#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/24/7012433.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_7012433
loop_
_publ_author_name
'Atkins, Andrew J.'
'Black, Daniel'
'Finn, Rachel L.'
'Marin-Becerra, Armando'
'Blake, Alexander J.'
'Ruiz-Ramirez, Lena'
'Li, Wan-Sheung'
'Schröder, Martin'
_publ_section_title
;
 Synthesis and structure of mononuclear and binuclear zinc(ii)
 compartmental macrocyclic complexes
;
_journal_issue                   9
_journal_name_full               'Dalton Transactions'
_journal_page_first              1730
_journal_paper_doi               10.1039/b210936k
_journal_year                    2003
_chemical_formula_moiety         'C28 H35 N5 O2 Zn 2+, 2(P F6 -)'
_chemical_formula_sum            'C28 H35 F12 N5 O2 P2 Zn'
_chemical_formula_weight         828.92
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   'difference map or placed geometrically'
_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            8
_cell_length_a                   15.34(2)
_cell_length_b                   19.998(7)
_cell_length_c                   21.537(12)
_cell_measurement_reflns_used    44
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      17.0
_cell_measurement_theta_min      12.5
_cell_volume                     6607(10)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe, 1995)'
_computing_data_reduction        'X-RED (Stoe, 1995)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97; PLATON (Spek, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.030
_diffrn_reflns_av_sigmaI/netI    0.035
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6612
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        9.0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.945
_exptl_absorpt_correction_T_max  0.546
_exptl_absorpt_correction_T_min  0.455
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'X-RED (Stoe, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             3376
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.16
_refine_diff_density_min         -0.54
_refine_diff_density_rms         0.10
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment
'methyl H atoms in rigid group, N-H with distance restraint; others riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         5799
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0709
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.049P)²+39.50P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.155
_refine_ls_wR_factor_ref         0.177
_reflns_number_gt                4633
_reflns_number_total             5804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210936k.txt
_cod_data_source_block           4
_cod_database_code               7012433
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.86546(4) 0.09848(3) 0.52210(3) 0.0187(2) Uani 0.899(2) 1 d P A 1
Zn2 Zn 0.8366(4) 0.1141(3) 0.4203(3) 0.026(2) Uani 0.101(2) 1 d P A 2
O1 O 0.9087(3) 0.17338(17) 0.47085(17) 0.0255(8) Uani 1 1 d . . .
O2 O 0.8943(3) 0.04089(17) 0.45088(17) 0.0249(8) Uani 1 1 d . . .
N1S N 0.7335(3) 0.1102(2) 0.5180(2) 0.0360(12) Uani 1 1 d . . .
C1S C 0.6605(4) 0.1149(3) 0.5229(3) 0.0358(15) Uani 1 1 d . A .
C2S C 0.5683(4) 0.1191(3) 0.5305(4) 0.0444(17) Uani 1 1 d . . .
H2S1 H 0.5495 0.0870 0.5622 0.067 Uiso 1 1 calc R A .
H2S2 H 0.5397 0.1086 0.4910 0.067 Uiso 1 1 calc R . .
H2S3 H 0.5524 0.1644 0.5435 0.067 Uiso 1 1 calc R . .
N1 N 0.9044(3) 0.1526(2) 0.5977(2) 0.0248(10) Uani 1 1 d . . .
N2 N 0.8834(3) 0.0172(2) 0.5779(2) 0.0245(10) Uani 1 1 d . . .
N3 N 0.8467(3) 0.0559(2) 0.3392(2) 0.0269(11) Uani 1 1 d D . .
H3N H 0.860(4) 0.065(3) 0.3751(11) 0.032 Uiso 1 1 d D . .
N4 N 0.8814(4) 0.1998(2) 0.3588(2) 0.0304(11) Uani 1 1 d D . .
H4N H 0.886(4) 0.175(3) 0.3892(18) 0.036 Uiso 1 1 d D . .
C1 C 0.8947(3) 0.2368(2) 0.4849(2) 0.0208(11) Uani 1 1 d . A .
