#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/06/7220697.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_7220697
loop_
_publ_author_name
'Tripathi, Sarita'
'Srirambalaji, Renganathan'
'Patra, Samir'
'Anantharaman, Ganapathi'
_publ_section_title
;
 Anion triggered and solvent assisted structural diversity and reversible
 single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D
 coordination polymers
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              8876
_journal_paper_doi               10.1039/C5CE00690B
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C28 H32 Cd N12 O2, 2(F6 P), 2(C3 H7 N O)'
_chemical_formula_sum            'C34 H46 Cd F12 N14 O4 P2'
_chemical_formula_weight         1117.19
_chemical_name_common            'Cd pyim2 PF6'
_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
_audit_update_record
;
2015-06-04 deposited with the CCDC.
2015-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 109.134(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.5527(12)
_cell_length_b                   26.816(3)
_cell_length_c                   15.4979(16)
_cell_measurement_reflns_used    5440
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.52
_cell_measurement_theta_min      2.45
_cell_volume                     4536.0(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25318
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2264
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.089
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         8885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0513
_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)+(0.0682P)²+6.9878P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1210
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                6772
_reflns_number_total             8885
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce00690b2.cif
_cod_data_source_block           2junbm
_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.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7220696--7220699.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7220697
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
C1 C 0.6063(4) 0.21518(17) 0.0706(3) 0.0220(10) Uani 1 1 d .
H1 H 0.5886 0.2342 0.0177 0.026 Uiso 1 1 calc R
C2 C 0.5949(4) 0.18087(16) 0.1924(3) 0.0228(10) Uani 1 1 d .
H2 H 0.5662 0.1722 0.2399 0.027 Uiso 1 1 calc R
C3 C 0.7000(4) 0.16377(17) 0.1824(3) 0.0207(9) Uani 1 1 d .
H3 H 0.7557 0.1416 0.2202 0.025 Uiso 1 1 calc R
C4 C 0.8005(4) 0.18087(16) 0.0628(3) 0.0178(9) Uani 1 1 d .
C5 C 0.8967(4) 0.14804(18) 0.0979(3) 0.0227(10) Uani 1 1 d .
H5 H 0.9037 0.1287 0.1492 0.027 Uiso 1 1 calc R
C6 C 0.9829(4) 0.14543(19) 0.0523(3) 0.0274(11) Uani 1 1 d .
H6 H 1.0503 0.1244 0.0738 0.033 Uiso 1 1 calc R
C7 C 0.9680(4) 0.17381(17) -0.0241(3) 0.0208(10) Uani 1 1 d .
H7 H 1.0240 0.1722 -0.0556 0.025 Uiso 1 1 calc R
C8 C 0.8679(4) 0.20484(16) -0.0527(3) 0.0187(9) Uani 1 1 d .
C9 C 0.8911(4) 0.23053(17) -0.2004(3) 0.0222(10) Uani 1 1 d .
H9 H 0.9476 0.2062 -0.2023 0.027 Uiso 1 1 calc R
C10 C 0.7668(4) 0.29324(17) -0.2349(3) 0.0224(10) Uani 1 1 d .
H10 H 0.7229 0.3205 -0.2661 0.027 Uiso 1 1 calc R
C11 C 0.7626(4) 0.27545(17) -0.1543(3) 0.0209(9) Uani 1 1 d .
H11 H 0.7149 0.2877 -0.1209 0.025 Uiso 1 1 calc R
C12 C 0.0753(4) 0.27659(17) 0.0955(3) 0.0230(10) Uani 1 1 d .
H12 H 0.0859 0.2558 0.1456 0.028 Uiso 1 1 calc R
C13 C 0.1013(4) 0.31369(18) -0.0193(3) 0.0255(10) Uani 1 1 d .
H13 H 0.1350 0.3228 -0.0639 0.031 Uiso 1 1 calc R
C14 C -0.0021(4) 0.33370(17) -0.0096(3) 0.0205(9) Uani 1 1 d .
H14 H -0.0514 0.3586 -0.0451 0.025 Uiso 1 1 calc R
C15 C -0.1146(4) 0.31556(17) 0.1029(3) 0.0207(10) Uani 1 1 d .
C16 C -0.2120(4) 0.34669(17) 0.0633(3) 0.0201(9) Uani 1 1 d .
