#------------------------------------------------------------------------------
#$Date: 2020-09-06 13:25:13 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256184 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/82/1558293.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_1558293
loop_
_publ_author_name
'Hasegawa, Miki'
'Sakurai, Shoya'
'Yamaguchi, Masafumi Andrew'
'Iwasawa, Daichi'
'Yajima, Naho'
'Ogata, Shuhei'
'Inazuka, Yudai'
'Ishii, Ayumi'
'Suzuki, Kengo'
_publ_section_title
;
 Aspects of lanthanide complexes for selectivity, intensity and sharpness
 in luminescence bands from twenty-four praseodymium, europium and
 gadolinium complexes with differently distorted-hexadentate ligands.
;
_journal_issue                   8
_journal_name_full
'Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology'
_journal_page_first              1054
_journal_page_last               1062
_journal_paper_doi               10.1039/d0pp00069h
_journal_volume                  19
_journal_year                    2020
_chemical_formula_sum            'C26 H23 F6 N9 O6 P Pr'
_chemical_formula_weight         843.41
_chemical_name_systematic        PrL
_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-2013
_audit_update_record
;
2014-08-04 deposited with the CCDC.	2020-06-12 downloaded from the CCDC.
;
_cell_angle_alpha                110.1560(10)
_cell_angle_beta                 105.64
_cell_angle_gamma                92.5860(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9374(5)
_cell_length_b                   12.2439(6)
_cell_length_c                   16.3426(9)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    90
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.38
_cell_volume                     1597.71(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.941
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0200
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.941
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18146
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.941
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.051
_diffrn_reflns_theta_min         1.793
_exptl_absorpt_coefficient_mu    1.665
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
SADABS Sheldrick 1996 
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             836
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.470
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.320
_exptl_transmission_factor_max   1.97
_exptl_transmission_factor_min   1.62
_refine_diff_density_max         3.307
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     443
_refine_ls_number_reflns         7301
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0437P)²+3.3770P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0819
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7111
_reflns_number_total             7301
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0pp00069h2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 1558290--1558295.cif.'
_cod_original_cell_volume        1597.73(15)
_cod_database_code               1558293
_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   0.508
_shelx_estimated_absorpt_t_max   0.618
_shelxl_version_number           2013-4
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
Pr1 Pr 0.93274(2) 0.83679(2) 0.69253(2) 0.01319(6) Uani 1 1 d . . . . .
N8 N 1.2008(3) 0.8644(2) 0.62071(16) 0.0179(5) Uani 1 1 d . . . . .
N7 N 0.6560(3) 0.8379(2) 0.76154(16) 0.0186(5) Uani 1 1 d . . . . .
O6 O 1.3146(3) 0.86995(19) 0.59338(16) 0.0242(4) Uani 1 1 d . . . . .
O5 O 1.2148(2) 0.90295(17) 0.70613(13) 0.0192(4) Uani 1 1 d . . . . .
O4 O 1.0632(2) 0.81971(18) 0.56606(14) 0.0203(4) Uani 1 1 d . . . . .
O1 O 0.6945(2) 0.74145(18) 0.71622(14) 0.0206(4) Uani 1 1 d . . . . .
O3 O 0.5576(3) 0.8395(2) 0.80142(15) 0.0275(5) Uani 1 1 d . . . . .
O2 O 0.7266(2) 0.93230(18) 0.76427(14) 0.0204(4) Uani 1 1 d . . . . .
N2 N 1.0662(3) 1.0382(2) 0.83110(16) 0.0178(5) Uani 1 1 d . . . . .
N5 N 0.8132(3) 0.6276(2) 0.56286(15) 0.0158(4) Uani 1 1 d . . . . .
N1 N 1.0274(3) 0.8397(2) 0.86178(16) 0.0182(5) Uani 1 1 d . . . . .
N4 N 0.7037(3) 0.8266(2) 0.55282(16) 0.0180(5) Uani 1 1 d . . . . .
N6 N 1.0864(3) 0.6558(2) 0.69208(15) 0.0162(4) Uani 1 1 d . . . . .