C2 C 0.8976(3) 0.2596(3) 0.5474(2) 0.0229(11) Uani 1 1 d . . .
C3 C 0.8788(3) 0.3272(3) 0.5586(3) 0.0267(12) Uani 1 1 d . A .
H3B H 0.8796 0.3426 0.6004 0.032 Uiso 1 1 calc R . .
C4 C 0.8591(3) 0.3726(3) 0.5122(3) 0.0264(12) Uani 1 1 d . . .
C5 C 0.8611(3) 0.3502(3) 0.4518(3) 0.0269(12) Uani 1 1 d . A .
H5A H 0.8499 0.3811 0.4193 0.032 Uiso 1 1 calc R . .
C6 C 0.8788(3) 0.2837(3) 0.4364(2) 0.0210(11) Uani 1 1 d . . .
C7 C 0.8405(4) 0.4451(3) 0.5274(3) 0.0404(16) Uani 1 1 d . A .
H7A H 0.7907 0.4478 0.5558 0.061 Uiso 1 1 calc R . .
H7B H 0.8268 0.4694 0.4890 0.061 Uiso 1 1 calc R . .
H7C H 0.8918 0.4652 0.5470 0.061 Uiso 1 1 calc R . .
C8 C 0.9183(4) 0.2163(3) 0.6003(2) 0.0255(12) Uani 1 1 d . A .
C9 C 0.9544(5) 0.2476(3) 0.6578(3) 0.0424(16) Uani 1 1 d . . .
H9A H 0.9808 0.2908 0.6474 0.064 Uiso 1 1 calc R A .
H9B H 0.9987 0.2182 0.6759 0.064 Uiso 1 1 calc R . .
H9C H 0.9073 0.2544 0.6880 0.064 Uiso 1 1 calc R . .
C10 C 0.9220(4) 0.1084(3) 0.6504(2) 0.0277(12) Uani 1 1 d . A .
H10A H 0.9022 0.1300 0.6893 0.033 Uiso 1 1 calc R . .
H10B H 0.9856 0.1004 0.6538 0.033 Uiso 1 1 calc R . .
C11 C 0.8750(4) 0.0421(3) 0.6420(2) 0.0306(13) Uani 1 1 d . A .
H11A H 0.8996 0.0088 0.6711 0.037 Uiso 1 1 calc R . .
H11B H 0.8125 0.0479 0.6522 0.037 Uiso 1 1 calc R . .
C12 C 0.8970(3) -0.0444(3) 0.5642(3) 0.0247(12) Uani 1 1 d . A .
C13 C 0.9165(5) -0.0958(3) 0.6132(3) 0.0396(15) Uani 1 1 d . . .
H13A H 0.9428 -0.0739 0.6493 0.059 Uiso 1 1 calc R A .
H13B H 0.9570 -0.1291 0.5964 0.059 Uiso 1 1 calc R . .
H13C H 0.8622 -0.1180 0.6257 0.059 Uiso 1 1 calc R . .
C14 C 0.8880(3) -0.0676(3) 0.4984(3) 0.0219(11) Uani 1 1 d . . .
C15 C 0.8779(3) -0.1364(3) 0.4887(3) 0.0255(12) Uani 1 1 d . A .
H15A H 0.8838 -0.1655 0.5233 0.031 Uiso 1 1 calc R . .
C16 C 0.8596(4) -0.1640(3) 0.4310(3) 0.0268(12) Uani 1 1 d . . .
C17 C 0.8496(3) -0.1212(3) 0.3811(3) 0.0263(12) Uani 1 1 d . A .
H17A H 0.8359 -0.1395 0.3416 0.032 Uiso 1 1 calc R . .
C18 C 0.8589(3) -0.0513(3) 0.3869(2) 0.0219(11) Uani 1 1 d . . .
C19 C 0.8801(3) -0.0238(2) 0.4463(2) 0.0204(11) Uani 1 1 d . A .
