807(3) 0.0773(13) Uiso 0.504(2) 1 d PDU A 2
H14C H -0.0305 0.7741 0.0531 0.093 Uiso 0.504(2) 1 calc PR A 2
H14D H -0.1102 0.8598 0.0622 0.093 Uiso 0.504(2) 1 calc PR A 2
C15B C -0.0779(5) 0.7569(7) 0.1347(3) 0.092(2) Uiso 0.504(2) 1 d PDU A 2
H15D H -0.1134 0.6862 0.1239 0.138 Uiso 0.504(2) 1 calc PR A 2
H15E H -0.1071 0.8106 0.1616 0.138 Uiso 0.504(2) 1 calc PR A 2
H15F H -0.0262 0.7266 0.1533 0.138 Uiso 0.504(2) 1 calc PR A 2
Al1 Al 0.30683(5) 0.30886(8) 0.13718(3) 0.0472(2) Uani 1 1 d . . .
C1 C 0.23306(14) 0.5182(2) 0.19824(9) 0.0372(6) Uani 1 1 d . . .
H1 H 0.2469 0.6056 0.2096 0.045 Uiso 1 1 calc R . .
C2 C 0.24449(17) 0.4368(3) 0.25173(10) 0.0484(7) Uani 1 1 d . . .
H2A H 0.2299 0.3508 0.2419 0.073 Uiso 1 1 calc R . .
H2B H 0.2083 0.4668 0.2821 0.073 Uiso 1 1 calc R . .
H2C H 0.3026 0.4405 0.2655 0.073 Uiso 1 1 calc R . .
C3 C 0.14323(15) 0.5153(3) 0.17659(10) 0.0447(6) Uani 1 1 d . . .
H3A H 0.1375 0.5637 0.1408 0.067 Uiso 1 1 calc R . .
H3B H 0.1076 0.5510 0.2060 0.067 Uiso 1 1 calc R . .
H3C H 0.1265 0.4292 0.1690 0.067 Uiso 1 1 calc R . .
C4 C 0.39340(13) 0.6905(2) 0.16389(9) 0.0328(5) Uani 1 1 d . . .
C5 C 0.41982(15) 0.6506(3) 0.21874(10) 0.0413(6) Uani 1 1 d . . .
H5 H 0.4033 0.5712 0.2322 0.050 Uiso 1 1 calc R . .
C6 C 0.46971(16) 0.7253(3) 0.25384(11) 0.0475(7) Uani 1 1 d . . .
H6 H 0.4865 0.6977 0.2914 0.057 Uiso 1 1 calc R . .
C7 C 0.49505(15) 0.8395(3) 0.23447(11) 0.0429(6) Uani 1 1 d . . .
H7 H 0.5296 0.8906 0.2585 0.052 Uiso 1 1 calc R . .
C8 C 0.47025(15) 0.8795(2) 0.18025(10) 0.0408(6) Uani 1 1 d . . .
H8 H 0.4882 0.9581 0.1668 0.049 Uiso 1 1 calc R . .
C9 C 0.41967(14) 0.8068(2) 0.14525(9) 0.0367(6) Uani 1 1 d . . .
H9 H 0.4025 0.8361 0.1080 0.044 Uiso 1 1 calc R . .
C10 C 0.22043(15) 0.7836(3) 0.10207(10) 0.0433(7) Uani 1 1 d . . .
H10A H 0.2475 0.8650 0.0961 0.052 Uiso 1 1 calc R . .
H10B H 0.2190 0.7693 0.1443 0.052 Uiso 1 1 calc R . .
C11 C 0.13166(16) 0.7914(3) 0.07853(11) 0.0540(8) Uani 1 1 d . A .
H11A H 0.1058 0.7080 0.0800 0.065 Uiso 1 1 calc R . .
H11B H 0.1319 0.8179 0.0375 0.065 Uiso 1 1 calc R . .
