#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:25:19 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178650 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/61/4076171.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_4076171
loop_
_publ_author_name
'Crewdson, Patrick'
'Gambarotta, Sandro'
'Djoman, Marie-Charlotte'
'Korobkov, Ilia'
'Duchateau, Robbert'
_publ_section_title
;
 Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5214
_journal_paper_doi               10.1021/om050699n
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C51 H55 Cl Cr Li N3 O3'
_chemical_formula_weight         852.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.88(10)
_cell_length_b                   22.13(12)
_cell_length_c                   11.15(6)
_cell_measurement_reflns_used    217
_cell_measurement_temperature    211(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      1.84
_cell_volume                     4659(4)
_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      211(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0946
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            16401
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.347
_exptl_absorpt_correction_T_max  0.9662
_exptl_absorpt_correction_T_min  0.8883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         3428
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0636P)²+2.1114P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                2442
_reflns_number_total             3428
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050699nsi20050812_113600.cif
_cod_data_source_block           sg2352a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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        4658(44)
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4076171
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, 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
Cr1 Cr 0.36474(5) 0.2500 0.10582(7) 0.0310(3) Uani 1 2 d S . .
Cl1 Cl 0.32813(8) 0.2500 0.30809(12) 0.0427(4) Uani 1 2 d S A .
N1 N 0.3652(2) 0.2500 -0.0950(3) 0.0259(10) Uani 1 2 d S . .
N2 N 0.38971(16) 0.34018(13) 0.0984(2) 0.0328(8) Uani 1 1 d . . .
C1 C 0.4417(3) 0.2500 -0.1274(5) 0.0348(14) Uani 1 2 d S . .
H1A H 0.4619 0.2894 -0.1102 0.052 Uiso 0.50 1 calc PR . .
H1B H 0.4468 0.2412 -0.2122 0.052 Uiso 0.50 1 calc PR . .
H1C H 0.4662 0.2194 -0.0809 0.052 Uiso 0.50 1 calc PR . .
C2 C 0.25332(19) 0.28240(16) -0.1244(3) 0.0297(9) Uani 1 1 d . . .
H2 H 0.2131 0.3070 -0.1327 0.036 Uiso 1 1 calc R . .
C3 C 0.32064(18) 0.30238(15) -0.1105(3) 0.0249(9) Uani 1 1 d . . .
C4 C 0.35032(19) 0.36708(16) -0.1131(3) 0.0284(9) Uani 1 1 d . . .
C5 C 0.4536(2) 0.4101(2) -0.2407(4) 0.0531(13) Uani 1 1 d . . .
H5A H 0.4711 0.4298 -0.1721 0.064 Uiso 1 1 calc R . .
C6 C 0.4890(3) 0.4172(2) -0.3497(4) 0.0728(16) Uani 1 1 d . . .
H6A H 0.5296 0.4417 -0.3531 0.087 Uiso 1 1 calc R . .
C7 C 0.4654(3) 0.3891(2) -0.4527(4) 0.0609(14) Uani 1 1 d . . .
H7A H 0.4892 0.3943 -0.5260 0.073 Uiso 1 1 calc R . .
C8 C 0.4060(3) 0.3531(2) -0.4451(4) 0.0552(13) Uani 1 1 d . . .
H8A H 0.3895 0.3330 -0.5139 0.066 Uiso 1 1 calc R . .
C9 C 0.3705(2) 0.34630(18) -0.3375(3) 0.0431(11) Uani 1 1 d . . .
H9A H 0.3297 0.3219 -0.3353 0.052 Uiso 1 1 calc R . .
C10 C 0.3931(2) 0.37447(16) -0.2312(3) 0.0302(9) Uani 1 1 d . . .
C11 C 0.2648(2) 0.44579(18) -0.2117(4) 0.0429(11) Uani 1 1 d . . .
H11A H 0.2899 0.4421 -0.2841 0.052 Uiso 1 1 calc R . .
C12 C 0.2073(2) 0.4859(2) -0.2050(5) 0.0541(13) Uani 1 1 d . . .
H12A H 0.1951 0.5095 -0.2719 0.065 Uiso 1 1 calc R . .
C13 C 0.1690(2) 0.49053(19) -0.1013(5) 0.0541(13) Uani 1 1 d . . .
H13A H 0.1300 0.5169 -0.0974 0.065 Uiso 1 1 calc R . .
C14 C 0.1876(2) 0.4563(2) -0.0017(4) 0.0506(12) Uani 1 1 d . . .
