#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/26/7032670.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_7032670
loop_
_publ_author_name
'Ahmed, Naushad'
'Das, Chinmoy'
'Vaidya, Shefali'
'Srivastava, Anant Kumar'
'Langley, Stuart K.'
'Murray, Keith S.'
'Shanmugam, Maheswaran'
_publ_section_title
;
 Probing the magnetic and magnetothermal properties of M(ii)-Ln(iii)
 complexes (where M(ii) = Ni or Zn; Ln(iii) = La or Pr or Gd).
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17375
_journal_page_last               17384
_journal_paper_doi               10.1039/c4dt02360a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C31.25 H33.5 N5 Ni O16.5 Pr'
_chemical_formula_weight         942.75
_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                 98.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.303(2)
_cell_length_b                   27.142(5)
_cell_length_c                   12.804(3)
_cell_measurement_reflns_used    6973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      1.77
_cell_volume                     3885.4(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT, SADABS and XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '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  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            38661
_diffrn_reflns_theta_full        28.34
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.800
_exptl_absorpt_correction_T_max  0.8844
_exptl_absorpt_correction_T_min  0.7997
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1900
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.764
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         9689
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0681
_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)+(0.0623P)²+19.9066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1399
_refine_ls_wR_factor_ref         0.1494
_reflns_number_gt                7861
_reflns_number_total             9689
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02360a2.cif
_cod_data_source_block           prni-152
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Numerical'
changed to 'numerical' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032669--7032673.cif.
;
_cod_original_cell_volume        3885.6(14)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C31.25 H33.50 N5 Ni O16.50 Pr'
_cod_database_code               7032670
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
Pr1 Pr 0.55010(3) 0.108672(10) 0.76454(2) 0.02165(10) Uani 1 1 d .
Ni2 Ni 0.60823(6) 0.23880(2) 0.74877(5) 0.01578(14) Uani 1 1 d .
C11 C 0.7077(4) 0.21548(18) 0.5236(4) 0.0172(9) Uani 1 1 d .
C12 C 0.7316(4) 0.20908(19) 0.4196(4) 0.0209(10) Uani 1 1 d .
H12A H 0.7568 0.2366 0.3827 0.025 Uiso 1 1 calc R
C13 C 0.7195(5) 0.1643(2) 0.3703(4) 0.0228(10) Uani 1 1 d .
H13A H 0.7345 0.1612 0.2995 0.027 Uiso 1 1 calc R
C14 C 0.6851(5) 0.1232(2) 0.4242(4) 0.0236(11) Uani 1 1 d .
H14A H 0.6783 0.0918 0.3911 0.028 Uiso 1 1 calc R
C15 C 0.6612(5) 0.12868(19) 0.5263(4) 0.0207(10) Uani 1 1 d .
C16 C 0.6712(4) 0.17464(18) 0.5790(4) 0.0187(10) Uani 1 1 d .
C17 C 0.7352(4) 0.26344(18) 0.5715(4) 0.0178(9) Uani 1 1 d .
H17A H 0.7783 0.2858 0.5342 0.021 Uiso 1 1 calc R
C18 C 0.7516(4) 0.32527(17) 0.6985(4) 0.0179(9) Uani 1 1 d .
C19 C 0.7409(5) 0.36647(19) 0.6319(4) 0.0217(10) Uani 1 1 d .
H19A H 0.7042 0.3632 0.5606 0.026 Uiso 1 1 calc R
C20 C 0.7839(5) 0.4121(2) 0.6697(5) 0.0264(11) Uani 1 1 d .
H20A H 0.7762 0.4400 0.6245 0.032 Uiso 1 1 calc R
C21 C 0.8378(6) 0.4167(2) 0.7730(5) 0.0310(13) Uani 1 1 d .
H21A H 0.8682 0.4477 0.7987 0.037 Uiso 1 1 calc R
C22 C 0.8476(5) 0.3764(2) 0.8392(5) 0.0283(12) Uani 1 1 d .
H22A H 0.8853 0.3803 0.9101 0.034 Uiso 1 1 calc R
C23 C 0.8034(4) 0.32987(18) 0.8047(4) 0.0198(10) Uani 1 1 d .
C24 C 0.8211(5) 0.28899(19) 0.8854(4) 0.0234(11) Uani 1 1 d .
H24A H 0.9082 0.2839 0.9056 0.028 Uiso 1 1 calc R
H24B H 0.7893 0.3004 0.9493 0.028 Uiso 1 1 calc R
C25 C 0.6314(8) 0.0420(2) 0.5398(5) 0.0475(19) Uani 1 1 d .
H25A H 0.6075 0.0173 0.5885 0.071 Uiso 1 1 calc R
H25B H 0.7125 0.0348 0.5258 0.071 Uiso 1 1 calc R
H25C H 0.5758 0.0411 0.4735 0.071 Uiso 1 1 calc R
N11 N 0.7065(4) 0.27841(14) 0.6598(3) 0.0164(8) Uani 1 1 d .
O11 O 0.6457(3) 0.17616(12) 0.6767(3) 0.0182(7) Uani 1 1 d .
O12 O 0.6289(4) 0.09043(13) 0.5869(3) 0.0277(9) Uani 1 1 d .
O13 O 0.7678(3) 0.24233(13) 0.8555(3) 0.0216(8) Uani 1 1 d .
H13 H 0.8048 0.2129 0.8839 0.026 Uiso 1 1 calc R
C31 C 0.5310(5) 0.24611(19) 0.9876(4) 0.0196(10) Uani 1 1 d .