H16 H -0.2184 0.3647 0.0106 0.024 Uiso 1 1 calc R
C17 C -0.3002(4) 0.34990(17) 0.1058(3) 0.0233(10) Uani 1 1 d .
H17 H -0.3687 0.3699 0.0806 0.028 Uiso 1 1 calc R
C18 C -0.2876(4) 0.32382(17) 0.1847(3) 0.0203(10) Uani 1 1 d .
H18 H -0.3456 0.3258 0.2143 0.024 Uiso 1 1 calc R
C19 C -0.1832(4) 0.29425(16) 0.2180(3) 0.0205(9) Uani 1 1 d .
C20 C -0.2048(4) 0.27501(17) 0.3695(3) 0.0196(9) Uani 1 1 d .
H20 H -0.2592 0.3007 0.3692 0.023 Uiso 1 1 calc R
C21 C -0.0848(4) 0.21164(16) 0.4089(3) 0.0202(9) Uani 1 1 d .
H21 H -0.0419 0.1849 0.4429 0.024 Uiso 1 1 calc R
C22 C -0.0814(4) 0.22559(17) 0.3260(3) 0.0212(9) Uani 1 1 d .
H22 H -0.0357 0.2111 0.2931 0.025 Uiso 1 1 calc R
C23 C 0.3537(4) 0.12826(17) 0.0505(3) 0.0241(10) Uani 1 1 d .
H23 H 0.3965 0.1354 0.0105 0.029 Uiso 1 1 calc R
C24 C 0.3175(5) 0.0725(2) 0.1620(4) 0.0373(13) Uani 1 1 d .
H24A H 0.3753 0.0762 0.2224 0.056 Uiso 1 1 calc R
H24B H 0.2893 0.0386 0.1532 0.056 Uiso 1 1 calc R
H24C H 0.2491 0.0943 0.1548 0.056 Uiso 1 1 calc R
C25 C 0.4695(5) 0.0510(2) 0.0849(4) 0.0343(12) Uani 1 1 d .
H25A H 0.4993 0.0627 0.0375 0.051 Uiso 1 1 calc R
H25B H 0.4343 0.0184 0.0693 0.051 Uiso 1 1 calc R
H25C H 0.5360 0.0493 0.1415 0.051 Uiso 1 1 calc R
C26 C 0.3369(4) 0.35786(18) 0.1387(3) 0.0279(11) Uani 1 1 d .
H26 H 0.2941 0.3455 0.1755 0.033 Uiso 1 1 calc R
C27 C 0.2277(5) 0.43498(19) 0.1352(4) 0.0358(12) Uani 1 1 d .
H27A H 0.1601 0.4412 0.0806 0.054 Uiso 1 1 calc R
H27B H 0.2641 0.4661 0.1609 0.054 Uiso 1 1 calc R
H27C H 0.1990 0.4177 0.1785 0.054 Uiso 1 1 calc R
C28 C 0.3819(5) 0.42460(19) 0.0538(4) 0.0320(12) Uani 1 1 d .
H28A H 0.4669 0.4294 0.0883 0.048 Uiso 1 1 calc R
H28B H 0.3459 0.4559 0.0291 0.048 Uiso 1 1 calc R
H28C H 0.3748 0.4016 0.0049 0.048 Uiso 1 1 calc R
C29 C 0.1555(5) 0.4346(2) 0.8409(3) 0.0356(12) Uani 1 1 d .
H29 H 0.2188 0.4234 0.8211 0.043 Uiso 1 1 calc R
C30 C 0.2467(5) 0.5175(2) 0.8488(4) 0.0428(14) Uani 1 1 d .
H30A H 0.2997 0.4999 0.8227 0.064 Uiso 1 1 calc R
H30B H 0.2939 0.5304 0.9076 0.064 Uiso 1 1 calc R
H30C H 0.2078 0.5446 0.8094 0.064 Uiso 1 1 calc R
C31 C 0.0596(5) 0.5039(2) 0.8920(4) 0.0440(14) Uani 1 1 d .
H31A H 0.0060 0.4777 0.8978 0.066 Uiso 1 1 calc R
H31B H 0.0132 0.5284 0.8496 0.066 Uiso 1 1 calc R
H31C H 0.0976 0.5191 0.9505 0.066 Uiso 1 1 calc R
C32 C 0.3591(5) 0.5928(2) 0.6556(3) 0.0333(12) Uani 1 1 d .