H14A H 0.1613 0.4596 0.0695 0.061 Uiso 1 1 calc R . .
C15 C 0.2453(2) 0.41723(18) -0.0075(4) 0.0423(11) Uani 1 1 d . . .
H15A H 0.2576 0.3943 0.0603 0.051 Uiso 1 1 calc R . .
C16 C 0.28522(19) 0.41138(17) -0.1127(3) 0.0310(9) Uani 1 1 d . . .
C17 C 0.39208(19) 0.38072(17) 0.0029(3) 0.0304(9) Uani 1 1 d . . .
C18 C 0.4249(2) 0.43364(17) 0.0385(3) 0.0356(10) Uani 1 1 d . . .
H18A H 0.4326 0.4680 -0.0093 0.043 Uiso 1 1 calc R . .
C19 C 0.4448(2) 0.42645(18) 0.1603(4) 0.0403(11) Uani 1 1 d . . .
H19A H 0.4683 0.4549 0.2088 0.048 Uiso 1 1 calc R . .
C20 C 0.4232(2) 0.37011(19) 0.1927(3) 0.0394(11) Uani 1 1 d . . .
H20A H 0.4300 0.3534 0.2694 0.047 Uiso 1 1 calc R . .
Li1 Li 0.2121(6) 0.2500 0.3878(10) 0.056(3) Uani 1 2 d S . .
O1 O 0.1448(3) 0.252(2) 0.2588(6) 0.095(3) Uani 1 2 d S A -1
C21 C 0.1592(6) 0.2732(10) 0.1432(10) 0.154(12) Uani 0.50 1 d PU A -1
H21A H 0.1970 0.2490 0.1069 0.185 Uiso 1 2 calc SR A -1
H21B H 0.1749 0.3153 0.1468 0.185 Uiso 0.50 1 calc PR A -1
C22 C 0.0958(6) 0.2687(12) 0.0718(11) 0.144(10) Uani 0.50 1 d PU A -1
H22A H 0.0813 0.3088 0.0438 0.173 Uiso 0.50 1 calc PR A -1
H22B H 0.1042 0.2430 0.0017 0.173 Uiso 0.50 1 calc PR A -1
C23 C 0.0424(5) 0.243(3) 0.1458(9) 0.105(8) Uani 0.50 1 d PU A -1
H23A H 0.0388 0.1994 0.1352 0.126 Uiso 0.50 1 calc PR A -1
H23B H -0.0040 0.2618 0.1314 0.126 Uiso 0.50 1 calc PR A -1
C24 C 0.0712(5) 0.2594(12) 0.2662(10) 0.125(7) Uani 0.50 1 d PU A -1
H24A H 0.0593 0.3013 0.2863 0.150 Uiso 0.50 1 calc PR A -1
H24B H 0.0514 0.2328 0.3280 0.150 Uiso 0.50 1 calc PR A -1
O2 O 0.2006(12) 0.3215(14) 0.488(2) 0.061(5) Uani 0.69 1 d P A 2
C25 C 0.2226(5) 0.3788(5) 0.4362(9) 0.058(3) Uani 0.69 1 d PU A 2
H25A H 0.2462 0.3723 0.3590 0.070 Uiso 0.69 1 calc PR A 2
H25B H 0.2554 0.3999 0.4900 0.070 Uiso 0.69 1 calc PR A 2
C26 C 0.1549(9) 0.4158(7) 0.4192(11) 0.076(4) Uani 0.69 1 d PU A 2
H26A H 0.1641 0.4594 0.4234 0.092 Uiso 0.69 1 calc PR A 2
H26B H 0.1311 0.4062 0.3435 0.092 Uiso 0.69 1 calc PR A 2
C27 C 0.1139(13) 0.3938(12) 0.5255(17) 0.077(4) Uani 0.69 1 d PU A 2
H27A H 0.0658 0.3825 0.5013 0.092 Uiso 0.69 1 calc PR A 2
H27B H 0.1107 0.4256 0.5863 0.092 Uiso 0.69 1 calc PR A 2
C28 C 0.1520(8) 0.3397(7) 0.5757(11) 0.064(3) Uani 0.69 1 d PU A 2
H28A H 0.1766 0.3505 0.6501 0.077 Uiso 0.69 1 calc PR A 2
H28B H 0.1184 0.3071 0.5929 0.077 Uiso 0.69 1 calc PR A 2
O2' O 0.186(3) 0.322(3) 0.457(5) 0.088(16) Uani 0.31 1 d P A 3