N3 N 0.9069(3) 1.0299(2) 0.66231(16) 0.0193(5) Uani 1 1 d . . . . .
C15 C 0.6825(3) 0.6182(2) 0.49451(18) 0.0175(5) Uani 1 1 d . . . . .
C20 C 1.0163(3) 0.5435(2) 0.64069(18) 0.0158(5) Uani 1 1 d . . . . .
C19 C 0.8640(3) 0.5286(2) 0.56932(18) 0.0161(5) Uani 1 1 d . . . . .
C16 C 0.5978(3) 0.5107(3) 0.43058(19) 0.0205(6) Uani 1 1 d . . . . .
H1 H 0.5082 0.5073 0.3821 0.025 Uiso 1 1 calc R U . . .
C11 C 0.9737(4) 1.1299(3) 0.7227(2) 0.0216(6) Uani 1 1 d . . . . .
H10 H 0.9622 1.1989 0.7089 0.026 Uiso 1 1 calc R U . . .
C10 C 1.0692(3) 1.1386(3) 0.8143(2) 0.0209(6) Uani 1 1 d . . . . .
C6 C 1.1490(3) 1.0414(3) 0.91384(19) 0.0198(5) Uani 1 1 d . . . . .
C14 C 0.6339(3) 0.7294(3) 0.48922(19) 0.0199(5) Uani 1 1 d . . . . .
H2 H 0.5507 0.7286 0.4385 0.024 Uiso 1 1 calc R U . . .
C1 C 0.9989(3) 0.7402(3) 0.8758(2) 0.0212(6) Uani 1 1 d . . . . .
H7 H 0.9261 0.6768 0.8277 0.025 Uiso 1 1 calc R U . . .
C21 C 1.0853(3) 0.4479(2) 0.6521(2) 0.0202(5) Uani 1 1 d . . . . .
H6A H 1.0334 0.3697 0.6159 0.024 Uiso 1 1 calc R U . . .
N9 N 0.2471(4) 0.1664(3) 0.6515(2) 0.0300(6) Uani 1 1 d . . . . .
C25 C 0.3448(4) 0.1503(3) 0.7059(2) 0.0249(6) Uani 1 1 d . . . . .
C26 C 0.4682(4) 0.1308(3) 0.7760(3) 0.0349(8) Uani 1 1 d . . . . .
H12A H 0.5015 0.2027 0.8311 0.052 Uiso 1 1 calc R U . . .
H12B H 0.5581 0.1101 0.7534 0.052 Uiso 1 1 calc R U . . .
H12C H 0.4282 0.0663 0.7908 0.052 Uiso 1 1 calc R U . . .
C17 C 0.6477(3) 0.4086(3) 0.4397(2) 0.0218(6) Uani 1 1 d . . . . .
H15 H 0.5908 0.3336 0.3984 0.026 Uiso 1 1 calc R U . . .
C18 C 0.7816(3) 0.4174(2) 0.5098(2) 0.0199(5) Uani 1 1 d . . . . .
H16 H 0.8170 0.3484 0.5173 0.024 Uiso 1 1 calc R U . . .
C12 C 0.8099(4) 1.0223(3) 0.5720(2) 0.0224(6) Uani 1 1 d . . . . .
H14A H 0.8670 0.9932 0.5264 0.027 Uiso 1 1 calc R U . . .
H14B H 0.7845 1.1009 0.5741 0.027 Uiso 1 1 calc R U . . .
C13 C 0.6595(4) 0.9374(3) 0.5454(2) 0.0216(6) Uani 1 1 d . . . . .
H13A H 0.5963 0.9711 0.5868 0.026 Uiso 1 1 calc R U . . .
H13B H 0.5957 0.9234 0.4820 0.026 Uiso 1 1 calc R U . . .
C5 C 1.1298(3) 0.9309(3) 0.93068(19) 0.0190(5) Uani 1 1 d . . . . .
C4 C 1.2069(4) 0.9214(3) 1.0138(2) 0.0276(6) Uani 1 1 d . . . . .
H21 H 1.2799 0.9855 1.0611 0.033 Uiso 1 1 calc R U . . .