H32 H 0.2811 0.5925 0.6607 0.040 Uiso 1 1 calc R
C33 C 0.3203(6) 0.5067(2) 0.6055(5) 0.0579(18) Uani 1 1 d .
H33A H 0.2427 0.5140 0.6127 0.087 Uiso 1 1 calc R
H33B H 0.3588 0.4796 0.6451 0.087 Uiso 1 1 calc R
H33C H 0.3080 0.4974 0.5432 0.087 Uiso 1 1 calc R
C34 C 0.5208(6) 0.5465(2) 0.6226(4) 0.0475(15) Uani 1 1 d .
H34A H 0.5658 0.5765 0.6452 0.071 Uiso 1 1 calc R
H34B H 0.5153 0.5415 0.5601 0.071 Uiso 1 1 calc R
H34C H 0.5621 0.5186 0.6586 0.071 Uiso 1 1 calc R
Cd1 Cd 0.34253(3) 0.244430(12) 0.08564(2) 0.01990(12) Uani 1 1 d .
F1 F 0.5456(3) 0.48261(11) 0.8215(2) 0.0456(8) Uani 1 1 d .
F2 F 0.7171(3) 0.43613(12) 0.8844(2) 0.0404(7) Uani 1 1 d .
F3 F 0.5562(3) 0.42871(13) 0.9353(2) 0.0475(9) Uani 1 1 d .
F4 F 0.5992(3) 0.36657(11) 0.8534(2) 0.0478(9) Uani 1 1 d .
F5 F 0.4294(2) 0.41294(10) 0.79192(19) 0.0306(6) Uani 1 1 d .
F6 F 0.5909(3) 0.42057(12) 0.74021(19) 0.0408(8) Uani 1 1 d .
F7 F 0.6871(3) 0.12888(12) 0.8368(2) 0.0442(8) Uani 1 1 d .
F8 F 0.5239(3) 0.14956(12) 0.8798(2) 0.0441(8) Uani 1 1 d .
F9 F 0.6531(3) 0.08910(13) 0.9557(2) 0.0430(8) Uani 1 1 d .
F10 F 0.4624(3) 0.06877(12) 0.8648(2) 0.0417(8) Uani 1 1 d .
F11 F 0.6259(3) 0.04838(11) 0.8230(2) 0.0388(7) Uani 1 1 d .
F12 F 0.4966(3) 0.10838(11) 0.74607(19) 0.0417(8) Uani 1 1 d .
N1 N 0.5364(3) 0.21311(14) 0.1222(2) 0.0185(8) Uani 1 1 d .
N2 N 0.7074(3) 0.18627(14) 0.1038(2) 0.0205(8) Uani 1 1 d .
N3 N 0.7847(3) 0.20969(13) -0.0093(2) 0.0191(8) Uani 1 1 d .
N4 N 0.8427(3) 0.23572(14) -0.1311(2) 0.0203(8) Uani 1 1 d .
N5 N 0.8471(4) 0.26436(14) -0.2636(3) 0.0224(8) Uani 1 1 d .
N6 N 0.1491(3) 0.27759(14) 0.0474(2) 0.0200(8) Uani 1 1 d .
N7 N -0.0182(3) 0.30908(14) 0.0643(3) 0.0213(8) Uani 1 1 d .
N8 N -0.0985(3) 0.28879(14) 0.1771(2) 0.0179(8) Uani 1 1 d .
N9 N -0.1594(3) 0.26568(13) 0.3001(2) 0.0176(8) Uani 1 1 d .
N10 N -0.1623(3) 0.24347(14) 0.4359(3) 0.0211(8) Uani 1 1 d .
N11 N 0.3765(4) 0.08519(15) 0.0944(3) 0.0264(9) Uani 1 1 d .
N12 N 0.3184(3) 0.40458(14) 0.1133(3) 0.0245(9) Uani 1 1 d .
N13 N 0.1532(4) 0.48332(16) 0.8589(3) 0.0325(10) Uani 1 1 d .
N14 N 0.3987(4) 0.55071(17) 0.6287(3) 0.0358(10) Uani 1 1 d .
O1 O 0.2791(3) 0.16001(12) 0.0587(2) 0.0269(7) Uani 1 1 d .
O2 O 0.4069(3) 0.32857(12) 0.1177(2) 0.0262(7) Uani 1 1 d .