C25' C 0.1972(15) 0.3741(13) 0.381(2) 0.078(7) Uani 0.31 1 d PU A 3
H25C H 0.1704 0.3716 0.3061 0.094 Uiso 0.31 1 calc PR A 3
H25D H 0.2475 0.3811 0.3638 0.094 Uiso 0.31 1 calc PR A 3
C26' C 0.166(2) 0.4229(18) 0.470(3) 0.082(7) Uani 0.31 1 d PU A 3
H26C H 0.1432 0.4550 0.4232 0.099 Uiso 0.31 1 calc PR A 3
H26D H 0.2047 0.4411 0.5156 0.099 Uiso 0.31 1 calc PR A 3
C27' C 0.112(3) 0.398(2) 0.557(4) 0.078(7) Uani 0.31 1 d PU A 3
H27C H 0.0635 0.4073 0.5340 0.093 Uiso 0.31 1 calc PR A 3
H27D H 0.1209 0.4112 0.6397 0.093 Uiso 0.31 1 calc PR A 3
C28' C 0.1296(19) 0.3290(17) 0.540(3) 0.084(8) Uani 0.31 1 d PU A 3
H28C H 0.1430 0.3111 0.6174 0.101 Uiso 0.31 1 calc PR A 3
H28D H 0.0876 0.3077 0.5104 0.101 Uiso 0.31 1 calc PR A 3
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'
O O 0.0106 0.0060 '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'
Li Li -0.0003 0.0001 '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
_geom_angle_site_symmetry_3
N2 Cr1 N2 153.0(3) . 7_565
N2 Cr1 N1 87.64(9) . .
N2 Cr1 N1 87.64(9) 7_565 .
N2 Cr1 Cl1 96.07(9) . .
N2 Cr1 Cl1 96.07(9) 7_565 .
N1 Cr1 Cl1 163.19(17) . .
Cr1 Cl1 Li1 129.1(3) . .
C3 N1 C3 106.9(6) . 7_565
C3 N1 C1 122.4(3) . .
C3 N1 C1 122.4(3) 7_565 .
C3 N1 Cr1 96.8(2) . .
C3 N1 Cr1 96.8(2) 7_565 .
C1 N1 Cr1 104.3(3) . .
C17 N2 C20 104.8(5) . .
C17 N2 Cr1 131.6(3) . .
C20 N2 Cr1 122.4(3) . .
C3 C2 C2 109.1(2) . 7_565
C2 C3 N1 107.4(5) . .
C2 C3 C4 130.1(3) . .
N1 C3 C4 122.6(5) . .
C3 C4 C17 110.6(3) . .
C3 C4 C10 107.7(3) . .
C17 C4 C10 115.1(5) . .
C3 C4 C16 107.2(5) . .
C17 C4 C16 105.9(4) . .
C10 C4 C16 110.1(3) . .
C6 C5 C10 121.6(4) . .
C7 C6 C5 121.2(5) . .
C8 C7 C6 118.3(5) . .
C7 C8 C9 120.7(4) . .
C8 C9 C10 122.4(5) . .
C5 C10 C9 115.8(4) . .
C5 C10 C4 123.5(4) . .
C9 C10 C4 120.6(5) . .
C16 C11 C12 121.1(4) . .
C13 C12 C11 120.1(5) . .
C12 C13 C14 120.0(5) . .
C13 C14 C15 120.0(5) . .
C14 C15 C16 121.2(4) . .
C15 C16 C11 117.6(5) . .
C15 C16 C4 118.8(4) . .
C11 C16 C4 123.6(4) . .
C18 C17 N2 109.9(4) . .
C18 C17 C4 129.4(3) . .
N2 C17 C4 119.8(4) . .
C17 C18 C19 107.4(4) . .
C20 C19 C18 106.1(4) . .
C19 C20 N2 111.8(4) . .
O2' Li1 O2' 121(4) . 7_565
O2' Li1 O1 97(2) . .
O2' Li1 O1 99.1(19) 7_565 .
O2' Li1 O2 13(2) . .
O2' Li1 O2 115.7(13) 7_565 .
O1 Li1 O2 109.7(15) . .
O2' Li1 O2 115.7(13) . 7_565
O2' Li1 O2 13(2) 7_565 7_565
O1 Li1 O2 112.1(14) . 7_565
O2 Li1 O2 108.4(18) . 7_565
O2' Li1 Cl1 113.8(19) . .