C2 C 1.0702(4) 0.7254(3) 0.9571(2) 0.0280(7) Uani 1 1 d . . . . .
H23 H 1.0470 0.6537 0.9647 0.034 Uiso 1 1 calc R U . . .
C8 C 1.2449(4) 1.2474(3) 0.9632(2) 0.0322(7) Uani 1 1 d . . . . .
H18 H 1.3070 1.3185 1.0081 0.039 Uiso 1 1 calc R U . . .
C7 C 1.2432(4) 1.1451(3) 0.9813(2) 0.0278(7) Uani 1 1 d . . . . .
H19 H 1.3048 1.1450 1.0386 0.033 Uiso 1 1 calc R U . . .
C9 C 1.1548(4) 1.2452(3) 0.8786(2) 0.0277(6) Uani 1 1 d . . . . .
H17 H 1.1519 1.3148 0.8652 0.033 Uiso 1 1 calc R U . . .
C3 C 1.1762(4) 0.8181(3) 1.0267(2) 0.0327(7) Uani 1 1 d . . . . .
H22 H 1.2275 0.8106 1.0832 0.039 Uiso 1 1 calc R U . . .
C24 C 1.2290(3) 0.6737(2) 0.75317(19) 0.0189(5) Uani 1 1 d . . . . .
H26 H 1.2800 0.7524 0.7881 0.023 Uiso 1 1 calc R U . . .
C23 C 1.3054(3) 0.5824(3) 0.7676(2) 0.0225(6) Uani 1 1 d . . . . .
H25 H 1.4063 0.5982 0.8113 0.027 Uiso 1 1 calc R U . . .
C22 C 1.2310(4) 0.4683(3) 0.7170(2) 0.0234(6) Uani 1 1 d . . . . .
H24 H 1.2790 0.4042 0.7265 0.028 Uiso 1 1 calc R U . . .
F6 F 0.9345(3) 0.4314(2) 0.79889(18) 0.0467(6) Uani 1 1 d . . . . .
F4 F 0.7804(3) 0.3126(2) 0.8292(2) 0.0517(7) Uani 1 1 d . . . . .
F5 F 0.5673(3) 0.3849(2) 0.7671(3) 0.0689(9) Uani 1 1 d . . . . .
F2 F 0.7278(4) 0.5003(3) 0.7332(2) 0.0670(9) Uani 1 1 d . . . . .
F3 F 0.7752(4) 0.5113(3) 0.8786(2) 0.0707(9) Uani 1 1 d . . . . .
F1 F 0.7300(4) 0.3060(3) 0.6867(2) 0.0795(10) Uani 1 1 d . . . . .
P1 P 0.75067(11) 0.40876(7) 0.78496(7) 0.03160(19) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
O5 Pr1 O2 135.11(6) . . ?
O5 Pr1 O1 161.33(7) . . ?
O2 Pr1 O1 50.13(6) . . ?
O5 Pr1 N3 78.85(7) . . ?
O2 Pr1 N3 73.39(7) . . ?
O1 Pr1 N3 117.08(7) . . ?
O5 Pr1 N4 120.79(7) . . ?
O2 Pr1 N4 76.62(7) . . ?
O1 Pr1 N4 76.89(7) . . ?
N3 Pr1 N4 63.84(8) . . ?
O5 Pr1 O4 50.06(6) . . ?
O2 Pr1 O4 144.20(7) . . ?
O1 Pr1 O4 140.32(6) . . ?
N3 Pr1 O4 74.34(7) . . ?
N4 Pr1 O4 75.56(7) . . ?
O5 Pr1 N5 112.94(7) . . ?
O2 Pr1 N5 111.65(7) . . ?
O1 Pr1 N5 68.13(7) . . ?
N3 Pr1 N5 122.39(7) . . ?
N4 Pr1 N5 62.35(7) . . ?
O4 Pr1 N5 73.96(7) . . ?
O5 Pr1 N1 89.69(7) . . ?
O2 Pr1 N1 75.84(7) . . ?
O1 Pr1 N1 73.94(7) . . ?