O3 O 0.0825(4) 0.40381(15) 0.8481(3) 0.0454(10) Uani 1 1 d .
O4 O 0.4174(3) 0.63184(13) 0.6742(2) 0.0329(8) Uani 1 1 d .
P1 P 0.57429(11) 0.42462(5) 0.83840(8) 0.0231(3) Uani 1 1 d .
P2 P 0.57530(12) 0.09915(5) 0.85077(9) 0.0275(3) 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'
Cd Cd -0.8075 1.2024 '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
N1 C1 N2 111.8(4) . .
C3 C2 N1 110.3(4) . .
C2 C3 N2 105.6(4) . .
N3 C4 C5 125.2(4) . .
N3 C4 N2 113.7(4) . .
C5 C4 N2 121.0(4) . .
C4 C5 C6 116.5(4) . .
C7 C6 C5 120.0(4) . .
C6 C7 C8 117.9(4) . .
N3 C8 C7 124.0(4) . .
N3 C8 N4 113.0(4) . .
C7 C8 N4 122.9(4) . .
N5 C9 N4 111.0(4) . .
C11 C10 N5 109.2(4) . .
C10 C11 N4 106.8(4) . .
N6 C12 N7 112.2(4) . .
C14 C13 N6 110.0(4) . .
C13 C14 N7 105.2(4) . .
N8 C15 C16 125.6(4) . .
N8 C15 N7 113.0(4) . .
C16 C15 N7 121.3(4) . .
C15 C16 C17 116.6(4) . .
C18 C17 C16 120.8(4) . .
C17 C18 C19 116.5(4) . .
N8 C19 C18 124.5(4) . .
N8 C19 N9 113.9(4) . .
C18 C19 N9 121.6(4) . .
N10 C20 N9 111.2(4) . .
C22 C21 N10 109.7(4) . .
C21 C22 N9 105.8(4) . .
O1 C23 N11 124.8(4) . .
O2 C26 N12 125.5(4) . .
O3 C29 N13 125.7(5) . .
O4 C32 N14 125.2(5) . .
N1 Cd1 N6 178.59(13) . .
N1 Cd1 N10 89.98(13) . 4_665
N6 Cd1 N10 89.14(13) . 4_665
N1 Cd1 N5 90.93(13) . 4_566
N6 Cd1 N5 89.92(13) . 4_566
N10 Cd1 N5 177.78(13) 4_665 4_566
N1 Cd1 O1 85.08(12) . .
N6 Cd1 O1 96.06(12) . .
N10 Cd1 O1 93.00(12) 4_665 .
N5 Cd1 O1 89.10(12) 4_566 .
N1 Cd1 O2 94.77(12) . .
N6 Cd1 O2 84.12(12) . .
N10 Cd1 O2 88.83(12) 4_665 .
N5 Cd1 O2 89.08(12) 4_566 .
O1 Cd1 O2 178.16(11) . .
C1 N1 C2 105.5(4) . .
C1 N1 Cd1 125.7(3) . .
C2 N1 Cd1 127.8(3) . .
C1 N2 C3 106.8(4) . .
C1 N2 C4 124.9(4) . .
C3 N2 C4 128.3(4) . .
C4 N3 C8 116.2(4) . .
C9 N4 C11 106.6(4) . .
C9 N4 C8 126.1(4) . .
C11 N4 C8 127.3(4) . .
C9 N5 C10 106.4(4) . .
C9 N5 Cd1 123.7(3) . 4_665
C10 N5 Cd1 125.4(3) . 4_665
C12 N6 C13 105.3(4) . .
C12 N6 Cd1 127.4(3) . .
C13 N6 Cd1 125.3(3) . .
C12 N7 C14 107.2(4) . .
C12 N7 C15 124.6(4) . .
C14 N7 C15 128.2(4) . .
C15 N8 C19 116.0(4) . .
C20 N9 C22 107.3(4) . .
C20 N9 C19 126.2(4) . .
C22 N9 C19 126.4(4) . .
C20 N10 C21 105.9(4) . .
C20 N10 Cd1 125.4(3) . 4_566
C21 N10 Cd1 125.2(3) . 4_566
C23 N11 C25 121.8(4) . .
C23 N11 C24 120.7(4) . .
C25 N11 C24 117.2(4) . .
C26 N12 C27 121.7(4) . .
C26 N12 C28 118.5(4) . .