O2' Li1 Cl1 113.8(19) 7_565 .
O1 Li1 Cl1 109.4(6) . .
O2 Li1 Cl1 108.6(9) . .
O2 Li1 Cl1 108.6(9) 7_565 .
O2' Li1 C25' 28(2) . .
O2' Li1 C25' 148(2) 7_565 .
O1 Li1 C25' 83.6(15) . .
O2 Li1 C25' 36.6(10) . .
O2 Li1 C25' 144.1(11) 7_565 .
Cl1 Li1 C25' 94.8(6) . .
O2' Li1 C25' 148(2) . 7_565
O2' Li1 C25' 28(2) 7_565 7_565
O1 Li1 C25' 86.3(15) . 7_565
O2 Li1 C25' 144.1(11) . 7_565
O2 Li1 C25' 36.6(10) 7_565 7_565
Cl1 Li1 C25' 94.8(6) . 7_565
C25' Li1 C25' 167.9(13) . 7_565
C24 O1 C21 102.0(13) . .
C24 O1 Li1 127.9(9) . .
C21 O1 Li1 124.8(11) . .
O1 C21 C22 109.1(11) . .
C23 C22 C21 107.1(12) . .
C22 C23 C24 100(2) . .
O1 C24 C23 106.3(11) . .
C28 O2 C25 102(2) . .
C28 O2 Li1 135.1(19) . .
C25 O2 Li1 116.5(18) . .
O2 C25 C26 106.2(14) . .
C27 C26 C25 99.1(13) . .
C26 C27 C28 107.8(14) . .
O2 C28 C27 106.6(15) . .
C28' O2' C25' 114(5) . .
C28' O2' Li1 124(4) . .
C25' O2' Li1 114(4) . .
O2' C25' C26' 97(3) . .
O2' C25' Li1 38(3) . .
C26' C25' Li1 134(2) . .
C25' C26' C27' 114(3) . .
C26' C27' C28' 98(3) . .
O2' C28' C27' 110(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N2 2.053(11) .
Cr1 N2 2.053(11) 7_565
Cr1 N1 2.239(13) .
Cr1 Cl1 2.359(12) .
Cl1 Li1 2.363(15) .
N1 C3 1.443(7) .
N1 C3 1.443(7) 7_565
N1 C1 1.488(10) .
N2 C17 1.393(7) .
N2 C20 1.394(7) .
C2 C3 1.354(8) .
C2 C2 1.434(10) 7_565
C3 C4 1.538(9) .
C4 C17 1.545(8) .
C4 C10 1.553(8) .
C4 C16 1.572(8) .
C5 C6 1.396(8) .
C5 C10 1.392(8) .
C6 C7 1.380(8) .
C7 C8 1.376(8) .
C8 C9 1.383(8) .
C9 C10 1.406(8) .
C11 C16 1.396(7) .
C11 C12 1.403(8) .
C12 C13 1.367(8) .
C13 C14 1.388(8) .
C14 C15 1.392(8) .
C15 C16 1.400(8) .
C17 C18 1.383(7) .
C18 C19 1.418(9) .
C19 C20 1.361(8) .
Li1 O2' 1.84(7) .
Li1 O2' 1.84(7) 7_565
Li1 O1 1.920(15) .
Li1 O2 1.95(3) .
Li1 O2 1.95(3) 7_565
Li1 C25' 2.76(3) .
Li1 C25' 2.76(3) 7_565
O1 C24 1.402(14) .
O1 C21 1.396(19) .
C21 C22 1.440(15) .
C22 C23 1.42(3) .
C23 C24 1.492(19) .
O2 C28 1.40(3) .
O2 C25 1.46(3) .
C25 C26 1.53(2) .
C26 C27 1.50(2) .
C27 C28 1.50(3) .
O2' C28' 1.42(7) .
O2' C25' 1.44(7) .
C25' C26' 1.58(5) .
C26' C27' 1.51(5) .
C27' C28' 1.57(7) .
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_4
N2 Cr1 Cl1 Li1 102.06(12) . .
N2 Cr1 Cl1 Li1 -102.06(12) 7_565 .
N1 Cr1 Cl1 Li1 0.0 . .
N2 Cr1 N1 C3 -49.3(4) . .
N2 Cr1 N1 C3 157.3(2) 7_565 .
