#------------------------------------------------------------------------------
#$Date: 2022-05-05 23:35:21 +0300 (Thu, 05 May 2022) $
#$Revision: 274979 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/94/7709411.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_7709411
loop_
_publ_author_name
'Ahmed, Naushad'
'Uddin Ansari, Kamal'
_publ_section_title
;
 Experimental and theoretical insights into Co-Ln magnetic exchange and
 the rare slow-magnetic relaxation behavior of [CoII2Pr]²⁺ in a
 series of linear [CoII2Ln]²⁺ complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4122
_journal_page_last               4134
_journal_paper_doi               10.1039/d1dt03573h
_journal_volume                  51
_journal_year                    2022
_chemical_formula_sum            'C60 H56 Co2 N7 O21 Pr'
_chemical_formula_weight         1469.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-09-24 deposited with the CCDC.	2022-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                92.052(11)
_cell_angle_beta                 92.0120(10)
_cell_angle_gamma                118.729(16)
_cell_formula_units_Z            2
_cell_length_a                   12.746(3)
_cell_length_b                   13.250(3)
_cell_length_c                   21.758(6)
_cell_measurement_reflns_used    10046
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      3.1
_cell_volume                     3214.4(15)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            55892
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.143
_diffrn_reflns_theta_min         3.080
_diffrn_source                   MicroMax003_Mo
_exptl_absorpt_coefficient_mu    1.336
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'orange Red'
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_refine_diff_density_max         1.411
_refine_diff_density_min         -1.710
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     822
_refine_ls_number_reflns         17178
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0304P)²+8.2359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1205
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15342
_reflns_number_total             17178
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03573h2.cif
_cod_data_source_block           Co2Pr_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Numerical' was
changed to 'numerical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7709409--7709411.cif.
;
_cod_original_cell_volume        3214.4(14)
_cod_database_code               7709411
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.652
_shelx_estimated_absorpt_t_max   0.767
loop_
_space_group_symop_operation_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_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
Pr Pr 0.22428(2) 0.11453(2) 0.26092(2) 0.01419(6) Uani 1 1 d . . . . .
Co2 Co -0.09648(4) -0.02217(4) 0.21215(2) 0.01426(10) Uani 1 1 d . . . . .
Co1 Co 0.54359(4) 0.29493(4) 0.31096(2) 0.01485(10) Uani 1 1 d . . . . .
C11 C -0.1538(3) -0.0954(3) 0.35860(15) 0.0161(7) Uani 1 1 d . . . . .
C12 C -0.1839(3) -0.1433(3) 0.41676(16) 0.0180(7) Uani 1 1 d . . . . .
H12A H -0.2655 -0.1816 0.4267 0.022 Uiso 1 1 calc R U . . .
C13 C -0.0974(3) -0.1355(3) 0.45899(16) 0.0206(8) Uani 1 1 d . . . . .
H13A H -0.1193 -0.1690 0.4975 0.025 Uiso 1 1 calc R U . . .
C14 C 0.0232(3) -0.0782(3) 0.44506(16) 0.0191(7) Uani 1 1 d . . . . .
H14A H 0.0832 -0.0739 0.4738 0.023 Uiso 1 1 calc R U . . .
C15 C 0.0547(3) -0.0279(3) 0.38965(16) 0.0161(7) Uani 1 1 d . . . . .
C16 C -0.0318(3) -0.0339(3) 0.34448(15) 0.0145(7) Uani 1 1 d . . . . .
C17 C -0.2541(3) -0.1152(3) 0.31727(16) 0.0178(7) Uani 1 1 d . . . . .
H17A H -0.3314 -0.1511 0.3333 0.021 Uiso 1 1 calc R U . . .
C18 C -0.3560(3) -0.1138(3) 0.22524(17) 0.0190(7) Uani 1 1 d . . . . .
C19 C -0.4509(3) -0.2255(3) 0.21608(18) 0.0225(8) Uani 1 1 d . . . . .
H19A H -0.4498 -0.2870 0.2367 0.027 Uiso 1 1 calc R U . . .
C20 C -0.5477(4) -0.2456(4) 0.17613(19) 0.0270(9) Uani 1 1 d . . . . .
H20A H -0.6130 -0.3216 0.1693 0.032 Uiso 1 1 calc R U . . .
C21 C -0.5495(4) -0.1560(4) 0.14624(19) 0.0294(9) Uani 1 1 d . . . . .
H21A H -0.6152 -0.1710 0.1185 0.035 Uiso 1 1 calc R U . . .
C22 C -0.4557(3) -0.0443(4) 0.15665(19) 0.0268(9) Uani 1 1 d . . . . .
H22A H -0.4582 0.0169 0.1364 0.032 Uiso 1 1 calc R U . . .
C23 C -0.3572(3) -0.0212(3) 0.19696(18) 0.0217(8) Uani 1 1 d . . . . .
C24 C -0.2559(3) 0.0998(3) 0.21111(19) 0.0232(8) Uani 1 1 d . . . . .
H24A H -0.2742 0.1544 0.1895 0.028 Uiso 1 1 calc R U . . .
H24B H -0.2500 0.1192 0.2559 0.028 Uiso 1 1 calc R U . . .
C25 C 0.2615(3) 0.0308(4) 0.41548(18) 0.0251(8) Uani 1 1 d . . . . .
H25A H 0.2593 0.0645 0.4559 0.038 Uiso 1 1 calc R U . . .
H25B H 0.3413 0.0755 0.3998 0.038 Uiso 1 1 calc R U . . .
H25C H 0.2443 -0.0491 0.4193 0.038 Uiso 1 1 calc R U . . .
N11 N -0.2480(3) -0.0885(3) 0.26075(14) 0.0176(6) Uani 1 1 d . . . . .
O11 O 0.0072(2) 0.0189(2) 0.29262(11) 0.0160(5) Uani 1 1 d . . . . .
O12 O 0.1725(2) 0.0331(2) 0.37314(11) 0.0175(5) Uani 1 1 d . . . . .
O13 O -0.1420(2) 0.1138(2) 0.19285(12) 0.0185(5) Uani 1 1 d . . . . .
H13 H -0.0882 0.1803 0.1729 0.022 Uiso 1 1 calc R U . . .
C31 C 0.0094(3) 0.0988(3) 0.08009(16) 0.0161(7) Uani 1 1 d . . . . .
C32 C 0.0370(3) 0.1658(3) 0.02748(16) 0.0179(7) Uani 1 1 d . . . . .
H32A H -0.0152 0.1367 -0.0086 0.021 Uiso 1 1 calc R U . . .