C20 C 0.8483(4) -0.2388(3) 0.4245(3) 0.0362(15) Uani 1 1 d . A .
H20A H 0.9027 -0.2613 0.4361 0.054 Uiso 1 1 calc R . .
H20B H 0.8339 -0.2496 0.3813 0.054 Uiso 1 1 calc R . .
H20C H 0.8011 -0.2539 0.4517 0.054 Uiso 1 1 calc R . .
C21 C 0.8416(3) -0.0089(3) 0.3330(2) 0.0220(11) Uani 1 1 d . A .
C22 C 0.8164(5) -0.0382(3) 0.2716(3) 0.0381(15) Uani 1 1 d . . .
H22A H 0.8118 -0.0024 0.2407 0.057 Uiso 1 1 calc R A .
H22B H 0.7601 -0.0609 0.2755 0.057 Uiso 1 1 calc R . .
H22C H 0.8608 -0.0704 0.2584 0.057 Uiso 1 1 calc R . .
C23 C 0.8219(4) 0.1072(3) 0.2942(3) 0.0301(13) Uani 1 1 d . A .
H23A H 0.7612 0.1215 0.3024 0.036 Uiso 1 1 calc R . .
H23B H 0.8241 0.0880 0.2519 0.036 Uiso 1 1 calc R . .
C24 C 0.8817(4) 0.1680(3) 0.2973(2) 0.0336(14) Uani 1 1 d . A .
H24A H 0.9419 0.1540 0.2870 0.040 Uiso 1 1 calc R . .
H24B H 0.8629 0.2010 0.2658 0.040 Uiso 1 1 calc R . .
C25 C 0.8786(4) 0.2628(3) 0.3711(3) 0.0269(12) Uani 1 1 d . A .
C26 C 0.8788(5) 0.3128(3) 0.3197(3) 0.0395(15) Uani 1 1 d . . .
H26A H 0.8844 0.3579 0.3371 0.059 Uiso 1 1 calc R A .
H26B H 0.8241 0.3095 0.2964 0.059 Uiso 1 1 calc R . .
H26C H 0.9279 0.3039 0.2918 0.059 Uiso 1 1 calc R . .
P1 P 0.66205(11) 0.23007(8) 0.68835(8) 0.0382(4) Uani 1 1 d DU . .
F1 F 0.7252(3) 0.2926(2) 0.6871(3) 0.0787(15) Uani 1 1 d DU . .
F2 F 0.6518(6) 0.2385(3) 0.6168(2) 0.124(3) Uani 1 1 d DU . .
F3 F 0.7430(4) 0.1824(3) 0.6814(3) 0.0932(19) Uani 1 1 d DU . .
F4 F 0.5846(3) 0.2799(3) 0.6995(3) 0.096(2) Uani 1 1 d DU . .
F5 F 0.6755(5) 0.2239(3) 0.7606(2) 0.112(2) Uani 1 1 d DU . .
F6 F 0.6008(4) 0.1687(3) 0.6917(5) 0.157(4) Uani 1 1 d DU . .
P2 P 0.55640(14) 0.03437(9) 0.33156(8) 0.0450(5) Uani 1 1 d U . .
F21 F 0.6459(4) 0.0000(3) 0.3496(4) 0.123(2) Uani 1 1 d DU . .
F22 F 0.5834(5) 0.0980(3) 0.3696(3) 0.134(3) Uani 1 1 d DU . .
F23 F 0.5191(5) 0.0035(5) 0.3903(4) 0.164(4) Uani 1 1 d DU . .
F24 F 0.6043(5) 0.0656(4) 0.2745(3) 0.142(3) Uani 1 1 d DU . .
F25 F 0.5326(5) -0.0282(3) 0.2927(4) 0.150(3) Uani 1 1 d DU . .
F26 F 0.4690(4) 0.0689(3) 0.3166(4) 0.138(3) Uani 1 1 d DU . .
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'
Zn Zn 0.2839 1.4301 '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
O2 Zn1 O1 86.13(15) . . ?