Cl1 Cr1 N1 C3 54.0(3) . .
N2 Cr1 N1 C3 -157.3(2) . 7_565
N2 Cr1 N1 C3 49.3(4) 7_565 7_565
Cl1 Cr1 N1 C3 -54.0(3) . 7_565
N2 Cr1 N1 C1 76.73(13) . .
N2 Cr1 N1 C1 -76.73(13) 7_565 .
Cl1 Cr1 N1 C1 180.0 . .
N2 Cr1 N2 C17 89.3(5) 7_565 .
N1 Cr1 N2 C17 9.2(3) . .
Cl1 Cr1 N2 C17 -154.4(4) . .
N2 Cr1 N2 C20 -76.5(5) 7_565 .
N1 Cr1 N2 C20 -156.6(3) . .
Cl1 Cr1 N2 C20 39.8(4) . .
C2 C2 C3 N1 -2.9(3) 7_565 .
C2 C2 C3 C4 175.3(3) 7_565 .
C3 N1 C3 C2 4.6(5) 7_565 .
C1 N1 C3 C2 153.7(4) . .
Cr1 N1 C3 C2 -94.6(3) . .
C3 N1 C3 C4 -173.7(2) 7_565 .
C1 N1 C3 C4 -24.6(5) . .
Cr1 N1 C3 C4 87.0(3) . .
C2 C3 C4 C17 125.1(4) . .
N1 C3 C4 C17 -56.9(4) . .
C2 C3 C4 C10 -108.4(5) . .
N1 C3 C4 C10 69.6(5) . .
C2 C3 C4 C16 10.0(5) . .
N1 C3 C4 C16 -172.0(3) . .
C10 C5 C6 C7 -0.1(8) . .
C5 C6 C7 C8 -0.5(8) . .
C6 C7 C8 C9 1.1(7) . .
C7 C8 C9 C10 -1.0(7) . .
C6 C5 C10 C9 0.2(6) . .
C6 C5 C10 C4 -177.6(4) . .
C8 C9 C10 C5 0.3(6) . .
C8 C9 C10 C4 178.2(4) . .
C3 C4 C10 C5 -146.2(4) . .
C17 C4 C10 C5 -22.4(5) . .
C16 C4 C10 C5 97.2(6) . .
C3 C4 C10 C9 36.1(4) . .
C17 C4 C10 C9 159.9(3) . .
C16 C4 C10 C9 -80.5(6) . .
C16 C11 C12 C13 -1.8(6) . .
C11 C12 C13 C14 1.1(7) . .
C12 C13 C14 C15 -0.1(7) . .
C13 C14 C15 C16 -0.2(6) . .
C14 C15 C16 C11 -0.6(6) . .
C14 C15 C16 C4 179.2(4) . .
C12 C11 C16 C15 1.6(6) . .
C12 C11 C16 C4 -178.2(4) . .
C3 C4 C16 C15 71.3(4) . .
C17 C4 C16 C15 -46.9(5) . .
C10 C4 C16 C15 -171.8(3) . .
C3 C4 C16 C11 -108.9(4) . .
C17 C4 C16 C11 132.9(5) . .
C10 C4 C16 C11 7.9(5) . .
C20 N2 C17 C18 -0.8(4) . .
Cr1 N2 C17 C18 -168.5(3) . .
C20 N2 C17 C4 -171.1(3) . .
Cr1 N2 C17 C4 21.2(5) . .
C3 C4 C17 C18 -177.5(4) . .
C10 C4 C17 C18 60.2(5) . .
C16 C4 C17 C18 -61.6(6) . .
C3 C4 C17 N2 -9.3(5) . .
C10 C4 C17 N2 -131.6(3) . .
C16 C4 C17 N2 106.6(5) . .
N2 C17 C18 C19 0.7(4) . .
C4 C17 C18 C19 169.8(4) . .
C17 C18 C19 C20 -0.2(4) . .
C18 C19 C20 N2 -0.3(5) . .
C17 N2 C20 C19 0.7(4) . .
Cr1 N2 C20 C19 169.8(3) . .
Cr1 Cl1 Li1 O2' -108.4(19) . .
Cr1 Cl1 Li1 O2' 108.4(19) . 7_565
Cr1 Cl1 Li1 O1 -1.4(15) . .
Cr1 Cl1 Li1 O2 -121.2(9) . .
Cr1 Cl1 Li1 O2 121.2(9) . 7_565
Cr1 Cl1 Li1 C25' -86.4(6) . .