C33 C 0.1372(3) 0.2714(3) 0.02789(17) 0.0200(7) Uani 1 1 d . . . . .
H33A H 0.1537 0.3150 -0.0076 0.024 Uiso 1 1 calc R U . . .
C34 C 0.2158(3) 0.3155(3) 0.08050(17) 0.0198(7) Uani 1 1 d . . . . .
H34A H 0.2855 0.3888 0.0808 0.024 Uiso 1 1 calc R U . . .
C35 C 0.1907(3) 0.2513(3) 0.13187(15) 0.0154(7) Uani 1 1 d . . . . .
C36 C 0.0874(3) 0.1426(3) 0.13320(15) 0.0130(6) Uani 1 1 d . . . . .
C37 C -0.0946(3) -0.0158(3) 0.07523(16) 0.0164(7) Uani 1 1 d . . . . .
H37A H -0.1325 -0.0448 0.0354 0.020 Uiso 1 1 calc R U . . .
C38 C -0.2384(3) -0.1950(3) 0.10502(16) 0.0171(7) Uani 1 1 d . . . . .
C39 C -0.3360(3) -0.2120(3) 0.06665(16) 0.0186(7) Uani 1 1 d . . . . .
H39A H -0.3400 -0.1477 0.0513 0.022 Uiso 1 1 calc R U . . .
C40 C -0.4275(3) -0.3229(3) 0.05085(17) 0.0215(8) Uani 1 1 d . . . . .
H40A H -0.4931 -0.3346 0.0239 0.026 Uiso 1 1 calc R U . . .
C41 C -0.4230(3) -0.4168(3) 0.07455(17) 0.0238(8) Uani 1 1 d . . . . .
H41A H -0.4848 -0.4928 0.0633 0.029 Uiso 1 1 calc R U . . .
C42 C -0.3272(3) -0.3992(3) 0.11500(17) 0.0210(8) Uani 1 1 d . . . . .
H42A H -0.3256 -0.4636 0.1319 0.025 Uiso 1 1 calc R U . . .
C43 C -0.2344(3) -0.2889(3) 0.13087(16) 0.0186(7) Uani 1 1 d . . . . .
C44 C -0.1263(3) -0.2729(3) 0.17033(17) 0.0193(7) Uani 1 1 d . . . . .
H44A H -0.1422 -0.3481 0.1856 0.023 Uiso 1 1 calc R U . . .
H44B H -0.0561 -0.2455 0.1448 0.023 Uiso 1 1 calc R U . . .
C45 C 0.3660(4) 0.3962(3) 0.18989(19) 0.0255(9) Uani 1 1 d . . . . .
H45A H 0.4086 0.4107 0.2303 0.038 Uiso 1 1 calc R U . . .
H45B H 0.4187 0.3985 0.1576 0.038 Uiso 1 1 calc R U . . .
H45C H 0.3421 0.4554 0.1838 0.038 Uiso 1 1 calc R U . . .
N31 N -0.1398(3) -0.0815(2) 0.12009(13) 0.0149(6) Uani 1 1 d . . . . .
O31 O 0.0714(2) 0.0861(2) 0.18456(11) 0.0155(5) Uani 1 1 d . . . . .
O32 O 0.2605(2) 0.2840(2) 0.18685(11) 0.0188(5) Uani 1 1 d . . . . .
O33 O -0.0995(2) -0.1920(2) 0.22164(11) 0.0175(5) Uani 1 1 d . . . . .
H33 H -0.0823 -0.2107 0.2611 0.021 Uiso 1 1 calc R U . . .
C51 C 0.5964(3) 0.2771(3) 0.15939(16) 0.0165(7) Uani 1 1 d . . . . .
C52 C 0.6251(3) 0.2642(3) 0.09834(16) 0.0194(7) Uani 1 1 d . . . . .
H52A H 0.7042 0.3121 0.0863 0.023 Uiso 1 1 calc R U . . .
C53 C 0.5411(3) 0.1838(3) 0.05600(16) 0.0204(8) Uani 1 1 d . . . . .
H53A H 0.5626 0.1761 0.0154 0.025 Uiso 1 1 calc R U . . .
C54 C 0.4235(3) 0.1130(3) 0.07294(16) 0.0179(7) Uani 1 1 d . . . . .
H54A H 0.3657 0.0556 0.0444 0.022 Uiso 1 1 calc R U . . .
C55 C 0.3929(3) 0.1278(3) 0.13148(16) 0.0155(7) Uani 1 1 d . . . . .
C56 C 0.4766(3) 0.2102(3) 0.17648(15) 0.0155(7) Uani 1 1 d . . . . .
C57 C 0.6947(3) 0.3578(3) 0.20104(16) 0.0171(7) Uani 1 1 d . . . . .
H57A H 0.7701 0.4015 0.1840 0.020 Uiso 1 1 calc R U . . .
C58 C 0.7957(3) 0.4612(3) 0.29338(16) 0.0172(7) Uani 1 1 d . . . . .
C59 C 0.8969(3) 0.4473(3) 0.30165(18) 0.0214(8) Uani 1 1 d . . . . .
H59A H 0.8979 0.3816 0.2834 0.026 Uiso 1 1 calc R U . . .
C60 C 0.9956(3) 0.5297(3) 0.33653(18) 0.0243(8) Uani 1 1 d . . . . .
H60A H 1.0652 0.5212 0.3419 0.029 Uiso 1 1 calc R U . . .
C61 C 0.9934(3) 0.6252(3) 0.36393(18) 0.0235(8) Uani 1 1 d . . . . .
H61A H 1.0612 0.6814 0.3882 0.028 Uiso 1 1 calc R U . . .
C62 C 0.8915(3) 0.6383(3) 0.35568(18) 0.0228(8) Uani 1 1 d . . . . .
H62A H 0.8909 0.7042 0.3739 0.027 Uiso 1 1 calc R U . . .
C63 C 0.7910(3) 0.5557(3) 0.32099(16) 0.0174(7) Uani 1 1 d . . . . .
C64 C 0.6829(3) 0.5730(3) 0.30941(18) 0.0211(8) Uani 1 1 d . . . . .
H64A H 0.6952 0.6436 0.3329 0.025 Uiso 1 1 calc R U . . .
H64B H 0.6735 0.5831 0.2651 0.025 Uiso 1 1 calc R U . . .
C65 C 0.1953(3) -0.0309(3) 0.11095(17) 0.0221(8) Uani 1 1 d . . . . .
H65A H 0.1814 0.0000 0.0731 0.033 Uiso 1 1 calc R U . . .
H65B H 0.1194 -0.0741 0.1306 0.033 Uiso 1 1 calc R U . . .