O2 Zn1 N2 87.84(17) . . ?
O1 Zn1 N2 152.63(18) . . ?
O2 Zn1 N1S 104.88(19) . . ?
O1 Zn1 N1S 102.82(19) . . ?
N2 Zn1 N1S 104.53(19) . . ?
O2 Zn1 N1 149.86(18) . . ?
O1 Zn1 N1 86.86(17) . . ?
N2 Zn1 N1 85.07(18) . . ?
N1S Zn1 N1 105.3(2) . . ?
O2 Zn2 O1 90.6(3) . . ?
O2 Zn2 N3 79.7(3) . . ?
O1 Zn2 N3 139.1(4) . . ?
O2 Zn2 N4 131.7(4) . . ?
O1 Zn2 N4 72.3(3) . . ?
N3 Zn2 N4 84.8(3) . . ?
C1 O1 Zn2 128.2(4) . . ?
C1 O1 Zn1 123.0(3) . . ?
Zn2 O1 Zn1 70.1(2) . . ?
C19 O2 Zn2 132.7(4) . . ?
C19 O2 Zn1 126.6(3) . . ?
Zn2 O2 Zn1 72.8(2) . . ?
C1S N1S Zn1 171.9(6) . . ?
N1S C1S C2S 178.1(7) . . ?
C8 N1 C10 122.0(5) . . ?
C8 N1 Zn1 127.2(4) . . ?
C10 N1 Zn1 110.6(3) . . ?
C12 N2 C11 123.7(5) . . ?
C12 N2 Zn1 130.6(4) . . ?
C11 N2 Zn1 105.7(3) . . ?
C21 N3 C23 127.9(5) . . ?
C21 N3 Zn2 129.0(4) . . ?
C23 N3 Zn2 98.3(4) . . ?
C25 N4 C24 127.4(5) . . ?
C25 N4 Zn2 127.5(4) . . ?
C24 N4 Zn2 101.6(4) . . ?
O1 C1 C2 121.3(5) . . ?
O1 C1 C6 119.4(5) . . ?
C2 C1 C6 119.3(4) . . ?
C3 C2 C1 117.8(5) . . ?
C3 C2 C8 118.6(5) . . ?
C1 C2 C8 123.6(5) . . ?
C4 C3 C2 123.5(5) . . ?
C5 C4 C3 117.7(5) . . ?
C5 C4 C7 121.3(5) . . ?
C3 C4 C7 121.0(5) . . ?
C4 C5 C6 122.5(5) . . ?
C5 C6 C1 119.1(5) . . ?
C5 C6 C25 119.8(5) . . ?
C1 C6 C25 121.1(5) . . ?
N1 C8 C2 120.8(5) . . ?
N1 C8 C9 120.7(5) . . ?
C2 C8 C9 118.5(5) . . ?
N1 C10 C11 110.3(4) . . ?
N2 C11 C10 111.4(4) . . ?
N2 C12 C14 120.0(5) . . ?
N2 C12 C13 121.8(5) . . ?
C14 C12 C13 118.1(5) . . ?
C15 C14 C19 118.4(5) . . ?
C15 C14 C12 117.1(5) . . ?
C19 C14 C12 124.2(5) . . ?
C16 C15 C14 123.2(5) . . ?
C17 C16 C15 118.1(5) . . ?
C17 C16 C20 121.8(5) . . ?
C15 C16 C20 120.1(5) . . ?
C16 C17 C18 122.3(5) . . ?
C17 C18 C19 118.9(5) . . ?
C17 C18 C21 119.1(5) . . ?
C19 C18 C21 121.9(4) . . ?
O2 C19 C14 121.9(5) . . ?
O2 C19 C18 118.9(5) . . ?
C14 C19 C18 119.1(5) . . ?
N3 C21 C18 119.0(5) . . ?
N3 C21 C22 119.6(5) . . ?
C18 C21 C22 121.5(5) . . ?
N3 C23 C24 112.0(5) . . ?
N4 C24 C23 112.5(5) . . ?