C12 C 0.08005(17) 0.8824(3) 0.11278(14) 0.0680(9) Uani 1 1 d D . .
H12A H 0.1047 0.9666 0.1114 0.082 Uiso 0.496(2) 1 calc PR A 1
H12B H 0.0778 0.8560 0.1537 0.082 Uiso 0.496(2) 1 calc PR A 1
H12C H 0.0674 0.8397 0.1494 0.082 Uiso 0.504(2) 1 calc PR A 2
H12D H 0.1178 0.9519 0.1233 0.082 Uiso 0.504(2) 1 calc PR A 2
C16 C 0.33451(15) 0.8247(3) -0.01909(9) 0.0426(6) Uani 1 1 d . . .
C17 C 0.28496(17) 0.9307(3) -0.02070(10) 0.0517(7) Uani 1 1 d . . .
H17 H 0.2289 0.9262 -0.0089 0.062 Uiso 1 1 calc R . .
C18 C 0.31673(18) 1.0422(3) -0.03931(11) 0.0545(8) Uani 1 1 d . . .
H18 H 0.2826 1.1143 -0.0398 0.065 Uiso 1 1 calc R . .
C19 C 0.39729(19) 1.0501(3) -0.05719(11) 0.0550(8) Uani 1 1 d . . .
H19 H 0.4187 1.1271 -0.0702 0.066 Uiso 1 1 calc R . .
C20 C 0.44668(18) 0.9461(3) -0.05607(11) 0.0558(8) Uani 1 1 d . . .
H20 H 0.5024 0.9514 -0.0684 0.067 Uiso 1 1 calc R . .
C21 C 0.41604(16) 0.8337(3) -0.03710(10) 0.0485(7) Uani 1 1 d . . .
H21 H 0.4508 0.7624 -0.0364 0.058 Uiso 1 1 calc R . .
C22 C 0.20733(9) 0.64004(19) -0.03635(7) 0.0483(7) Uani 1 1 d G . .
C23 C 0.19020(12) 0.69788(19) -0.08909(8) 0.0690(9) Uani 1 1 d G . .
H23 H 0.2258 0.7616 -0.1023 0.083 Uiso 1 1 calc R . .
C24 C 0.12095(14) 0.6625(2) -0.12249(7) 0.0911(13) Uani 1 1 d G . .
H24 H 0.1092 0.7020 -0.1585 0.109 Uiso 1 1 calc R . .
C25 C 0.06884(11) 0.5693(3) -0.10314(9) 0.0896(13) Uani 1 1 d G . .
H25 H 0.0215 0.5451 -0.1260 0.108 Uiso 1 1 calc R . .
C26 C 0.08596(11) 0.5114(2) -0.05040(9) 0.0743(10) Uani 1 1 d G . .
H26 H 0.0503 0.4477 -0.0372 0.089 Uiso 1 1 calc R . .
C27 C 0.15521(12) 0.54681(19) -0.01700(7) 0.0588(8) Uani 1 1 d G . .
H27 H 0.1669 0.5073 0.0190 0.071 Uiso 1 1 calc R . .
C28 C 0.20601(19) 0.2073(3) 0.12585(13) 0.0589(8) Uani 1 1 d . . .
H28A H 0.2237 0.1197 0.1218 0.071 Uiso 1 1 calc R . .
H28B H 0.1738 0.2128 0.1616 0.071 Uiso 1 1 calc R . .
C29 C 0.1470(2) 0.2378(3) 0.07463(15) 0.0727(10) Uani 1 1 d . . .
H29C H 0.1232 0.3207 0.0800 0.109 Uiso 1 1 calc R . .
H29D H 0.1021 0.1762 0.0724 0.109 Uiso 1 1 calc R . .
H29E H 0.1778 0.2360 0.0387 0.109 Uiso 1 1 calc R . .
C30 C 0.3922(2) 0.2336(3) 0.18864(14) 0.0704(10) Uani 1 1 d . . .