C32 C 0.5249(5) 0.2522(2) 1.0958(4) 0.0225(10) Uani 1 1 d .
H32A H 0.5161 0.2843 1.1232 0.027 Uiso 1 1 calc R
C33 C 0.5316(5) 0.2123(2) 1.1620(4) 0.0240(11) Uani 1 1 d .
H33A H 0.5292 0.2170 1.2352 0.029 Uiso 1 1 calc R
C34 C 0.5418(5) 0.1645(2) 1.1226(4) 0.0229(11) Uani 1 1 d .
H34A H 0.5456 0.1369 1.1685 0.027 Uiso 1 1 calc R
C35 C 0.5463(5) 0.15800(19) 1.0161(4) 0.0207(10) Uani 1 1 d .
C36 C 0.5414(4) 0.19849(19) 0.9454(4) 0.0193(10) Uani 1 1 d .
C37 C 0.5131(5) 0.28999(19) 0.9212(4) 0.0215(10) Uani 1 1 d .
H37A H 0.4884 0.3192 0.9528 0.026 Uiso 1 1 calc R
C38 C 0.4889(5) 0.33562(19) 0.7652(4) 0.0227(10) Uani 1 1 d .
C39 C 0.5227(5) 0.3822(2) 0.8030(5) 0.0290(12) Uani 1 1 d .
H39A H 0.5728 0.3859 0.8689 0.035 Uiso 1 1 calc R
C40 C 0.4820(6) 0.4235(2) 0.7430(6) 0.0405(16) Uani 1 1 d .
H40A H 0.5051 0.4556 0.7677 0.049 Uiso 1 1 calc R
C41 C 0.4084(6) 0.4176(2) 0.6480(6) 0.0400(15) Uani 1 1 d .
H41A H 0.3797 0.4458 0.6080 0.048 Uiso 1 1 calc R
C42 C 0.3763(6) 0.3711(2) 0.6108(5) 0.0335(13) Uani 1 1 d .
H42A H 0.3273 0.3674 0.5444 0.040 Uiso 1 1 calc R
C43 C 0.4149(5) 0.3293(2) 0.6697(4) 0.0246(11) Uani 1 1 d .
C44 C 0.3658(5) 0.2795(2) 0.6347(4) 0.0239(11) Uani 1 1 d .
H44A H 0.3154 0.2671 0.6860 0.029 Uiso 1 1 calc R
H44B H 0.3148 0.2827 0.5652 0.029 Uiso 1 1 calc R
C45 C 0.5711(5) 0.07028(19) 1.0372(4) 0.0264(11) Uani 1 1 d .
H45A H 0.5771 0.0405 0.9950 0.040 Uiso 1 1 calc R
H45B H 0.5022 0.0674 1.0752 0.040 Uiso 1 1 calc R
H45C H 0.6442 0.0741 1.0881 0.040 Uiso 1 1 calc R
N31 N 0.5278(4) 0.29244(15) 0.8236(3) 0.0188(8) Uani 1 1 d .
O31 O 0.5429(3) 0.18898(13) 0.8442(3) 0.0213(7) Uani 1 1 d .
O32 O 0.5558(4) 0.11307(13) 0.9680(3) 0.0249(8) Uani 1 1 d .
O33 O 0.4604(3) 0.24490(13) 0.6266(3) 0.0209(7) Uani 1 1 d .
H33 H 0.4566 0.2245 0.5659 0.025 Uiso 1 1 calc R
N51 N 0.7756(6) 0.0605(2) 0.8351(5) 0.0448(13) Uani 1 1 d U
O51 O 0.8952(8) 0.0359(3) 0.8673(8) 0.112(3) Uani 1 1 d U
O52 O 0.7693(4) 0.10732(14) 0.8372(3) 0.0306(9) Uani 1 1 d U
O53 O 0.6840(4) 0.03544(15) 0.8061(4) 0.0376(10) Uani 1 1 d U
N61 N 0.4000(5) 0.01589(18) 0.7439(4) 0.0343(12) Uani 1 1 d .
O61 O 0.3394(5) -0.02170(18) 0.7313(4) 0.0485(13) Uani 1 1 d .
O62 O 0.4294(4) 0.03882(16) 0.6649(3) 0.0363(10) Uani 1 1 d .
O63 O 0.4332(4) 0.03400(16) 0.8345(3) 0.0380(11) Uani 1 1 d .
N71 N 0.3053(7) 0.1434(3) 0.6742(8) 0.077(2) Uani 1 1 d U
O71 O 0.2045(8) 0.1526(5) 0.6173(10) 0.167(5) Uani 1 1 d U
O72 O 0.3927(4) 0.14906(16) 0.6264(4) 0.0390(11) Uani 1 1 d U
O73 O 0.3235(5) 0.1246(2) 0.7683(6) 0.0615(15) Uani 1 1 d U
C1S C 1.0296(6) 0.1756(3) 0.8692(6) 0.0454(17) Uani 1 1 d .
H1S1 H 1.0812 0.2040 0.8615 0.068 Uiso 1 1 calc R
H1S2 H 1.0711 0.1452 0.8548 0.068 Uiso 1 1 calc R
H1S3 H 1.0105 0.1746 0.9414 0.068 Uiso 1 1 calc R
O1S O 0.9224(4) 0.17996(15) 0.7968(3) 0.0321(9) Uani 1 1 d .