H65C H 0.2282 -0.0824 0.1008 0.033 Uiso 1 1 calc R U . . .
N51 N 0.6891(3) 0.3757(3) 0.25919(13) 0.0157(6) Uani 1 1 d . . . . .
O51 O 0.4378(2) 0.2198(2) 0.23085(10) 0.0159(5) Uani 1 1 d . . . . .
O52 O 0.2793(2) 0.0630(2) 0.15270(11) 0.0177(5) Uani 1 1 d . . . . .
O53 O 0.5762(2) 0.4751(2) 0.32800(12) 0.0195(5) Uani 1 1 d . . . . .
H53 H 0.5180 0.4876 0.3481 0.023 Uiso 1 1 calc R U . . .
C71 C 0.4270(3) 0.3298(3) 0.44075(16) 0.0173(7) Uani 1 1 d . . . . .
C72 C 0.3918(3) 0.3744(3) 0.49111(16) 0.0192(7) Uani 1 1 d . . . . .
H72A H 0.4365 0.3932 0.5296 0.023 Uiso 1 1 calc R U . . .
C73 C 0.2928(3) 0.3907(3) 0.48493(17) 0.0214(8) Uani 1 1 d . . . . .
H73A H 0.2719 0.4233 0.5188 0.026 Uiso 1 1 calc R U . . .
C74 C 0.2228(3) 0.3598(3) 0.42912(17) 0.0202(7) Uani 1 1 d . . . . .
H74A H 0.1566 0.3738 0.4247 0.024 Uiso 1 1 calc R U . . .
C75 C 0.2514(3) 0.3090(3) 0.38097(16) 0.0166(7) Uani 1 1 d . . . . .
C76 C 0.3547(3) 0.2947(3) 0.38547(15) 0.0152(7) Uani 1 1 d . . . . .
C77 C 0.5340(3) 0.3176(3) 0.44878(16) 0.0196(7) Uani 1 1 d . . . . .
H77A H 0.5672 0.3259 0.4896 0.023 Uiso 1 1 calc R U . . .
C78 C 0.6903(3) 0.2824(3) 0.42089(17) 0.0210(8) Uani 1 1 d . . . . .
C79 C 0.7857(4) 0.3632(4) 0.45973(18) 0.0255(8) Uani 1 1 d . . . . .
H79A H 0.7845 0.4301 0.4761 0.031 Uiso 1 1 calc R U . . .
C80 C 0.8827(4) 0.3454(4) 0.4744(2) 0.0303(10) Uani 1 1 d . . . . .
H80A H 0.9472 0.3999 0.5012 0.036 Uiso 1 1 calc R U . . .
C81 C 0.8857(4) 0.2488(4) 0.4500(2) 0.0297(9) Uani 1 1 d . . . . .
H81A H 0.9517 0.2367 0.4603 0.036 Uiso 1 1 calc R U . . .
C82 C 0.7917(3) 0.1697(4) 0.41062(19) 0.0259(8) Uani 1 1 d . . . . .
H82A H 0.7945 0.1041 0.3935 0.031 Uiso 1 1 calc R U . . .
C83 C 0.6928(3) 0.1852(3) 0.39564(17) 0.0211(8) Uani 1 1 d . . . . .
C84 C 0.5870(3) 0.0919(3) 0.35761(18) 0.0231(8) Uani 1 1 d . . . . .
H84A H 0.6054 0.0301 0.3445 0.028 Uiso 1 1 calc R U . . .
H84B H 0.5165 0.0579 0.3830 0.028 Uiso 1 1 calc R U . . .
C85 C 0.0956(4) 0.2976(4) 0.3102(2) 0.0309(9) Uani 1 1 d . . . . .
H85A H 0.0579 0.2637 0.2693 0.046 Uiso 1 1 calc R U . . .
H85B H 0.0351 0.2677 0.3410 0.046 Uiso 1 1 calc R U . . .
H85C H 0.1307 0.3817 0.3106 0.046 Uiso 1 1 calc R U . . .
N71 N 0.5874(3) 0.2965(3) 0.40503(13) 0.0170(6) Uani 1 1 d . . . . .
O71 O 0.3751(2) 0.2444(2) 0.33659(11) 0.0156(5) Uani 1 1 d . . . . .
O72 O 0.1884(2) 0.2681(2) 0.32466(11) 0.0181(5) Uani 1 1 d . . . . .
O73 O 0.5592(2) 0.1375(2) 0.30393(12) 0.0190(5) Uani 1 1 d . . . . .
H73 H 0.5475 0.0984 0.2648 0.023 Uiso 1 1 calc R U . . .
N91 N 0.2327(3) -0.1019(3) 0.26568(17) 0.0319(8) Uani 1 1 d . . . . .
O91 O 0.2383(5) -0.2143(4) 0.2658(2) 0.0800(15) Uani 1 1 d . . . . .
O92 O 0.1357(2) -0.1025(2) 0.24841(12) 0.0210(5) Uani 1 1 d . . . . .
O93 O 0.3250(2) -0.0079(2) 0.28246(12) 0.0208(5) Uani 1 1 d . . . . .
N101 N -0.1990(3) 0.1761(3) 0.04549(15) 0.0248(7) Uani 1 1 d . . . . .
O101 O -0.1377(3) 0.2346(2) 0.09424(13) 0.0267(6) Uani 1 1 d . . . . .
O102 O -0.2545(3) 0.0688(2) 0.04602(14) 0.0289(6) Uani 1 1 d . . . . .
O103 O -0.2016(3) 0.2263(3) -0.00131(14) 0.0351(7) Uani 1 1 d . . . . .
N111 N 0.3994(3) 0.6072(3) 0.35280(17) 0.0297(8) Uani 1 1 d . . . . .
O111 O 0.3955(3) 0.5301(3) 0.31567(16) 0.0411(8) Uani 1 1 d . . . . .
O113 O 0.4998(3) 0.6740(3) 0.37961(17) 0.0504(10) Uani 1 1 d . . . . .
O112 O 0.3099(3) 0.6159(3) 0.3630(2) 0.0577(11) 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'
Co Co 0.3494 0.9721 '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'
Pr Pr -0.2180 2.8214 '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
_geom_angle_publ_flag
O31 Pr O71 147.08(9) . . ?
O31 Pr O51 117.25(8) . . ?
O71 Pr O51 61.72(8) . . ?
O31 Pr O92 84.54(8) . . ?
O71 Pr O92 127.54(8) . . ?
O51 Pr O92 112.51(8) . . ?
O31 Pr O93 130.20(8) . . ?