H30C H 0.3706 0.2336 0.2283 0.084 Uiso 1 1 calc R . .
H30D H 0.3985 0.1458 0.1769 0.084 Uiso 1 1 calc R . .
C31 C 0.4783(2) 0.2913(4) 0.19160(17) 0.0944(13) Uani 1 1 d . . .
H31C H 0.5015 0.2919 0.1529 0.142 Uiso 1 1 calc R . .
H31D H 0.5144 0.2426 0.2178 0.142 Uiso 1 1 calc R . .
H31E H 0.4745 0.3766 0.2060 0.142 Uiso 1 1 calc R . .
Cl1 Cl 0.36306(5) 0.30351(7) 0.04820(3) 0.0613(2) Uani 1 1 d . . .
Cl2 Cl 0.54772(4) 0.52051(8) 0.06674(2) 0.0540(2) Uani 1 1 d . . .
Cr1 Cr 0.40718(2) 0.51797(4) 0.027776(15) 0.03879(12) Uani 1 1 d . . .
N1 N 0.29044(12) 0.48034(19) 0.15135(7) 0.0357(5) Uani 1 1 d . . .
N2 N 0.27272(11) 0.6862(2) 0.07652(7) 0.0376(5) Uani 1 1 d . . .
P1 P 0.33790(4) 0.58645(6) 0.11431(2) 0.03341(15) Uani 1 1 d . . .
P2 P 0.30012(4) 0.67466(7) 0.00637(2) 0.04052(18) Uani 1 1 d . . .
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'
Al Al 0.0645 0.0514 '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'
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
C33A C28A C29A 120.0 .
C33A C28A C34A 122.1(4) .
C29A C28A C34A 117.9(4) .
C32A C33A C28A 120.0 .
C33A C32A C31A 120.0 .
C30A C31A C32A 120.0 .
C29A C30A C31A 120.0 .
C30A C29A C28A 120.0 .
C29B C28B C33B 120.0 .
C29B C28B C34B 118.6(5) .
C33B C28B C34B 121.3(5) .
C28B C29B C30B 120.0 .
C31B C30B C29B 120.0 .
C30B C31B C32B 120.0 .
C33B C32B C31B 120.0 .
C32B C33B C28B 120.0 .
C14A C13A C12 115.0(5) .
C15A C14A C13A 108.8(6) .
C14B C13B C12 102.9(5) .
C13B C14B C15B 114.6(6) .
N1 Al1 C30 113.26(13) .
N1 Al1 C28 116.53(12) .
C30 Al1 C28 114.21(15) .
N1 Al1 Cl1 104.02(6) .
C30 Al1 Cl1 104.39(10) .
C28 Al1 Cl1 102.32(9) .
N1 C1 C3 110.85(19) .
N1 C1 C2 111.6(2) .
C3 C1 C2 110.4(2) .
C5 C4 C9 118.1(2) .
C5 C4 P1 121.04(19) .
C9 C4 P1 120.39(17) .
C6 C5 C4 120.8(2) .
C7 C6 C5 120.1(2) .
C8 C7 C6 119.8(2) .
C7 C8 C9 120.7(2) .
C8 C9 C4 120.6(2) .
N2 C10 C11 115.9(2) .
C10 C11 C12 111.8(2) .
C13B C12 C11 125.4(4) .
C11 C12 C13A 106.7(3) .
C21 C16 C17 118.6(3) .
C21 C16 P2 117.3(2) .
C17 C16 P2 124.06(19) .
C18 C17 C16 120.4(2) .
C19 C18 C17 120.6(3) .
C20 C19 C18 119.6(3) .
C19 C20 C21 120.6(3) .
C20 C21 C16 120.3(3) .
C23 C22 C27 120.0 .
C23 C22 P2 121.85(11) .
C27 C22 P2 118.01(11) .
C24 C23 C22 120.0 .
C23 C24 C25 120.0 .