H1S H 0.8791 0.1552 0.8020 0.048 Uiso 1 1 calc R
O1WS O 0.2050(17) 0.0505(9) 0.9062(13) 0.047(5) Uani 0.25 1 d P
O2S O 0.928(2) 0.0310(10) 0.591(2) 0.075(7) Uiso 0.25 1 d PDU
C2S C 0.933(3) -0.0001(11) 0.504(2) 0.056(8) Uiso 0.25 1 d PDU
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
O31 Pr1 O11 64.41(12) .
O31 Pr1 O53 133.10(13) .
O11 Pr1 O53 113.10(14) .
O31 Pr1 O52 87.09(13) .
O11 Pr1 O52 72.98(12) .
O53 Pr1 O52 51.62(13) .
O31 Pr1 O72 80.92(14) .
O11 Pr1 O72 71.08(12) .
O53 Pr1 O72 145.23(15) .
O52 Pr1 O72 143.86(14) .
O31 Pr1 O62 146.10(15) .
O11 Pr1 O62 123.80(12) .
O53 Pr1 O62 77.26(15) .
O52 Pr1 O62 126.61(14) .
O72 Pr1 O62 73.04(14) .
O31 Pr1 O32 62.12(11) .
O11 Pr1 O32 118.18(11) .
O53 Pr1 O32 84.17(14) .
O52 Pr1 O32 75.62(14) .
O72 Pr1 O32 125.76(15) .
O62 Pr1 O32 117.78(12) .
O31 Pr1 O73 75.42(16) .
O11 Pr1 O73 112.43(15) .
O53 Pr1 O73 133.76(16) .
O52 Pr1 O73 155.94(19) .
O72 Pr1 O73 50.01(18) .
O62 Pr1 O73 71.29(18) .
O32 Pr1 O73 81.57(18) .
O31 Pr1 O12 125.23(12) .
O11 Pr1 O12 61.14(11) .
O53 Pr1 O12 76.23(14) .
O52 Pr1 O12 82.88(14) .
O72 Pr1 O12 76.75(15) .
O62 Pr1 O12 69.54(13) .
O32 Pr1 O12 157.09(13) .
O73 Pr1 O12 120.68(18) .
O31 Pr1 O63 119.95(14) .
O11 Pr1 O63 172.79(12) .
O53 Pr1 O63 68.70(16) .
O52 Pr1 O63 112.15(14) .
O72 Pr1 O63 103.33(14) .
O62 Pr1 O63 49.20(13) .
O32 Pr1 O63 68.65(12) .
O73 Pr1 O63 65.12(17) .
O12 Pr1 O63 113.65(13) .
O31 Pr1 N51 111.06(15) .
O11 Pr1 N51 93.02(15) .
O53 Pr1 N51 25.55(15) .
O52 Pr1 N51 26.08(15) .
O72 Pr1 N51 154.23(17) .
O62 Pr1 N51 101.63(17) .
O32 Pr1 N51 79.41(15) .
O73 Pr1 N51 153.36(18) .
O12 Pr1 N51 77.79(15) .
O63 Pr1 N51 90.52(17) .
O31 Pr1 N71 78.0(2) .
O11 Pr1 N71 91.84(17) .
O53 Pr1 N71 145.8(2) .
O52 Pr1 N71 162.32(18) .
O72 Pr1 N71 24.40(19) .
O62 Pr1 N71 69.3(2) .
O32 Pr1 N71 105.0(2) .
O73 Pr1 N71 25.6(2) .
O12 Pr1 N71 97.9(2) .
O63 Pr1 N71 83.83(19) .
N51 Pr1 N71 170.9(2) .
O11 Ni2 N11 91.19(15) .
O11 Ni2 N31 164.38(16) .
N11 Ni2 N31 101.93(17) .
O11 Ni2 O31 80.37(14) .
N11 Ni2 O31 166.90(16) .
N31 Ni2 O31 88.04(16) .
O11 Ni2 O13 96.80(14) .
N11 Ni2 O13 81.45(15) .
N31 Ni2 O13 93.52(16) .
O31 Ni2 O13 89.57(14) .
O11 Ni2 O33 85.63(14) .
N11 Ni2 O33 88.92(15) .
N31 Ni2 O33 86.19(15) .
O31 Ni2 O33 100.31(14) .
O13 Ni2 O33 170.10(14) .
C12 C11 C16 119.3(4) .
C12 C11 C17 116.8(4) .
C16 C11 C17 123.5(4) .
C13 C12 C11 121.8(5) .
C13 C12 H12A 119.1 .
C11 C12 H12A 119.1 .
C12 C13 C14 119.8(5) .
C12 C13 H13A 120.1 .
C14 C13 H13A 120.1 .
C15 C14 C13 119.3(5) .
C15 C14 H14A 120.4 .
C13 C14 H14A 120.4 .
O12 C15 C14 123.8(5) .
O12 C15 C16 113.9(4) .
C14 C15 C16 122.2(5) .
O11 C16 C11 124.8(4) .
O11 C16 C15 117.7(4) .
C11 C16 C15 117.5(4) .
N11 C17 C11 126.0(5) .
N11 C17 H17A 117.0 .
C11 C17 H17A 117.0 .
C19 C18 C23 120.3(4) .
C19 C18 N11 120.3(4) .
C23 C18 N11 119.4(4) .
C20 C19 C18 120.3(5) .
C20 C19 H19A 119.8 .
C18 C19 H19A 119.8 .
C21 C20 C19 119.7(5) .
C21 C20 H20A 120.1 .
C19 C20 H20A 120.1 .