O71 Pr O93 82.06(8) . . ?
O51 Pr O93 70.79(8) . . ?
O92 Pr O93 51.27(8) . . ?
O31 Pr O11 62.24(8) . . ?
O71 Pr O11 116.65(8) . . ?
O51 Pr O11 176.60(8) . . ?
O92 Pr O11 70.88(8) . . ?
O93 Pr O11 112.24(8) . . ?
O31 Pr O52 70.60(8) . . ?
O71 Pr O52 121.91(8) . . ?
O51 Pr O52 60.53(8) . . ?
O92 Pr O52 71.91(8) . . ?
O93 Pr O52 74.12(8) . . ?
O11 Pr O52 121.35(8) . . ?
O31 Pr O72 91.33(8) . . ?
O71 Pr O72 60.49(8) . . ?
O51 Pr O72 106.01(8) . . ?
O92 Pr O72 138.54(8) . . ?
O93 Pr O72 135.98(8) . . ?
O11 Pr O72 70.79(8) . . ?
O52 Pr O72 144.37(8) . . ?
O31 Pr O32 60.55(8) . . ?
O71 Pr O32 92.76(8) . . ?
O51 Pr O32 68.25(8) . . ?
O92 Pr O32 136.09(8) . . ?
O93 Pr O32 135.77(8) . . ?
O11 Pr O32 109.27(8) . . ?
O52 Pr O32 71.79(8) . . ?
O72 Pr O32 72.59(8) . . ?
O31 Pr O12 122.02(8) . . ?
O71 Pr O12 69.76(8) . . ?
O51 Pr O12 120.71(7) . . ?
O92 Pr O12 72.73(8) . . ?
O93 Pr O12 70.72(8) . . ?
O11 Pr O12 60.01(7) . . ?
O52 Pr O12 140.74(8) . . ?
O72 Pr O12 74.89(8) . . ?
O32 Pr O12 147.44(8) . . ?
O31 Pr N91 107.68(10) . . ?
O71 Pr N91 105.24(10) . . ?
O51 Pr N91 91.34(10) . . ?
O92 Pr N91 25.77(9) . . ?
O93 Pr N91 25.51(9) . . ?
O11 Pr N91 91.99(9) . . ?
O52 Pr N91 70.64(9) . . ?
O72 Pr N91 144.98(9) . . ?
O32 Pr N91 142.37(9) . . ?
O12 Pr N91 70.11(9) . . ?
O11 Co2 O31 77.55(9) . . ?
O11 Co2 N11 90.15(11) . . ?
O31 Co2 N11 161.70(11) . . ?
O11 Co2 N31 153.44(11) . . ?
O31 Co2 N31 85.88(10) . . ?
N11 Co2 N31 110.19(12) . . ?
O11 Co2 O13 110.41(10) . . ?
O31 Co2 O13 87.16(10) . . ?
N11 Co2 O13 84.48(11) . . ?
N31 Co2 O13 89.07(11) . . ?
O11 Co2 O33 81.82(10) . . ?
O31 Co2 O33 104.70(10) . . ?
N11 Co2 O33 86.61(11) . . ?
N31 Co2 O33 82.51(10) . . ?
O13 Co2 O33 164.83(10) . . ?
O71 Co1 N51 156.51(11) . . ?
O71 Co1 O51 76.15(10) . . ?
N51 Co1 O51 89.11(11) . . ?
O71 Co1 N71 85.68(11) . . ?
N51 Co1 N71 113.94(12) . . ?
O51 Co1 N71 152.74(11) . . ?
O71 Co1 O73 105.48(10) . . ?
N51 Co1 O73 89.90(11) . . ?
O51 Co1 O73 81.24(10) . . ?
N71 Co1 O73 84.31(11) . . ?
O71 Co1 O53 86.26(10) . . ?
N51 Co1 O53 81.95(11) . . ?
O51 Co1 O53 110.74(10) . . ?
N71 Co1 O53 87.77(11) . . ?
O73 Co1 O53 165.25(10) . . ?
C16 C11 C12 119.6(3) . . ?
C16 C11 C17 124.8(3) . . ?
C12 C11 C17 115.5(3) . . ?
C13 C12 C11 121.3(3) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C12 C13 C14 119.8(3) . . ?
C12 C13 H13A 120.1 . . ?
C14 C13 H13A 120.1 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 O12 123.3(3) . . ?
C14 C15 C16 122.3(3) . . ?
O12 C15 C16 114.4(3) . . ?
O11 C16 C11 124.9(3) . . ?
O11 C16 C15 118.1(3) . . ?
C11 C16 C15 117.0(3) . . ?
N11 C17 C11 125.8(3) . . ?
N11 C17 H17A 117.1 . . ?
C11 C17 H17A 117.1 . . ?
C19 C18 C23 121.8(3) . . ?
C19 C18 N11 121.8(3) . . ?
C23 C18 N11 116.3(3) . . ?
C18 C19 C20 118.8(4) . . ?
C18 C19 H19A 120.6 . . ?
C20 C19 H19A 120.6 . . ?
C21 C20 C19 120.6(4) . . ?
C21 C20 H20A 119.7 . . ?
C19 C20 H20A 119.7 . . ?
C20 C21 C22 120.3(4) . . ?
C20 C21 H21A 119.8 . . ?
C22 C21 H21A 119.8 . . ?
C21 C22 C23 120.5(4) . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 H22A 119.8 . . ?
C18 C23 C22 118.1(4) . . ?
C18 C23 C24 120.1(3) . . ?
C22 C23 C24 121.8(4) . . ?
O13 C24 C23 112.6(3) . . ?
O13 C24 H24A 109.1 . . ?
C23 C24 H24A 109.1 . . ?
O13 C24 H24B 109.1 . . ?
C23 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
O12 C25 H25A 109.5 . . ?
O12 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O12 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C17 N11 C18 119.4(3) . . ?
C17 N11 Co2 125.7(3) . . ?
C18 N11 Co2 114.7(2) . . ?
C16 O11 Co2 123.8(2) . . ?
C16 O11 Pr 125.8(2) . . ?
Co2 O11 Pr 105.54(9) . . ?
C15 O12 C25 115.5(3) . . ?
C15 O12 Pr 121.2(2) . . ?
C25 O12 Pr 122.3(2) . . ?
C24 O13 Co2 118.4(2) . . ?
C24 O13 H13 120.8 . . ?
Co2 O13 H13 120.8 . . ?
C36 C31 C32 118.9(3) . . ?
C36 C31 C37 122.6(3) . . ?
C32 C31 C37 118.3(3) . . ?
C33 C32 C31 121.2(3) . . ?