C26 C25 C24 120.0 .
C27 C26 C25 120.0 .
C26 C27 C22 120.0 .
C29 C28 Al1 118.3(2) .
C31 C30 Al1 118.6(2) .
Al1 Cl1 Cr1 105.91(4) .
Cr1 Cl2 Cr1 87.80(3) 3_665
Cl2 Cr1 Cl2 92.20(3) 3_665
Cl2 Cr1 P1 167.31(3) 3_665
Cl2 Cr1 P1 97.81(3) .
Cl2 Cr1 P2 99.60(3) 3_665
Cl2 Cr1 P2 135.54(3) .
P1 Cr1 P2 67.77(3) .
Cl2 Cr1 Cl1 96.37(3) 3_665
Cl2 Cr1 Cl1 102.18(3) .
P1 Cr1 Cl1 89.15(3) .
P2 Cr1 Cl1 118.63(3) .
C1 N1 P1 119.75(17) .
C1 N1 Al1 118.77(15) .
P1 N1 Al1 121.48(10) .
C10 N2 P2 126.89(16) .
C10 N2 P1 125.80(15) .
P2 N2 P1 105.56(11) .
N1 P1 N2 114.62(10) .
N1 P1 C4 109.20(10) .
N2 P1 C4 102.49(11) .
N1 P1 Cr1 116.88(8) .
N2 P1 Cr1 93.34(6) .
C4 P1 Cr1 118.51(7) .
N2 P2 C22 107.76(9) .
N2 P2 C16 109.60(11) .
C22 P2 C16 105.17(10) .
N2 P2 Cr1 93.31(8) .
C22 P2 Cr1 122.23(8) .
C16 P2 Cr1 117.40(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C28A C33A 1.3900 .
C28A C29A 1.3900 .
C28A C34A 1.529(7) .
C33A C32A 1.3900 .
C32A C31A 1.3900 .
C31A C30A 1.3900 .
C30A C29A 1.3900 .
C28B C29B 1.3900 .
C28B C33B 1.3900 .
C28B C34B 1.480(8) .
C29B C30B 1.3900 .
C30B C31B 1.3900 .
C31B C32B 1.3900 .
C32B C33B 1.3900 .
C13A C14A 1.523(4) .
C13A C12 1.526(3) .
C14A C15A 1.520(4) .
C13B C14B 1.521(4) .
C13B C12 1.521(3) .
C14B C15B 1.522(3) .
Al1 N1 1.895(2) .
Al1 C30 1.965(3) .
Al1 C28 1.967(3) .
Al1 Cl1 2.2722(11) .
C1 N1 1.500(3) .
C1 C3 1.515(3) .
C1 C2 1.523(3) .
C4 C5 1.394(3) .
C4 C9 1.394(3) .
C4 P1 1.818(3) .
C5 C6 1.383(4) .
C6 C7 1.374(4) .
C7 C8 1.374(3) .
C8 C9 1.375(4) .
C10 N2 1.478(3) .
C10 C11 1.515(4) .
C11 C12 1.522(4) .
C16 C21 1.390(3) .
C16 C17 1.392(4) .
C16 P2 1.811(3) .
C17 C18 1.379(4) .
C18 C19 1.374(4) .
C19 C20 1.373(4) .
C20 C21 1.383(4) .
C22 C23 1.3900 .
C22 C27 1.3900 .
C22 P2 1.8045(15) .
C23 C24 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.3900 .
C28 C29 1.532(5) .
C30 C31 1.517(5) .
Cl1 Cr1 2.4654(10) .
Cl2 Cr1 2.3595(8) 3_665
Cl2 Cr1 2.4090(10) .
Cr1 Cl2 2.3595(8) 3_665
Cr1 P1 2.4327(9) .
Cr1 P2 2.4508(9) .
N1 P1 1.631(2) .
N2 P2 1.6977(18) .
N2 P1 1.721(2) .