C22 C21 C20 120.3(5) .
C22 C21 H21A 119.9 .
C20 C21 H21A 119.9 .
C21 C22 C23 121.8(5) .
C21 C22 H22A 119.1 .
C23 C22 H22A 119.1 .
C22 C23 C18 117.5(5) .
C22 C23 C24 116.2(5) .
C18 C23 C24 126.3(4) .
O13 C24 C23 117.3(4) .
O13 C24 H24A 108.0 .
C23 C24 H24A 108.0 .
O13 C24 H24B 108.0 .
C23 C24 H24B 108.0 .
H24A C24 H24B 107.2 .
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 117.5(4) .
C17 N11 Ni2 124.0(3) .
C18 N11 Ni2 118.4(3) .
C16 O11 Ni2 123.3(3) .
C16 O11 Pr1 125.1(3) .
Ni2 O11 Pr1 106.36(15) .
C15 O12 C25 115.3(4) .
C15 O12 Pr1 120.0(3) .
C25 O12 Pr1 124.4(4) .
C24 O13 Ni2 120.2(3) .
C24 O13 H13 119.9 .
Ni2 O13 H13 119.9 .
C32 C31 C36 120.2(5) .
C32 C31 C37 117.0(5) .
C36 C31 C37 122.5(4) .
C33 C32 C31 120.6(5) .
C33 C32 H32A 119.7 .
C31 C32 H32A 119.7 .
C32 C33 C34 120.5(5) .
C32 C33 H33A 119.7 .
C34 C33 H33A 119.7 .
C35 C34 C33 119.4(5) .
C35 C34 H34A 120.3 .
C33 C34 H34A 120.3 .
O32 C35 C34 124.8(5) .
O32 C35 C36 113.5(4) .
C34 C35 C36 121.7(5) .
O31 C36 C31 124.5(4) .
O31 C36 C35 117.9(5) .
C31 C36 C35 117.6(4) .
N31 C37 C31 125.5(5) .
N31 C37 H37A 117.3 .
C31 C37 H37A 117.3 .
C39 C38 C43 121.3(5) .
C39 C38 N31 121.2(5) .
C43 C38 N31 117.4(5) .
C38 C39 C40 119.2(6) .
C38 C39 H39A 120.4 .
C40 C39 H39A 120.4 .
C41 C40 C39 120.0(6) .
C41 C40 H40A 120.0 .
C39 C40 H40A 120.0 .
C40 C41 C42 120.3(6) .
C40 C41 H41A 119.9 .
C42 C41 H41A 119.9 .
C41 C42 C43 120.8(6) .
C41 C42 H42A 119.6 .
C43 C42 H42A 119.6 .
C38 C43 C42 118.4(5) .
C38 C43 C44 121.5(5) .
C42 C43 C44 119.8(5) .
O33 C44 C43 111.3(4) .
O33 C44 H44A 109.4 .
C43 C44 H44A 109.4 .
O33 C44 H44B 109.4 .
C43 C44 H44B 109.4 .
H44A C44 H44B 108.0 .
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 118.6(4) .
C37 N31 Ni2 123.5(3) .
C38 N31 Ni2 117.8(3) .
C36 O31 Ni2 121.1(3) .
C36 O31 Pr1 126.6(3) .
Ni2 O31 Pr1 108.01(15) .
C35 O32 C45 116.3(4) .
C35 O32 Pr1 119.8(3) .
C45 O32 Pr1 123.9(3) .
C44 O33 Ni2 120.7(3) .
C44 O33 H33 119.6 .
Ni2 O33 H33 119.6 .
O53 N51 O52 120.3(6) .
O53 N51 O51 120.7(6) .
O52 N51 O51 119.1(6) .
O53 N51 Pr1 59.9(3) .
O52 N51 Pr1 60.4(3) .
O51 N51 Pr1 177.4(6) .
N51 O52 Pr1 93.5(4) .
N51 O53 Pr1 94.5(3) .
O61 N61 O63 122.0(5) .
O61 N61 O62 120.5(5) .
O63 N61 O62 117.5(5) .
N61 O62 Pr1 98.5(3) .
N61 O63 Pr1 94.8(3) .
O72 N71 O71 113.5(9) .
O72 N71 O73 118.4(7) .
O71 N71 O73 127.7(9) .
O72 N71 Pr1 58.2(4) .
O71 N71 Pr1 167.0(10) .
O73 N71 Pr1 60.3(4) .
N71 O72 Pr1 97.4(5) .
N71 O73 Pr1 94.0(5) .
O1S C1S H1S1 109.5 .
O1S C1S H1S2 109.5 .
H1S1 C1S H1S2 109.5 .
O1S C1S H1S3 109.5 .
H1S1 C1S H1S3 109.5 .
H1S2 C1S H1S3 109.5 .
C1S O1S H1S 109.5 .
O2S C2S C2S 102(3) 3_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O31 2.413(4) .
Pr1 O11 2.479(3) .
Pr1 O53 2.507(4) .
Pr1 O52 2.516(4) .
Pr1 O72 2.563(4) .
Pr1 O62 2.563(4) .
Pr1 O32 2.599(4) .
Pr1 O73 2.605(6) .
Pr1 O12 2.610(4) .
Pr1 O63 2.647(4) .
Pr1 N51 2.888(6) .
Pr1 N71 2.990(8) .
Ni2 O11 2.009(3) .
Ni2 N11 2.015(4) .
Ni2 N31 2.030(4) .