C33 C32 H32A 119.4 . . ?
C31 C32 H32A 119.4 . . ?
C32 C33 C34 120.3(3) . . ?
C32 C33 H33A 119.9 . . ?
C34 C33 H33A 119.9 . . ?
C35 C34 C33 119.3(3) . . ?
C35 C34 H34A 120.4 . . ?
C33 C34 H34A 120.4 . . ?
C34 C35 O32 125.4(3) . . ?
C34 C35 C36 121.9(3) . . ?
O32 C35 C36 112.7(3) . . ?
O31 C36 C31 123.9(3) . . ?
O31 C36 C35 117.7(3) . . ?
C31 C36 C35 118.4(3) . . ?
N31 C37 C31 125.9(3) . . ?
N31 C37 H37A 117.0 . . ?
C31 C37 H37A 117.0 . . ?
C39 C38 C43 120.6(3) . . ?
C39 C38 N31 121.4(3) . . ?
C43 C38 N31 118.0(3) . . ?
C40 C39 C38 120.1(3) . . ?
C40 C39 H39A 120.0 . . ?
C38 C39 H39A 120.0 . . ?
C41 C40 C39 119.9(3) . . ?
C41 C40 H40A 120.1 . . ?
C39 C40 H40A 120.1 . . ?
C40 C41 C42 119.9(4) . . ?
C40 C41 H41A 120.0 . . ?
C42 C41 H41A 120.0 . . ?
C43 C42 C41 120.9(4) . . ?
C43 C42 H42A 119.5 . . ?
C41 C42 H42A 119.5 . . ?
C42 C43 C38 118.5(3) . . ?
C42 C43 C44 119.8(3) . . ?
C38 C43 C44 121.5(3) . . ?
O33 C44 C43 111.8(3) . . ?
O33 C44 H44A 109.3 . . ?
C43 C44 H44A 109.3 . . ?
O33 C44 H44B 109.3 . . ?
C43 C44 H44B 109.3 . . ?
H44A C44 H44B 107.9 . . ?
O32 C45 H45A 109.5 . . ?
O32 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O32 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C37 N31 C38 117.3(3) . . ?
C37 N31 Co2 122.9(2) . . ?
C38 N31 Co2 118.9(2) . . ?
C36 O31 Co2 121.6(2) . . ?
C36 O31 Pr 126.1(2) . . ?
Co2 O31 Pr 111.79(10) . . ?
C35 O32 C45 116.0(3) . . ?
C35 O32 Pr 116.2(2) . . ?
C45 O32 Pr 125.2(2) . . ?
C44 O33 Co2 122.4(2) . . ?
C44 O33 H33 118.8 . . ?
Co2 O33 H33 118.8 . . ?
C52 C51 C56 119.4(3) . . ?
C52 C51 C57 116.4(3) . . ?
C56 C51 C57 124.3(3) . . ?
C53 C52 C51 121.5(3) . . ?
C53 C52 H52A 119.2 . . ?
C51 C52 H52A 119.2 . . ?
C52 C53 C54 119.9(3) . . ?
C52 C53 H53A 120.1 . . ?
C54 C53 H53A 120.1 . . ?
C55 C54 C53 119.3(3) . . ?
C55 C54 H54A 120.3 . . ?
C53 C54 H54A 120.3 . . ?
C54 C55 O52 123.9(3) . . ?
C54 C55 C56 122.6(3) . . ?
O52 C55 C56 113.4(3) . . ?
O51 C56 C55 118.1(3) . . ?
O51 C56 C51 124.7(3) . . ?
C55 C56 C51 117.2(3) . . ?
N51 C57 C51 125.9(3) . . ?
N51 C57 H57A 117.0 . . ?
C51 C57 H57A 117.0 . . ?
C59 C58 C63 121.3(3) . . ?
C59 C58 N51 121.6(3) . . ?
C63 C58 N51 117.0(3) . . ?
C60 C59 C58 119.6(4) . . ?
C60 C59 H59A 120.2 . . ?
C58 C59 H59A 120.2 . . ?
C59 C60 C61 120.1(4) . . ?
C59 C60 H60A 119.9 . . ?
C61 C60 H60A 119.9 . . ?
C60 C61 C62 120.0(4) . . ?
C60 C61 H61A 120.0 . . ?
C62 C61 H61A 120.0 . . ?
C63 C62 C61 120.6(4) . . ?
C63 C62 H62A 119.7 . . ?
C61 C62 H62A 119.7 . . ?
C62 C63 C58 118.4(3) . . ?
C62 C63 C64 120.5(3) . . ?
C58 C63 C64 120.9(3) . . ?
O53 C64 C63 110.3(3) . . ?
O53 C64 H64A 109.6 . . ?
C63 C64 H64A 109.6 . . ?
O53 C64 H64B 109.6 . . ?
C63 C64 H64B 109.6 . . ?
H64A C64 H64B 108.1 . . ?
O52 C65 H65A 109.5 . . ?
O52 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
O52 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C57 N51 C58 118.4(3) . . ?
C57 N51 Co1 127.4(3) . . ?
C58 N51 Co1 114.2(2) . . ?
C56 O51 Co1 125.9(2) . . ?
C56 O51 Pr 126.0(2) . . ?
Co1 O51 Pr 106.92(10) . . ?
C55 O52 C65 115.2(3) . . ?
C55 O52 Pr 121.2(2) . . ?
C65 O52 Pr 123.6(2) . . ?
C64 O53 Co1 121.8(2) . . ?
C64 O53 H53 119.1 . . ?
Co1 O53 H53 119.1 . . ?
C76 C71 C72 118.8(3) . . ?
C76 C71 C77 122.5(3) . . ?
C72 C71 C77 118.7(3) . . ?
C73 C72 C71 120.6(3) . . ?
C73 C72 H72A 119.7 . . ?
C71 C72 H72A 119.7 . . ?
C72 C73 C74 120.8(3) . . ?
C72 C73 H73A 119.6 . . ?
C74 C73 H73A 119.6 . . ?
C75 C74 C73 119.2(4) . . ?
C75 C74 H74A 120.4 . . ?
C73 C74 H74A 120.4 . . ?
C74 C75 O72 126.4(3) . . ?
C74 C75 C76 121.0(3) . . ?
O72 C75 C76 112.6(3) . . ?
O71 C76 C71 123.7(3) . . ?
O71 C76 C75 116.8(3) . . ?
C71 C76 C75 119.4(3) . . ?
N71 C77 C71 125.3(3) . . ?
N71 C77 H77A 117.4 . . ?
C71 C77 H77A 117.4 . . ?