N3 Pr1 N1 120.99(7) . . ?
N4 Pr1 N1 148.57(8) . . ?
O4 Pr1 N1 135.60(7) . . ?
N5 Pr1 N1 115.44(7) . . ?
O5 Pr1 N2 65.93(7) . . ?
O2 Pr1 N2 70.04(7) . . ?
O1 Pr1 N2 111.39(7) . . ?
N3 Pr1 N2 62.14(8) . . ?
N4 Pr1 N2 122.25(7) . . ?
O4 Pr1 N2 107.35(7) . . ?
N5 Pr1 N2 175.34(7) . . ?
N1 Pr1 N2 60.41(7) . . ?
O5 Pr1 N6 73.10(7) . . ?
O2 Pr1 N6 136.40(7) . . ?
O1 Pr1 N6 92.83(7) . . ?
N3 Pr1 N6 149.36(8) . . ?
N4 Pr1 N6 121.77(7) . . ?
O4 Pr1 N6 78.27(7) . . ?
N5 Pr1 N6 60.74(7) . . ?
N1 Pr1 N6 71.52(7) . . ?
N2 Pr1 N6 114.92(7) . . ?
O5 Pr1 N7 154.25(6) . . ?
O2 Pr1 N7 25.11(7) . . ?
O1 Pr1 N7 25.24(7) . . ?
N3 Pr1 N7 96.45(7) . . ?
N4 Pr1 N7 77.75(7) . . ?
O4 Pr1 N7 153.15(6) . . ?
N5 Pr1 N7 91.10(7) . . ?
N1 Pr1 N7 70.88(7) . . ?
N2 Pr1 N7 89.35(7) . . ?
N6 Pr1 N7 114.18(7) . . ?
O5 Pr1 N8 25.05(6) . . ?
O2 Pr1 N8 148.06(6) . . ?
O1 Pr1 N8 160.51(6) . . ?
N3 Pr1 N8 76.29(7) . . ?
N4 Pr1 N8 98.79(7) . . ?
O4 Pr1 N8 25.05(7) . . ?
N5 Pr1 N8 92.91(7) . . ?
N1 Pr1 N8 112.60(7) . . ?
N2 Pr1 N8 87.14(7) . . ?
N6 Pr1 N8 73.08(7) . . ?
N7 Pr1 N8 172.74(7) . . ?
O6 N8 O4 122.0(2) . . ?
O6 N8 O5 121.4(2) . . ?
O4 N8 O5 116.6(2) . . ?
O6 N8 Pr1 175.68(19) . . ?
O4 N8 Pr1 59.46(13) . . ?
O5 N8 Pr1 57.30(13) . . ?
O3 N7 O2 121.7(2) . . ?
O3 N7 O1 121.7(2) . . ?
O2 N7 O1 116.7(2) . . ?
O3 N7 Pr1 170.79(19) . . ?
O2 N7 Pr1 58.57(13) . . ?
O1 N7 Pr1 58.85(13) . . ?
N8 O5 Pr1 97.65(15) . . ?
N8 O4 Pr1 95.48(15) . . ?
N7 O1 Pr1 95.91(15) . . ?
N7 O2 Pr1 96.32(15) . . ?
C6 N2 C10 118.7(2) . . ?
C6 N2 Pr1 122.06(19) . . ?
C10 N2 Pr1 118.62(18) . . ?
C19 N5 C15 118.5(2) . . ?
C19 N5 Pr1 122.19(17) . . ?
C15 N5 Pr1 118.64(18) . . ?
C1 N1 C5 118.5(2) . . ?
C1 N1 Pr1 118.88(18) . . ?
C5 N1 Pr1 121.30(18) . . ?
C14 N4 C13 119.6(2) . . ?
C14 N4 Pr1 122.13(19) . . ?
C13 N4 Pr1 118.20(17) . . ?
C24 N6 C20 118.2(2) . . ?
C24 N6 Pr1 119.62(18) . . ?
C20 N6 Pr1 121.51(17) . . ?
C11 N3 C12 119.4(2) . . ?
C11 N3 Pr1 122.5(2) . . ?