Ni2 O31 2.032(4) .
Ni2 O13 2.099(3) .
Ni2 O33 2.121(4) .
C11 C12 1.408(7) .
C11 C16 1.411(7) .
C11 C17 1.453(7) .
C12 C13 1.367(7) .
C12 H12A 0.9500 .
C13 C14 1.398(8) .
C13 H13A 0.9500 .
C14 C15 1.381(7) .
C14 H14A 0.9500 .
C15 O12 1.376(6) .
C15 C16 1.415(7) .
C16 O11 1.325(6) .
C17 N11 1.286(6) .
C17 H17A 0.9500 .
C18 C19 1.400(7) .
C18 C23 1.406(7) .
C18 N11 1.431(6) .
C19 C20 1.391(7) .
C19 H19A 0.9500 .
C20 C21 1.378(8) .
C20 H20A 0.9500 .
C21 C22 1.376(8) .
C21 H21A 0.9500 .
C22 C23 1.406(7) .
C22 H22A 0.9500 .
C23 C24 1.509(7) .
C24 O13 1.430(6) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 O12 1.449(7) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
O13 H13 0.9500 .
C31 C32 1.407(7) .
C31 C36 1.412(7) .
C31 C37 1.460(7) .
C32 C33 1.372(7) .
C32 H32A 0.9500 .
C33 C34 1.402(8) .
C33 H33A 0.9500 .
C34 C35 1.383(7) .
C34 H34A 0.9500 .
C35 O32 1.377(6) .
C35 C36 1.419(7) .
C36 O31 1.324(6) .
C37 N31 1.286(7) .
C37 H37A 0.9500 .
C38 C39 1.386(8) .
C38 C43 1.388(8) .
C38 N31 1.425(6) .
C39 C40 1.398(8) .
C39 H39A 0.9500 .
C40 C41 1.378(10) .
C40 H40A 0.9500 .
C41 C42 1.380(10) .
C41 H41A 0.9500 .
C42 C43 1.395(8) .
C42 H42A 0.9500 .
C43 C44 1.503(8) .
C44 O33 1.439(6) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 O32 1.456(6) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
O33 H33 0.9500 .
N51 O53 1.250(8) .
N51 O52 1.272(7) .
N51 O51 1.510(10) .
N61 O61 1.226(6) .
N61 O63 1.265(6) .
N61 O62 1.273(6) .
N71 O72 1.246(9) .
N71 O71 1.283(11) .
N71 O73 1.297(10) .
C1S O1S 1.418(8) .
C1S H1S1 0.9800 .
C1S H1S2 0.9800 .
C1S H1S3 0.9800 .
O1S H1S 0.8400 .
O2S C2S 1.4001(11) .
C2S C2S 1.55(7) 3_756
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
C16 C11 C12 C13 0.5(7)
C17 C11 C12 C13 174.0(5)
C11 C12 C13 C14 -1.4(8)
C12 C13 C14 C15 1.4(8)
C13 C14 C15 O12 -178.8(5)
C13 C14 C15 C16 -0.5(8)
C12 C11 C16 O11 -179.7(4)
C17 C11 C16 O11 7.3(8)
C12 C11 C16 C15 0.5(7)
C17 C11 C16 C15 -172.6(5)
O12 C15 C16 O11 -1.9(7)
C14 C15 C16 O11 179.7(5)
O12 C15 C16 C11 178.0(4)
C14 C15 C16 C11 -0.5(8)
C12 C11 C17 N11 170.9(5)
C16 C11 C17 N11 -15.9(8)
C23 C18 C19 C20 1.4(8)
N11 C18 C19 C20 179.5(5)
C18 C19 C20 C21 0.3(8)
C19 C20 C21 C22 -0.9(9)
C20 C21 C22 C23 -0.3(10)
C21 C22 C23 C18 1.9(9)
C21 C22 C23 C24 179.6(6)
C19 C18 C23 C22 -2.5(8)
N11 C18 C23 C22 179.4(5)
C19 C18 C23 C24 -179.9(5)
N11 C18 C23 C24 2.0(8)
C22 C23 C24 O13 174.6(5)
C18 C23 C24 O13 -8.0(8)
C11 C17 N11 C18 174.2(4)
C11 C17 N11 Ni2 -3.2(7)
C19 C18 N11 C17 48.7(7)
C23 C18 N11 C17 -133.2(5)
C19 C18 N11 Ni2 -133.7(4)
C23 C18 N11 Ni2 44.4(6)
O11 Ni2 N11 C17 19.8(4)
N31 Ni2 N11 C17 -151.7(4)
O31 Ni2 N11 C17 69.4(8)
O13 Ni2 N11 C17 116.5(4)
O33 Ni2 N11 C17 -65.8(4)