C83 C78 C79 120.3(4) . . ?
C83 C78 N71 117.9(3) . . ?
C79 C78 N71 121.8(4) . . ?
C80 C79 C78 119.8(4) . . ?
C80 C79 H79A 120.1 . . ?
C78 C79 H79A 120.1 . . ?
C81 C80 C79 120.4(4) . . ?
C81 C80 H80A 119.8 . . ?
C79 C80 H80A 119.8 . . ?
C82 C81 C80 119.6(4) . . ?
C82 C81 H81A 120.2 . . ?
C80 C81 H81A 120.2 . . ?
C81 C82 C83 121.0(4) . . ?
C81 C82 H82A 119.5 . . ?
C83 C82 H82A 119.5 . . ?
C78 C83 C82 118.8(4) . . ?
C78 C83 C84 121.5(3) . . ?
C82 C83 C84 119.5(4) . . ?
O73 C84 C83 111.0(3) . . ?
O73 C84 H84A 109.4 . . ?
C83 C84 H84A 109.4 . . ?
O73 C84 H84B 109.4 . . ?
C83 C84 H84B 109.4 . . ?
H84A C84 H84B 108.0 . . ?
O72 C85 H85A 109.5 . . ?
O72 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
O72 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C77 N71 C78 118.5(3) . . ?
C77 N71 Co1 124.1(3) . . ?
C78 N71 Co1 117.2(2) . . ?
C76 O71 Co1 121.4(2) . . ?
C76 O71 Pr 125.0(2) . . ?
Co1 O71 Pr 112.71(10) . . ?
C75 O72 C85 117.4(3) . . ?
C75 O72 Pr 116.5(2) . . ?
C85 O72 Pr 125.2(2) . . ?
C84 O73 Co1 121.3(2) . . ?
C84 O73 H73 119.3 . . ?
Co1 O73 H73 119.3 . . ?
O93 N91 O92 120.1(4) . . ?
O93 N91 O91 119.7(4) . . ?
O92 N91 O91 120.2(4) . . ?
O93 N91 Pr 60.4(2) . . ?
O92 N91 Pr 59.68(19) . . ?
O91 N91 Pr 178.0(3) . . ?
N91 O92 Pr 94.6(2) . . ?
N91 O93 Pr 94.0(2) . . ?
O103 N101 O102 121.4(4) . . ?
O103 N101 O101 119.9(3) . . ?
O102 N101 O101 118.7(3) . . ?
O112 N111 O113 121.7(4) . . ?
O112 N111 O111 121.9(4) . . ?
O113 N111 O111 116.4(4) . . ?
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
Pr O31 2.392(2) . ?
Pr O71 2.400(2) . ?
Pr O51 2.515(3) . ?
Pr O92 2.534(3) . ?
Pr O93 2.552(3) . ?
Pr O11 2.562(2) . ?
Pr O52 2.639(3) . ?
Pr O72 2.648(3) . ?
Pr O32 2.677(3) . ?
Pr O12 2.679(2) . ?
Pr N91 2.926(4) . ?
Co2 O11 2.046(2) . ?
Co2 O31 2.049(2) . ?
Co2 N11 2.049(3) . ?
Co2 N31 2.080(3) . ?
Co2 O13 2.191(3) . ?
Co2 O33 2.249(3) . ?
Co1 O71 2.025(2) . ?
Co1 N51 2.044(3) . ?
Co1 O51 2.066(2) . ?
Co1 N71 2.099(3) . ?
Co1 O73 2.190(3) . ?
Co1 O53 2.231(3) . ?
C11 C16 1.418(5) . ?
C11 C12 1.418(5) . ?
C11 C17 1.447(5) . ?
C12 C13 1.372(5) . ?
C12 H12A 0.9500 . ?
C13 C14 1.399(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.376(5) . ?
C14 H14A 0.9500 . ?
C15 O12 1.389(4) . ?
C15 C16 1.422(5) . ?
C16 O11 1.331(4) . ?
C17 N11 1.286(4) . ?
C17 H17A 0.9500 . ?
C18 C19 1.391(5) . ?
C18 C23 1.399(5) . ?
C18 N11 1.438(5) . ?
C19 C20 1.393(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.384(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.388(6) . ?
C21 H21A 0.9500 . ?
C22 C23 1.405(5) . ?
C22 H22A 0.9500 . ?
C23 C24 1.509(6) . ?
C24 O13 1.445(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 O12 1.449(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
O13 H13 0.9500 . ?
C31 C36 1.407(5) . ?
C31 C32 1.422(5) . ?
C31 C37 1.455(5) . ?
C32 C33 1.367(5) . ?
C32 H32A 0.9500 . ?
C33 C34 1.401(5) . ?
C33 H33A 0.9500 . ?
C34 C35 1.381(5) . ?
C34 H34A 0.9500 . ?
C35 O32 1.389(4) . ?
C35 C36 1.411(5) . ?
C36 O31 1.334(4) . ?
C37 N31 1.289(4) . ?
C37 H37A 0.9500 . ?
C38 C39 1.393(5) . ?
C38 C43 1.405(5) . ?
C38 N31 1.438(4) . ?
C39 C40 1.387(5) . ?
C39 H39A 0.9500 . ?
C40 C41 1.389(5) . ?
C40 H40A 0.9500 . ?
C41 C42 1.398(5) . ?
C41 H41A 0.9500 . ?
C42 C43 1.388(5) . ?
C42 H42A 0.9500 . ?
C43 C44 1.518(5) . ?
C44 O33 1.431(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 O32 1.444(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
O33 H33 0.9500 . ?
C51 C52 1.416(5) . ?
C51 C56 1.421(5) . ?
C51 C57 1.448(5) . ?
C52 C53 1.376(5) . ?
C52 H52A 0.9500 . ?
C53 C54 1.405(5) . ?
C53 H53A 0.9500 . ?
C54 C55 1.380(5) . ?
C54 H54A 0.9500 . ?
C55 O52 1.387(4) . ?
C55 C56 1.421(5) . ?
C56 O51 1.323(4) . ?
C57 N51 1.290(4) . ?
C57 H57A 0.9500 . ?
C58 C59 1.394(5) . ?
C58 C63 1.398(5) . ?
C58 N51 1.439(4) . ?
C59 C60 1.380(5) . ?
C59 H59A 0.9500 . ?
C60 C61 1.392(6) . ?
C60 H60A 0.9500 . ?
C61 C62 1.397(5) . ?
C61 H61A 0.9500 . ?
C62 C63 1.391(5) . ?
C62 H62A 0.9500 . ?
C63 C64 1.515(5) . ?