C27 N12 C28 119.5(4) . .
C29 N13 C31 120.9(5) . .
C29 N13 C30 121.5(5) . .
C31 N13 C30 117.5(4) . .
C32 N14 C34 121.8(5) . .
C32 N14 C33 120.9(5) . .
C34 N14 C33 117.3(5) . .
C23 O1 Cd1 119.0(3) . .
C26 O2 Cd1 117.9(3) . .
F3 P1 F4 90.16(19) . .
F3 P1 F1 90.19(19) . .
F4 P1 F1 178.42(19) . .
F3 P1 F2 90.10(17) . .
F4 P1 F2 90.76(17) . .
F1 P1 F2 90.77(17) . .
F3 P1 F6 179.4(2) . .
F4 P1 F6 90.03(19) . .
F1 P1 F6 89.60(18) . .
F2 P1 F6 90.49(17) . .
F3 P1 F5 89.81(16) . .
F4 P1 F5 89.22(16) . .
F1 P1 F5 89.24(16) . .
F2 P1 F5 179.9(2) . .
F6 P1 F5 89.59(16) . .
F7 P2 F11 90.30(17) . .
F7 P2 F12 90.06(18) . .
F11 P2 F12 89.69(17) . .
F7 P2 F8 90.44(18) . .
F11 P2 F8 179.08(19) . .
F12 P2 F8 90.86(17) . .
F7 P2 F9 90.69(18) . .
F11 P2 F9 89.85(17) . .
F12 P2 F9 179.1(2) . .
F8 P2 F9 89.59(17) . .
F7 P2 F10 179.69(19) . .
F11 P2 F10 89.39(17) . .
F12 P2 F10 89.96(17) . .
F8 P2 F10 89.87(18) . .
F9 P2 F10 89.28(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.310(5) .
C1 N2 1.355(6) .
C2 C3 1.354(6) .
C2 N1 1.381(6) .
C3 N2 1.386(5) .
C4 N3 1.320(5) .
C4 C5 1.382(6) .
C4 N2 1.425(5) .
C5 C6 1.399(6) .
C6 C7 1.370(6) .
C7 C8 1.375(6) .
C8 N3 1.348(5) .
C8 N4 1.419(5) .
C9 N5 1.309(6) .
C9 N4 1.371(5) .
C10 C11 1.353(6) .
C10 N5 1.389(6) .
C11 N4 1.380(6) .
C12 N6 1.304(5) .
C12 N7 1.348(6) .
C13 C14 1.362(6) .
C13 N6 1.391(6) .
C14 N7 1.386(5) .
C15 N8 1.317(6) .
C15 C16 1.373(6) .
C15 N7 1.438(5) .
C16 C17 1.386(6) .
C17 C18 1.375(6) .
C18 C19 1.393(6) .
C19 N8 1.336(5) .
C19 N9 1.432(5) .
C20 N10 1.298(6) .
C20 N9 1.366(5) .
C21 C22 1.352(6) .
C21 N10 1.397(6) .
C22 N9 1.376(6) .
C23 O1 1.248(5) .
C23 N11 1.323(6) .
C24 N11 1.465(6) .
C25 N11 1.456(6) .
C26 O2 1.245(6) .
C26 N12 1.309(6) .
C27 N12 1.453(6) .
C28 N12 1.456(6) .
C29 O3 1.211(7) .
C29 N13 1.339(7) .
C30 N13 1.463(7) .
C31 N13 1.448(6) .
C32 O4 1.227(6) .
C32 N14 1.336(7) .
C33 N14 1.460(7) .
C34 N14 1.448(7) .
Cd1 N1 2.283(3) .
Cd1 N6 2.295(3) .
Cd1 N10 2.325(4) 4_665
Cd1 N5 2.332(4) 4_566
Cd1 O1 2.374(3) .
Cd1 O2 2.376(3) .
F1 P1 1.594(3) .
F2 P1 1.598(3) .
F3 P1 1.586(3) .
F4 P1 1.586(3) .
F5 P1 1.621(3) .
F6 P1 1.599(3) .
F7 P2 1.592(3) .
F8 P2 1.599(3) .
F9 P2 1.602(3) .
F10 P2 1.612(3) .
F11 P2 1.596(3) .
F12 P2 1.598(3) .
N5 Cd1 2.332(4) 4_665
N10 Cd1 2.325(4) 4_566