O11 Ni2 N11 C18 -157.6(3)
N31 Ni2 N11 C18 30.9(4)
O31 Ni2 N11 C18 -108.1(7)
O13 Ni2 N11 C18 -60.9(3)
O33 Ni2 N11 C18 116.8(3)
C11 C16 O11 Ni2 18.4(7)
C15 C16 O11 Ni2 -161.7(3)
C11 C16 O11 Pr1 169.4(4)
C15 C16 O11 Pr1 -10.8(6)
N11 Ni2 O11 C16 -27.2(4)
N31 Ni2 O11 C16 120.3(6)
O31 Ni2 O11 C16 162.9(4)
O13 Ni2 O11 C16 -108.7(4)
O33 Ni2 O11 C16 61.7(4)
N11 Ni2 O11 Pr1 177.28(15)
N31 Ni2 O11 Pr1 -35.3(6)
O31 Ni2 O11 Pr1 7.35(14)
O13 Ni2 O11 Pr1 95.75(15)
O33 Ni2 O11 Pr1 -93.89(15)
O31 Pr1 O11 C16 -161.8(4)
O53 Pr1 O11 C16 70.0(4)
O52 Pr1 O11 C16 103.2(4)
O72 Pr1 O11 C16 -73.0(4)
O62 Pr1 O11 C16 -19.9(4)
O32 Pr1 O11 C16 165.9(3)
O73 Pr1 O11 C16 -101.7(4)
O12 Pr1 O11 C16 12.0(3)
O63 Pr1 O11 C16 -33.1(13)
N51 Pr1 O11 C16 86.3(4)
N71 Pr1 O11 C16 -86.0(4)
O31 Pr1 O11 Ni2 -6.76(13)
O53 Pr1 O11 Ni2 -135.03(15)
O52 Pr1 O11 Ni2 -101.80(16)
O72 Pr1 O11 Ni2 82.04(18)
O62 Pr1 O11 Ni2 135.13(17)
O32 Pr1 O11 Ni2 -39.11(19)
O73 Pr1 O11 Ni2 53.3(2)
O12 Pr1 O11 Ni2 167.0(2)
O63 Pr1 O11 Ni2 121.9(11)
N51 Pr1 O11 Ni2 -118.71(17)
N71 Pr1 O11 Ni2 69.0(2)
C14 C15 O12 C25 5.3(8)
C16 C15 O12 C25 -173.1(5)
C14 C15 O12 Pr1 -169.1(4)
C16 C15 O12 Pr1 12.5(6)
O31 Pr1 O12 C15 -5.5(4)
O11 Pr1 O12 C15 -12.4(3)
O53 Pr1 O12 C15 -139.0(4)
O52 Pr1 O12 C15 -86.9(4)
O72 Pr1 O12 C15 63.1(4)
O62 Pr1 O12 C15 139.7(4)
O32 Pr1 O12 C15 -107.1(4)
O73 Pr1 O12 C15 87.9(4)
O63 Pr1 O12 C15 162.0(3)
N51 Pr1 O12 C15 -112.8(4)
N71 Pr1 O12 C15 75.3(4)
O31 Pr1 O12 C25 -179.4(5)
O11 Pr1 O12 C25 173.7(5)
O53 Pr1 O12 C25 47.1(5)
O52 Pr1 O12 C25 99.3(5)
O72 Pr1 O12 C25 -110.8(5)
O62 Pr1 O12 C25 -34.2(5)
O32 Pr1 O12 C25 79.1(6)
O73 Pr1 O12 C25 -85.9(5)
O63 Pr1 O12 C25 -11.8(5)
N51 Pr1 O12 C25 73.3(5)
N71 Pr1 O12 C25 -98.5(5)
C23 C24 O13 Ni2 -31.1(6)
O11 Ni2 O13 C24 145.1(4)
N11 Ni2 O13 C24 54.9(4)
N31 Ni2 O13 C24 -46.6(4)
O31 Ni2 O13 C24 -134.6(4)
O33 Ni2 O13 C24 41.4(10)
C36 C31 C32 C33 1.4(8)
C37 C31 C32 C33 175.0(5)
C31 C32 C33 C34 -1.5(8)
C32 C33 C34 C35 0.6(8)
C33 C34 C35 O32 -179.7(5)
C33 C34 C35 C36 0.3(8)
C32 C31 C36 O31 177.2(5)
C37 C31 C36 O31 4.0(8)
C32 C31 C36 C35 -0.5(7)
C37 C31 C36 C35 -173.7(5)
O32 C35 C36 O31 1.8(7)
C34 C35 C36 O31 -178.2(5)
O32 C35 C36 C31 179.7(4)
C34 C35 C36 C31 -0.3(8)
C32 C31 C37 N31 172.3(5)
C36 C31 C37 N31 -14.4(8)
C43 C38 C39 C40 -0.6(9)
N31 C38 C39 C40 -179.8(5)
C38 C39 C40 C41 0.6(10)
C39 C40 C41 C42 -1.1(10)
C40 C41 C42 C43 1.7(10)
C39 C38 C43 C42 1.1(8)
N31 C38 C43 C42 -179.6(5)
C39 C38 C43 C44 -172.3(5)
N31 C38 C43 C44 6.9(8)
C41 C42 C43 C38 -1.7(9)
C41 C42 C43 C44 171.9(6)
C38 C43 C44 O33 -59.5(7)
C42 C43 C44 O33 127.1(5)
C31 C37 N31 C38 170.3(5)
C31 C37 N31 Ni2 -11.5(7)
C39 C38 N31 C37 51.1(7)
C43 C38 N31 C37 -128.2(5)