C64 O53 1.441(4) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 O52 1.446(4) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
O53 H53 0.9500 . ?
C71 C76 1.408(5) . ?
C71 C72 1.412(5) . ?
C71 C77 1.454(5) . ?
C72 C73 1.381(5) . ?
C72 H72A 0.9500 . ?
C73 C74 1.406(5) . ?
C73 H73A 0.9500 . ?
C74 C75 1.377(5) . ?
C74 H74A 0.9500 . ?
C75 O72 1.380(4) . ?
C75 C76 1.418(5) . ?
C76 O71 1.334(4) . ?
C77 N71 1.287(5) . ?
C77 H77A 0.9500 . ?
C78 C83 1.397(6) . ?
C78 C79 1.397(5) . ?
C78 N71 1.442(5) . ?
C79 C80 1.394(6) . ?
C79 H79A 0.9500 . ?
C80 C81 1.386(6) . ?
C80 H80A 0.9500 . ?
C81 C82 1.388(6) . ?
C81 H81A 0.9500 . ?
C82 C83 1.401(5) . ?
C82 H82A 0.9500 . ?
C83 C84 1.508(5) . ?
C84 O73 1.442(4) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 O72 1.441(4) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
O73 H73 0.9500 . ?
N91 O93 1.263(4) . ?
N91 O92 1.276(4) . ?
N91 O91 1.526(6) . ?
N101 O103 1.244(4) . ?
N101 O102 1.247(4) . ?
N101 O101 1.280(4) . ?
N111 O112 1.226(5) . ?
N111 O113 1.258(5) . ?
N111 O111 1.261(5) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C54 H54A O102 0.95 2.43 3.364(5) 166.3 2
C72 H72A O113 0.95 2.46 3.308(5) 148.1 2_666
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
C16 C11 C12 C13 -2.7(6) . . . . ?
C17 C11 C12 C13 176.8(3) . . . . ?
C11 C12 C13 C14 0.7(6) . . . . ?
C12 C13 C14 C15 1.3(6) . . . . ?
C13 C14 C15 O12 178.2(3) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C12 C11 C16 O11 -176.9(3) . . . . ?
C17 C11 C16 O11 3.7(6) . . . . ?
C12 C11 C16 C15 2.5(5) . . . . ?
C17 C11 C16 C15 -176.9(3) . . . . ?
C14 C15 C16 O11 178.9(3) . . . . ?
O12 C15 C16 O11 -0.7(5) . . . . ?
C14 C15 C16 C11 -0.6(5) . . . . ?
O12 C15 C16 C11 179.9(3) . . . . ?
C16 C11 C17 N11 6.0(6) . . . . ?
C12 C11 C17 N11 -173.4(4) . . . . ?
C23 C18 C19 C20 2.0(6) . . . . ?
N11 C18 C19 C20 -173.5(3) . . . . ?
C18 C19 C20 C21 -0.2(6) . . . . ?
C19 C20 C21 C22 -1.2(6) . . . . ?
C20 C21 C22 C23 0.9(6) . . . . ?
C19 C18 C23 C22 -2.4(6) . . . . ?
N11 C18 C23 C22 173.4(3) . . . . ?
C19 C18 C23 C24 176.3(3) . . . . ?
N11 C18 C23 C24 -7.9(5) . . . . ?
C21 C22 C23 C18 0.9(6) . . . . ?
C21 C22 C23 C24 -177.7(4) . . . . ?
C18 C23 C24 O13 62.6(5) . . . . ?
C22 C23 C24 O13 -118.8(4) . . . . ?
C11 C17 N11 C18 180.0(3) . . . . ?
C11 C17 N11 Co2 5.0(5) . . . . ?
C19 C18 N11 C17 -58.6(5) . . . . ?
C23 C18 N11 C17 125.6(4) . . . . ?
C19 C18 N11 Co2 116.9(3) . . . . ?
C23 C18 N11 Co2 -58.9(4) . . . . ?
C11 C16 O11 Co2 -22.3(5) . . . . ?
C15 C16 O11 Co2 158.3(2) . . . . ?
C11 C16 O11 Pr -173.9(3) . . . . ?
C15 C16 O11 Pr 6.7(4) . . . . ?
C14 C15 O12 C25 6.4(5) . . . . ?
C16 C15 O12 C25 -174.0(3) . . . . ?
C14 C15 O12 Pr 175.4(3) . . . . ?
C16 C15 O12 Pr -5.0(4) . . . . ?
C23 C24 O13 Co2 -42.7(4) . . . . ?
C36 C31 C32 C33 -0.2(5) . . . . ?
C37 C31 C32 C33 -176.2(3) . . . . ?
C31 C32 C33 C34 0.5(6) . . . . ?
C32 C33 C34 C35 -0.1(6) . . . . ?
C33 C34 C35 O32 179.7(3) . . . . ?
C33 C34 C35 C36 -0.5(6) . . . . ?
C32 C31 C36 O31 -178.6(3) . . . . ?
C37 C31 C36 O31 -2.9(5) . . . . ?
C32 C31 C36 C35 -0.4(5) . . . . ?
C37 C31 C36 C35 175.4(3) . . . . ?
C34 C35 C36 O31 179.2(3) . . . . ?
O32 C35 C36 O31 -1.1(5) . . . . ?
C34 C35 C36 C31 0.8(5) . . . . ?
O32 C35 C36 C31 -179.5(3) . . . . ?
C36 C31 C37 N31 13.0(6) . . . . ?
C32 C31 C37 N31 -171.2(3) . . . . ?
C43 C38 C39 C40 -3.5(5) . . . . ?
N31 C38 C39 C40 177.3(3) . . . . ?
C38 C39 C40 C41 1.5(6) . . . . ?
C39 C40 C41 C42 1.0(6) . . . . ?
C40 C41 C42 C43 -1.6(6) . . . . ?
C41 C42 C43 C38 -0.4(6) . . . . ?
C41 C42 C43 C44 -174.6(3) . . . . ?
C39 C38 C43 C42 3.0(5) . . . . ?
N31 C38 C43 C42 -177.9(3) . . . . ?
C39 C38 C43 C44 177.1(3) . . . . ?
N31 C38 C43 C44 -3.8(5) . . . . ?
C42 C43 C44 O33 -129.5(4) . . . . ?
C38 C43 C44 O33 56.4(4) . . . . ?
C31 C37 N31 C38 -176.1(3) . . . . ?
C31 C37 N31 Co2 14.3(5) . . . . ?
C39 C38 N31 C37 -48.4(5) . . . . ?
C43 C38 N31 C37 132.5(4) . . . . ?