N4 C25 C6 118.3(5) . . ?
N4 C25 C26 120.2(5) . . ?
C6 C25 C26 121.4(5) . . ?
F6 P1 F2 94.1(5) . . ?
F6 P1 F4 92.1(4) . . ?
F2 P1 F4 90.4(4) . . ?
F6 P1 F3 90.2(4) . . ?
F2 P1 F3 93.0(4) . . ?
F4 P1 F3 175.8(4) . . ?
F6 P1 F5 88.3(5) . . ?
F2 P1 F5 177.6(4) . . ?
F4 P1 F5 89.8(3) . . ?
F3 P1 F5 86.7(3) . . ?
F6 P1 F1 178.2(4) . . ?
F2 P1 F1 87.7(3) . . ?
F4 P1 F1 88.0(3) . . ?
F3 P1 F1 89.6(3) . . ?
F5 P1 F1 89.9(4) . . ?
F23 P2 F26 91.7(4) . . ?
F23 P2 F25 91.8(5) . . ?
F26 P2 F25 92.5(4) . . ?
F23 P2 F24 174.0(5) . . ?
F26 P2 F24 93.7(4) . . ?
F25 P2 F24 90.5(4) . . ?
F23 P2 F22 89.6(5) . . ?
F26 P2 F22 88.6(4) . . ?
F25 P2 F22 178.1(5) . . ?
F24 P2 F22 87.9(4) . . ?
F23 P2 F21 86.9(4) . . ?
F26 P2 F21 177.8(4) . . ?
F25 P2 F21 89.2(4) . . ?
F24 P2 F21 87.6(4) . . ?
F22 P2 F21 89.7(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
Zn1 N1 2.045(5) . ?
Zn1 N2 2.040(4) . ?
Zn1 N1S 2.040(6) . ?
Zn1 O1 1.976(4) . ?
Zn1 O2 1.969(4) . ?
Zn2 N3 2.106(8) . ?
Zn2 N4 2.272(7) . ?
Zn2 O1 1.953(7) . ?
Zn2 O2 1.833(7) . ?
O1 C1 1.322(6) . ?
O2 C19 1.315(6) . ?
N1S C1S 1.128(8) . ?
C1S C2S 1.426(9) . ?
N1 C8 1.291(7) . ?
N1 C10 1.465(7) . ?
N2 C12 1.283(7) . ?
N2 C11 1.475(7) . ?
N3 C21 1.306(7) . ?
N3 C23 1.460(7) . ?
N4 C25 1.290(7) . ?
N4 C24 1.470(7) . ?
C1 C2 1.421(7) . ?
C1 C6 1.424(7) . ?
C2 C3 1.403(7) . ?
C2 C8 1.468(8) . ?
C3 C4 1.384(8) . ?
C4 C5 1.377(8) . ?
C4 C7 1.514(7) . ?
C5 C6 1.398(7) . ?
C6 C25 1.468(8) . ?
C8 C9 1.495(8) . ?
C10 C11 1.520(8) . ?
C12 C14 1.496(8) . ?
C12 C13 1.504(7) . ?
C14 C15 1.400(7) . ?
C14 C19 1.429(7) . ?
C15 C16 1.388(8) . ?
C16 C17 1.383(8) . ?
C16 C20 1.512(7) . ?
C17 C18 1.410(7) . ?
C18 C19 1.430(7) . ?
C18 C21 1.462(7) . ?
C21 C22 1.497(8) . ?
C23 C24 1.524(8) . ?
C25 C26 1.491(8) . ?
P1 F1 1.582(5) . ?
P1 F2 1.557(5) . ?
P1 F3 1.572(5) . ?
P1 F4 1.568(5) . ?
P1 F5 1.575(5) . ?
P1 F6 1.547(5) . ?
P2 F21 1.584(6) . ?
P2 F22 1.569(6) . ?
P2 F23 1.520(6) . ?
P2 F24 1.563(6) . ?
P2 F25 1.549(6) . ?
P2 F26 1.543(6) . ?