C39 C38 N31 Ni2 -127.2(5)
C43 C38 N31 Ni2 53.5(6)
O11 Ni2 N31 C37 73.5(7)
N11 Ni2 N31 C37 -139.9(4)
O31 Ni2 N31 C37 31.6(4)
O13 Ni2 N31 C37 -57.9(4)
O33 Ni2 N31 C37 132.0(4)
O11 Ni2 N31 C38 -108.4(6)
N11 Ni2 N31 C38 38.3(4)
O31 Ni2 N31 C38 -150.3(4)
O13 Ni2 N31 C38 120.3(4)
O33 Ni2 N31 C38 -49.8(4)
C31 C36 O31 Ni2 29.5(7)
C35 C36 O31 Ni2 -152.8(4)
C31 C36 O31 Pr1 -176.6(4)
C35 C36 O31 Pr1 1.1(6)
O11 Ni2 O31 C36 150.5(4)
N11 Ni2 O31 C36 100.0(7)
N31 Ni2 O31 C36 -40.0(4)
O13 Ni2 O31 C36 53.6(4)
O33 Ni2 O31 C36 -125.8(4)
O11 Ni2 O31 Pr1 -7.62(15)
N11 Ni2 O31 Pr1 -58.1(7)
N31 Ni2 O31 Pr1 161.87(17)
O13 Ni2 O31 Pr1 -104.59(16)
O33 Ni2 O31 Pr1 76.10(17)
O11 Pr1 O31 C36 -149.9(4)
O53 Pr1 O31 C36 -51.4(5)
O52 Pr1 O31 C36 -77.4(4)
O72 Pr1 O31 C36 136.8(4)
O62 Pr1 O31 C36 97.0(4)
O32 Pr1 O31 C36 -2.1(4)
O73 Pr1 O31 C36 85.9(4)
O12 Pr1 O31 C36 -156.6(4)
O63 Pr1 O31 C36 36.6(4)
N51 Pr1 O31 C36 -66.9(4)
N71 Pr1 O31 C36 112.2(4)
O11 Pr1 O31 Ni2 6.74(13)
O53 Pr1 O31 Ni2 105.2(2)
O52 Pr1 O31 Ni2 79.24(17)
O72 Pr1 O31 Ni2 -66.55(17)
O62 Pr1 O31 Ni2 -106.4(2)
O32 Pr1 O31 Ni2 154.5(2)
O73 Pr1 O31 Ni2 -117.4(2)
O12 Pr1 O31 Ni2 0.1(2)
O63 Pr1 O31 Ni2 -166.77(15)
N51 Pr1 O31 Ni2 89.8(2)
N71 Pr1 O31 Ni2 -91.2(2)
C34 C35 O32 C45 -4.8(8)
C36 C35 O32 C45 175.2(4)
C34 C35 O32 Pr1 176.4(4)
C36 C35 O32 Pr1 -3.7(6)
O31 Pr1 O32 C35 3.0(3)
O11 Pr1 O32 C35 36.1(4)
O53 Pr1 O32 C35 149.2(4)
O52 Pr1 O32 C35 97.4(4)
O72 Pr1 O32 C35 -50.0(4)
O62 Pr1 O32 C35 -138.5(4)
O73 Pr1 O32 C35 -74.9(4)
O12 Pr1 O32 C35 118.1(4)
O63 Pr1 O32 C35 -141.4(4)
N51 Pr1 O32 C35 123.8(4)
N71 Pr1 O32 C35 -64.3(4)
O31 Pr1 O32 C45 -175.8(4)
O11 Pr1 O32 C45 -142.7(4)
O53 Pr1 O32 C45 -29.5(4)
O52 Pr1 O32 C45 -81.4(4)
O72 Pr1 O32 C45 131.2(4)
O62 Pr1 O32 C45 42.7(4)
O73 Pr1 O32 C45 106.3(4)
O12 Pr1 O32 C45 -60.6(5)
O63 Pr1 O32 C45 39.8(4)
N51 Pr1 O32 C45 -54.9(4)
N71 Pr1 O32 C45 116.9(4)
C43 C44 O33 Ni2 46.5(5)
O11 Ni2 O33 C44 166.7(4)
N11 Ni2 O33 C44 -102.0(4)
N31 Ni2 O33 C44 0.0(4)
O31 Ni2 O33 C44 87.3(4)
O13 Ni2 O33 C44 -88.7(9)
O31 Pr1 N51 O53 153.1(3)
O11 Pr1 N51 O53 -143.2(4)
O52 Pr1 N51 O53 177.6(6)
O72 Pr1 N51 O53 -92.8(5)
O62 Pr1 N51 O53 -17.7(4)
O32 Pr1 N51 O53 98.7(4)
O73 Pr1 N51 O53 53.6(6)
O12 Pr1 N51 O53 -83.6(4)
O63 Pr1 N51 O53 30.6(4)
N71 Pr1 N51 O53 -20.9(15)
O31 Pr1 N51 O52 -24.5(4)
O11 Pr1 N51 O52 39.2(4)
O53 Pr1 N51 O52 -177.6(6)
O72 Pr1 N51 O52 89.6(5)
O62 Pr1 N51 O52 164.6(3)
O32 Pr1 N51 O52 -78.9(4)
O73 Pr1 N51 O52 -124.0(5)
O12 Pr1 N51 O52 98.8(4)
O63 Pr1 N51 O52 -147.1(4)
N71 Pr1 N51 O52 161.4(12)
O31 Pr1 N51 O51 -103(11)
O11 Pr1 N51 O51 -39(11)
O53 Pr1 N51 O51 104(11)
O52 Pr1 N51 O51 -79(11)
O72 Pr1 N51 O51 11(11)
O62 Pr1 N51 O51 86(11)
O32 Pr1 N51 O51 -158(11)
O73 Pr1 N51 O51 157(11)