C12 N3 Pr1 118.06(17) . . ?
N5 C15 C16 123.1(3) . . ?
N5 C15 C14 116.3(2) . . ?
C16 C15 C14 120.6(3) . . ?
N6 C20 C21 121.8(3) . . ?
N6 C20 C19 116.0(2) . . ?
C21 C20 C19 122.2(2) . . ?
N5 C19 C18 121.7(3) . . ?
N5 C19 C20 116.4(2) . . ?
C18 C19 C20 121.9(3) . . ?
C17 C16 C15 118.1(3) . . ?
C17 C16 H1 120.9 . . ?
C15 C16 H1 120.9 . . ?
N3 C11 C10 119.9(3) . . ?
N3 C11 H10 120.1 . . ?
C10 C11 H10 120.1 . . ?
N2 C10 C9 123.0(3) . . ?
N2 C10 C11 116.1(3) . . ?
C9 C10 C11 120.9(3) . . ?
N2 C6 C7 121.6(3) . . ?
N2 C6 C5 116.0(2) . . ?
C7 C6 C5 122.4(3) . . ?
N4 C14 C15 119.7(3) . . ?
N4 C14 H2 120.1 . . ?
C15 C14 H2 120.1 . . ?
N1 C1 C2 123.3(3) . . ?
N1 C1 H7 118.4 . . ?
C2 C1 H7 118.4 . . ?
C22 C21 C20 119.1(3) . . ?
C22 C21 H6A 120.5 . . ?
C20 C21 H6A 120.4 . . ?
N9 C25 C26 179.3(4) . . ?
C25 C26 H12A 109.5 . . ?
C25 C26 H12B 109.5 . . ?
H12A C26 H12B 109.5 . . ?
C25 C26 H12C 109.5 . . ?
H12A C26 H12C 109.5 . . ?
H12B C26 H12C 109.5 . . ?
C18 C17 C16 119.2(3) . . ?
C18 C17 H15 120.4 . . ?
C16 C17 H15 120.4 . . ?
C17 C18 C19 119.4(3) . . ?
C17 C18 H16 120.3 . . ?
C19 C18 H16 120.3 . . ?
N3 C12 C13 107.6(2) . . ?
N3 C12 H14A 110.2 . . ?
C13 C12 H14A 110.2 . . ?
N3 C12 H14B 110.2 . . ?
C13 C12 H14B 110.2 . . ?
H14A C12 H14B 108.5 . . ?
N4 C13 C12 108.1(2) . . ?
N4 C13 H13A 110.1 . . ?
C12 C13 H13A 110.1 . . ?
N4 C13 H13B 110.1 . . ?
C12 C13 H13B 110.1 . . ?
H13A C13 H13B 108.4 . . ?
N1 C5 C4 121.2(3) . . ?
N1 C5 C6 116.3(2) . . ?
C4 C5 C6 122.5(3) . . ?
C3 C4 C5 119.4(3) . . ?
C3 C4 H21 120.3 . . ?
C5 C4 H21 120.3 . . ?
C3 C2 C1 118.1(3) . . ?
C3 C2 H23 121.0 . . ?
C1 C2 H23 121.0 . . ?
C7 C8 C9 119.4(3) . . ?
C7 C8 H18 120.3 . . ?
C9 C8 H18 120.3 . . ?
C8 C7 C6 119.1(3) . . ?
C8 C7 H19 120.5 . . ?
C6 C7 H19 120.5 . . ?
C10 C9 C8 118.2(3) . . ?
C10 C9 H17 120.9 . . ?
C8 C9 H17 120.9 . . ?
C4 C3 C2 119.6(3) . . ?
C4 C3 H22 120.2 . . ?
C2 C3 H22 120.2 . . ?
N6 C24 C23 123.0(3) . . ?
N6 C24 H26 118.5 . . ?
C23 C24 H26 118.5 . . ?
C22 C23 C24 118.4(3) . . ?
C22 C23 H25 120.8 . . ?
C24 C23 H25 120.8 . . ?
C23 C22 C21 119.4(3) . . ?