Cr1 Cl1 Li1 C25' 86.4(6) . 7_565
O2' Li1 O1 C24 -54(4) . .
O2' Li1 O1 C24 69(4) 7_565 .
O2 Li1 O1 C24 -53(4) . .
O2 Li1 O1 C24 67(4) 7_565 .
Cl1 Li1 O1 C24 -172(3) . .
C25' Li1 O1 C24 -79(4) . .
C25' Li1 O1 C24 94(4) 7_565 .
O2' Li1 O1 C21 96(4) . .
O2' Li1 O1 C21 -142(4) 7_565 .
O2 Li1 O1 C21 96(3) . .
O2 Li1 O1 C21 -143(3) 7_565 .
Cl1 Li1 O1 C21 -23(4) . .
C25' Li1 O1 C21 70(3) . .
C25' Li1 O1 C21 -116(3) 7_565 .
C24 O1 C21 C22 -23(3) . .
Li1 O1 C21 C22 -179(3) . .
O1 C21 C22 C23 -1(4) . .
C21 C22 C23 C24 23(4) . .
C21 O1 C24 C23 38(4) . .
Li1 O1 C24 C23 -167(4) . .
C22 C23 C24 O1 -39(4) . .
O2' Li1 O2 C28 80(12) . .
O2' Li1 O2 C28 -35(2) 7_565 .
O1 Li1 O2 C28 76(2) . .
O2 Li1 O2 C28 -46(3) 7_565 .
Cl1 Li1 O2 C28 -164(2) . .
C25' Li1 O2 C28 123(3) . .
C25' Li1 O2 C28 -36(3) 7_565 .
O2' Li1 O2 C25 -67(12) . .
O2' Li1 O2 C25 178(3) 7_565 .
O1 Li1 O2 C25 -70.5(17) . .
O2 Li1 O2 C25 166.9(7) 7_565 .
Cl1 Li1 O2 C25 49.1(15) . .
C25' Li1 O2 C25 -23.3(13) . .
C25' Li1 O2 C25 177.2(14) 7_565 .
C28 O2 C25 C26 -43.9(17) . .
Li1 O2 C25 C26 112.7(14) . .
O2 C25 C26 C27 33.4(18) . .
C25 C26 C27 C28 -11.6(18) . .
C25 O2 C28 C27 35.1(19) . .
Li1 O2 C28 C27 -115(2) . .
C26 C27 C28 O2 -14(2) . .
O2' Li1 O2' C28' -20(6) 7_565 .
O1 Li1 O2' C28' 85(4) . .
O2 Li1 O2' C28' -92(14) . .
O2 Li1 O2' C28' -34(4) 7_565 .
Cl1 Li1 O2' C28' -161(3) . .
C25' Li1 O2' C28' 148(6) . .
C25' Li1 O2' C28' -9(6) 7_565 .
O2' Li1 O2' C25' -167.8(15) 7_565 .
O1 Li1 O2' C25' -63(3) . .
O2 Li1 O2' C25' 121(14) . .
O2 Li1 O2' C25' 178(3) 7_565 .
Cl1 Li1 O2' C25' 52(4) . .
C25' Li1 O2' C25' -157(3) 7_565 .
C28' O2' C25' C26' 27(4) . .
Li1 O2' C25' C26' 177(3) . .
C28' O2' C25' Li1 -151(6) . .
O2' Li1 C25' O2' 20(3) 7_565 .
O1 Li1 C25' O2' 117(4) . .
O2 Li1 C25' O2' -19(4) . .
O2 Li1 C25' O2' -2(5) 7_565 .
Cl1 Li1 C25' O2' -134(3) . .
C25' Li1 C25' O2' 83(6) 7_565 .
O2' Li1 C25' C26' -4(4) . .
O2' Li1 C25' C26' 16(5) 7_565 .
O1 Li1 C25' C26' 113(3) . .
O2 Li1 C25' C26' -23(3) . .
O2 Li1 C25' C26' -6(4) 7_565 .
Cl1 Li1 C25' C26' -138(3) . .
C25' Li1 C25' C26' 79(6) 7_565 .
O2' C25' C26' C27' -26(5) . .
Li1 C25' C26' C27' -24(5) . .
C25' C26' C27' C28' 15(5) . .
C25' O2' C28' C27' -20(5) . .
Li1 O2' C28' C27' -167(4) . .
C26' C27' C28' O2' 1(5) . .