O12 Pr1 N51 O51 20(11)
O63 Pr1 N51 O51 134(11)
N71 Pr1 N51 O51 83(11)
O53 N51 O52 Pr1 -2.4(6)
O51 N51 O52 Pr1 177.1(6)
O31 Pr1 O52 N51 157.2(4)
O11 Pr1 O52 N51 -138.7(4)
O53 Pr1 O52 N51 1.3(3)
O72 Pr1 O52 N51 -132.5(4)
O62 Pr1 O52 N51 -18.9(4)
O32 Pr1 O52 N51 95.3(4)
O73 Pr1 O52 N51 114.3(5)
O12 Pr1 O52 N51 -76.7(4)
O63 Pr1 O52 N51 36.0(4)
N71 Pr1 O52 N51 -170.5(7)
O52 N51 O53 Pr1 2.4(6)
O51 N51 O53 Pr1 -177.1(6)
O31 Pr1 O53 N51 -35.3(4)
O11 Pr1 O53 N51 40.6(4)
O52 Pr1 O53 N51 -1.3(3)
O72 Pr1 O53 N51 130.4(4)
O62 Pr1 O53 N51 162.2(4)
O32 Pr1 O53 N51 -77.6(4)
O73 Pr1 O53 N51 -150.0(4)
O12 Pr1 O53 N51 90.5(4)
O63 Pr1 O53 N51 -146.9(4)
N71 Pr1 O53 N51 174.2(4)
O61 N61 O62 Pr1 -179.7(6)
O63 N61 O62 Pr1 1.9(6)
O31 Pr1 O62 N61 -85.2(4)
O11 Pr1 O62 N61 -178.9(3)
O53 Pr1 O62 N61 71.7(4)
O52 Pr1 O62 N61 87.8(4)
O72 Pr1 O62 N61 -126.6(4)
O32 Pr1 O62 N61 -4.6(4)
O73 Pr1 O62 N61 -73.9(4)
O12 Pr1 O62 N61 151.5(4)
O63 Pr1 O62 N61 -1.1(3)
N51 Pr1 O62 N61 79.4(4)
N71 Pr1 O62 N61 -101.1(4)
O61 N61 O63 Pr1 179.8(6)
O62 N61 O63 Pr1 -1.8(6)
O31 Pr1 O63 N61 141.2(4)
O11 Pr1 O63 N61 15.6(13)
O53 Pr1 O63 N61 -90.3(4)
O52 Pr1 O63 N61 -118.9(4)
O72 Pr1 O63 N61 54.1(4)
O62 Pr1 O63 N61 1.1(3)
O32 Pr1 O63 N61 177.7(4)
O73 Pr1 O63 N61 87.2(4)
O12 Pr1 O63 N61 -27.0(4)
N51 Pr1 O63 N61 -103.9(4)
N71 Pr1 O63 N61 68.9(4)
O31 Pr1 N71 O72 94.5(5)
O11 Pr1 N71 O72 31.1(5)
O53 Pr1 N71 O72 -107.1(5)
O52 Pr1 N71 O72 61.4(10)
O62 Pr1 N71 O72 -94.5(5)
O32 Pr1 N71 O72 151.0(5)
O73 Pr1 N71 O72 175.7(9)
O12 Pr1 N71 O72 -30.0(5)
O63 Pr1 N71 O72 -143.1(5)
N51 Pr1 N71 O72 -91.2(13)
O31 Pr1 N71 O71 148(3)
O11 Pr1 N71 O71 84(3)
O53 Pr1 N71 O71 -54(3)
O52 Pr1 N71 O71 114(3)
O72 Pr1 N71 O71 53(3)
O62 Pr1 N71 O71 -41(3)
O32 Pr1 N71 O71 -156(3)
O73 Pr1 N71 O71 -131(3)
O12 Pr1 N71 O71 23(3)
O63 Pr1 N71 O71 -90(3)
N51 Pr1 N71 O71 -38(4)
O31 Pr1 N71 O73 -81.3(5)
O11 Pr1 N71 O73 -144.6(5)
O53 Pr1 N71 O73 77.2(7)
O52 Pr1 N71 O73 -114.4(7)
O72 Pr1 N71 O73 -175.7(9)
O62 Pr1 N71 O73 89.7(5)
O32 Pr1 N71 O73 -24.8(5)
O12 Pr1 N71 O73 154.3(5)
O63 Pr1 N71 O73 41.2(5)
N51 Pr1 N71 O73 93.1(15)
O71 N71 O72 Pr1 -168.7(10)
O73 N71 O72 Pr1 4.2(9)
O31 Pr1 O72 N71 -80.9(5)
O11 Pr1 O72 N71 -146.9(5)
O53 Pr1 O72 N71 109.6(6)
O52 Pr1 O72 N71 -153.1(5)
O62 Pr1 O72 N71 77.1(5)
O32 Pr1 O72 N71 -35.3(5)
O73 Pr1 O72 N71 -2.4(5)
O12 Pr1 O72 N71 149.4(5)
O63 Pr1 O72 N71 37.9(5)
N51 Pr1 O72 N71 158.7(5)
O72 N71 O73 Pr1 -4.1(9)
O71 N71 O73 Pr1 167.7(12)
O31 Pr1 O73 N71 92.6(5)
O11 Pr1 O73 N71 38.8(6)
O53 Pr1 O73 N71 -130.6(5)
O52 Pr1 O73 N71 137.3(5)
O72 Pr1 O73 N71 2.3(5)
O62 Pr1 O73 N71 -80.9(5)
O32 Pr1 O73 N71 155.9(5)
O12 Pr1 O73 N71 -30.0(6)
O63 Pr1 O73 N71 -133.8(6)
N51 Pr1 O73 N71 -159.4(5)