C23 C22 H24 120.3 . . ?
C21 C22 H24 120.3 . . ?
F3 P1 F4 93.75(19) . . ?
F3 P1 F5 92.41(18) . . ?
F4 P1 F5 92.11(15) . . ?
F3 P1 F6 89.44(16) . . ?
F4 P1 F6 88.97(13) . . ?
F5 P1 F6 177.79(18) . . ?
F3 P1 F2 90.54(19) . . ?
F4 P1 F2 174.81(19) . . ?
F5 P1 F2 90.62(16) . . ?
F6 P1 F2 88.16(15) . . ?
F3 P1 F1 177.5(2) . . ?
F4 P1 F1 87.99(18) . . ?
F5 P1 F1 89.3(2) . . ?
F6 P1 F1 88.83(18) . . ?
F2 P1 F1 87.63(19) . . ?
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
Pr1 O5 2.540(2) . ?
Pr1 O2 2.559(2) . ?
Pr1 O1 2.565(2) . ?
Pr1 N3 2.584(2) . ?
Pr1 N4 2.585(2) . ?
Pr1 O4 2.588(2) . ?
Pr1 N5 2.643(2) . ?
Pr1 N1 2.652(2) . ?
Pr1 N2 2.657(2) . ?
Pr1 N6 2.658(2) . ?
Pr1 N7 2.981(2) . ?
Pr1 N8 2.991(2) . ?
N8 O6 1.224(3) . ?
N8 O4 1.273(3) . ?
N8 O5 1.278(3) . ?
N7 O3 1.224(3) . ?
N7 O2 1.273(3) . ?
N7 O1 1.278(3) . ?
N2 C6 1.341(4) . ?
N2 C10 1.350(4) . ?
N5 C19 1.341(4) . ?
N5 C15 1.350(4) . ?
N1 C1 1.340(4) . ?
N1 C5 1.356(4) . ?
N4 C14 1.271(4) . ?
N4 C13 1.465(4) . ?
N6 C24 1.344(4) . ?
N6 C20 1.353(3) . ?
N3 C11 1.270(4) . ?
N3 C12 1.466(4) . ?
C15 C16 1.390(4) . ?
C15 C14 1.471(4) . ?
C20 C21 1.392(4) . ?
C20 C19 1.490(4) . ?
C19 C18 1.398(4) . ?
C16 C17 1.389(4) . ?
C16 H1 0.9500 . ?
C11 C10 1.473(4) . ?
C11 H10 0.9500 . ?
C10 C9 1.387(4) . ?
C6 C7 1.405(4) . ?
C6 C5 1.483(4) . ?
C14 H2 0.9500 . ?
C1 C2 1.387(4) . ?
C1 H7 0.9500 . ?
C21 C22 1.388(4) . ?
C21 H6A 0.9500 . ?
N9 C25 1.144(4) . ?
C25 C26 1.455(5) . ?
C26 H12A 0.9800 . ?
C26 H12B 0.9800 . ?
C26 H12C 0.9800 . ?
C17 C18 1.385(4) . ?
C17 H15 0.9500 . ?
C18 H16 0.9500 . ?
C12 C13 1.525(4) . ?
C12 H14A 0.9900 . ?
C12 H14B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C5 C4 1.395(4) . ?
C4 C3 1.380(5) . ?
C4 H21 0.9500 . ?
C2 C3 1.382(5) . ?
C2 H23 0.9500 . ?
C8 C7 1.383(5) . ?
C8 C9 1.390(5) . ?
C8 H18 0.9500 . ?
C7 H19 0.9500 . ?
C9 H17 0.9500 . ?
C3 H22 0.9500 . ?
C24 C23 1.392(4) . ?
C24 H26 0.9500 . ?
C23 C22 1.379(4) . ?
C23 H25 0.9500 . ?
C22 H24 0.9500 . ?
F6 P1 1.594(3) . ?
F4 P1 1.578(2) . ?
F5 P1 1.580(3) . ?
F2 P1 1.611(3) . ?
F3 P1 1.561(3) . ?
F1 P1 1.619(3) . ?