C39 C38 N31 Co2 121.6(3) . . . . ?
C43 C38 N31 Co2 -57.6(4) . . . . ?
C31 C36 O31 Co2 -32.7(4) . . . . ?
C35 C36 O31 Co2 149.0(3) . . . . ?
C31 C36 O31 Pr 156.0(3) . . . . ?
C35 C36 O31 Pr -22.3(4) . . . . ?
C34 C35 O32 C45 1.7(5) . . . . ?
C36 C35 O32 C45 -178.0(3) . . . . ?
C34 C35 O32 Pr -161.0(3) . . . . ?
C36 C35 O32 Pr 19.3(4) . . . . ?
C43 C44 O33 Co2 -45.4(4) . . . . ?
C56 C51 C52 C53 -3.6(6) . . . . ?
C57 C51 C52 C53 175.0(3) . . . . ?
C51 C52 C53 C54 0.6(6) . . . . ?
C52 C53 C54 C55 2.0(5) . . . . ?
C53 C54 C55 O52 179.7(3) . . . . ?
C53 C54 C55 C56 -1.7(5) . . . . ?
C54 C55 C56 O51 178.4(3) . . . . ?
O52 C55 C56 O51 -2.9(5) . . . . ?
C54 C55 C56 C51 -1.3(5) . . . . ?
O52 C55 C56 C51 177.5(3) . . . . ?
C52 C51 C56 O51 -175.8(3) . . . . ?
C57 C51 C56 O51 5.6(6) . . . . ?
C52 C51 C56 C55 3.9(5) . . . . ?
C57 C51 C56 C55 -174.7(3) . . . . ?
C52 C51 C57 N51 -174.7(4) . . . . ?
C56 C51 C57 N51 3.9(6) . . . . ?
C63 C58 C59 C60 -1.5(6) . . . . ?
N51 C58 C59 C60 -177.8(3) . . . . ?
C58 C59 C60 C61 0.8(6) . . . . ?
C59 C60 C61 C62 -0.6(6) . . . . ?
C60 C61 C62 C63 1.0(6) . . . . ?
C61 C62 C63 C58 -1.7(5) . . . . ?
C61 C62 C63 C64 -176.9(3) . . . . ?
C59 C58 C63 C62 1.9(5) . . . . ?
N51 C58 C63 C62 178.4(3) . . . . ?
C59 C58 C63 C64 177.2(3) . . . . ?
N51 C58 C63 C64 -6.4(5) . . . . ?
C62 C63 C64 O53 -126.1(4) . . . . ?
C58 C63 C64 O53 58.8(4) . . . . ?
C51 C57 N51 C58 -178.8(3) . . . . ?
C51 C57 N51 Co1 1.5(5) . . . . ?
C59 C58 N51 C57 -65.6(5) . . . . ?
C63 C58 N51 C57 118.0(4) . . . . ?
C59 C58 N51 Co1 114.2(3) . . . . ?
C63 C58 N51 Co1 -62.2(4) . . . . ?
C55 C56 O51 Co1 161.4(2) . . . . ?
C51 C56 O51 Co1 -19.0(5) . . . . ?
C55 C56 O51 Pr -4.5(4) . . . . ?
C51 C56 O51 Pr 175.1(2) . . . . ?
C54 C55 O52 C65 5.8(5) . . . . ?
C56 C55 O52 C65 -172.9(3) . . . . ?
C54 C55 O52 Pr -172.9(3) . . . . ?
C56 C55 O52 Pr 8.4(4) . . . . ?
C63 C64 O53 Co1 -39.6(4) . . . . ?
C76 C71 C72 C73 -4.5(5) . . . . ?
C77 C71 C72 C73 178.0(3) . . . . ?
C71 C72 C73 C74 2.2(5) . . . . ?
C72 C73 C74 C75 2.3(5) . . . . ?
C73 C74 C75 O72 176.3(3) . . . . ?
C73 C74 C75 C76 -4.3(5) . . . . ?
C72 C71 C76 O71 -175.3(3) . . . . ?
C77 C71 C76 O71 2.1(5) . . . . ?
C72 C71 C76 C75 2.4(5) . . . . ?
C77 C71 C76 C75 179.8(3) . . . . ?
C74 C75 C76 O71 179.9(3) . . . . ?
O72 C75 C76 O71 -0.7(4) . . . . ?
C74 C75 C76 C71 2.0(5) . . . . ?
O72 C75 C76 C71 -178.6(3) . . . . ?
C76 C71 C77 N71 14.5(6) . . . . ?
C72 C71 C77 N71 -168.1(4) . . . . ?
C83 C78 C79 C80 -1.3(6) . . . . ?
N71 C78 C79 C80 179.3(4) . . . . ?
C78 C79 C80 C81 0.7(6) . . . . ?
C79 C80 C81 C82 0.4(6) . . . . ?
C80 C81 C82 C83 -0.9(6) . . . . ?
C79 C78 C83 C82 0.8(5) . . . . ?
N71 C78 C83 C82 -179.8(3) . . . . ?
C79 C78 C83 C84 175.2(3) . . . . ?
N71 C78 C83 C84 -5.4(5) . . . . ?
C81 C82 C83 C78 0.3(6) . . . . ?
C81 C82 C83 C84 -174.1(3) . . . . ?
C78 C83 C84 O73 60.1(5) . . . . ?
C82 C83 C84 O73 -125.6(4) . . . . ?
C71 C77 N71 C78 -177.6(3) . . . . ?
C71 C77 N71 Co1 7.8(5) . . . . ?
C83 C78 N71 C77 129.8(4) . . . . ?
C79 C78 N71 C77 -50.8(5) . . . . ?
C83 C78 N71 Co1 -55.3(4) . . . . ?
C79 C78 N71 Co1 124.1(3) . . . . ?
C71 C76 O71 Co1 -38.9(4) . . . . ?
C75 C76 O71 Co1 143.4(3) . . . . ?
C71 C76 O71 Pr 152.8(3) . . . . ?
C75 C76 O71 Pr -24.9(4) . . . . ?
C74 C75 O72 C85 11.1(5) . . . . ?
C76 C75 O72 C85 -168.3(3) . . . . ?
C74 C75 O72 Pr -159.1(3) . . . . ?
C76 C75 O72 Pr 21.5(4) . . . . ?
C83 C84 O73 Co1 -48.4(4) . . . . ?
O93 N91 O92 Pr 1.9(4) . . . . ?
O91 N91 O92 Pr -177.6(3) . . . . ?
O92 N91 O93 Pr -1.9(4) . . . . ?
O91 N91 O93 Pr 177.6(3) . . . . ?
