#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:30:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179634 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/98/4509888.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_4509888
loop_
_publ_author_name
'Mukherjee, Gargi'
'Biradha, Kumar'
_publ_section_title
;
 Topological Equivalences between Coordination Polymer and Co-crystal: A
 Tecton Approach in Crystal Engineering
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              419
_journal_paper_doi               10.1021/cg401858s
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C98 H62 Ag2 Cl6 F12 N6 O12 P2'
_chemical_formula_weight         2233.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.96(2)
_cell_angle_beta                 103.60(2)
_cell_angle_gamma                102.482(17)
_cell_formula_units_Z            1
_cell_length_a                   10.889(6)
_cell_length_b                   13.384(7)
_cell_length_c                   17.350(13)
_cell_measurement_reflns_used    9220
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.62
_cell_measurement_theta_min      1.28
_cell_volume                     2269(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0977
_diffrn_reflns_av_sigmaI/netI    0.1473
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28963
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    0.736
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1122
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.613
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.802
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8804
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.802
_refine_ls_R_factor_all          0.1673
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1574
_refine_ls_wR_factor_ref         0.1913
_reflns_number_gt                3363
_reflns_number_total             8804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg401858s_si_002.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/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 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509888
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.32862(6) 0.10223(5) 0.25337(3) 0.0790(3) Uani 1 1 d .
O1 O 0.0859(5) -0.1138(4) 0.5389(2) 0.0631(12) Uani 1 1 d .
O2 O -0.2473(5) -0.3879(4) 0.5493(3) 0.0757(14) Uani 1 1 d .
O3 O 0.0740(4) -0.1384(4) 0.8103(2) 0.0612(12) Uani 1 1 d .
C1 C 0.0341(6) -0.1647(6) 0.5905(4) 0.0553(17) Uani 1 1 d .
C2 C -0.0762(7) -0.2514(6) 0.5508(4) 0.0601(18) Uani 1 1 d .
H2 H -0.1111 -0.2763 0.4927 0.072 Uiso 1 1 calc R
C3 C -0.1343(7) -0.3009(5) 0.5986(4) 0.0629(18) Uani 1 1 d .
C4 C -0.0877(6) -0.2631(5) 0.6852(4) 0.0610(18) Uani 1 1 d .
H4 H -0.1289 -0.2966 0.7171 0.073 Uiso 1 1 calc R
C5 C 0.0228(7) -0.1736(5) 0.7225(4) 0.0542(17) Uani 1 1 d .
C6 C 0.0883(6) -0.1234(5) 0.6776(3) 0.0547(17) Uani 1 1 d .
H6 H 0.1647 -0.0651 0.7038 0.066 Uiso 1 1 calc R
N11 N 0.2806(6) -0.0044(4) 0.3336(3) 0.0626(15) Uani 1 1 d .
O11 O 0.2672(6) -0.1687(5) 0.5622(3) 0.0966(19) Uani 1 1 d .
C11 C 0.1686(8) -0.0064(6) 0.3520(4) 0.072(2) Uani 1 1 d .
H11 H 0.1080 0.0198 0.3218 0.086 Uiso 1 1 calc R
C12 C 0.1376(7) -0.0446(6) 0.4123(4) 0.072(2) Uani 1 1 d .
H12 H 0.0582 -0.0435 0.4233 0.086 Uiso 1 1 calc R
C13 C 0.2248(7) -0.0852(5) 0.4571(4) 0.0549(17) Uani 1 1 d .
C14 C 0.3378(7) -0.0873(5) 0.4367(4) 0.0617(18) Uani 1 1 d .
H14 H 0.3980 -0.1163 0.4642 0.074 Uiso 1 1 calc R
C15 C 0.3618(7) -0.0462(6) 0.3752(4) 0.0683(19) Uani 1 1 d .
H15 H 0.4395 -0.0480 0.3621 0.082 Uiso 1 1 calc R
C16 C 0.1978(8) -0.1294(6) 0.5248(4) 0.0615(18) Uani 1 1 d .
N21 N -0.5571(5) -0.7406(5) 0.3613(3) 0.0654(15) Uani 1 1 d .
O21 O -0.2442(7) -0.4815(5) 0.6372(4) 0.135(3) Uani 1 1 d .
C21 C -0.5003(7) -0.6486(6) 0.3519(4) 0.075(2) Uani 1 1 d .
H21 H -0.5198 -0.6447 0.2978 0.090 Uiso 1 1 calc R
C22 C -0.4148(7) -0.5584(6) 0.4154(4) 0.075(2) Uani 1 1 d .
H22 H -0.3798 -0.4953 0.4049 0.090 Uiso 1 1 calc R
C23 C -0.3826(7) -0.5652(6) 0.4959(4) 0.0667(19) Uani 1 1 d .
C24 C -0.4424(7) -0.6588(6) 0.5085(4) 0.067(2) Uani 1 1 d .
H24 H -0.4245 -0.6646 0.5620 0.081 Uiso 1 1 calc R
C25 C -0.5290(7) -0.7434(6) 0.4405(4) 0.069(2) Uani 1 1 d .
H25 H -0.5703 -0.8058 0.4496 0.083 Uiso 1 1 calc R
C26 C -0.2816(7) -0.4732(7) 0.5703(4) 0.076(2) Uani 1 1 d .
N31 N 0.2339(5) 0.0546(4) 1.1173(3) 0.0558(14) Uani 1 1 d .
O31 O 0.0475(6) 0.0243(5) 0.8182(3) 0.108(2) Uani 1 1 d .
C31 C 0.2231(7) 0.1274(6) 1.0775(4) 0.0675(19) Uani 1 1 d .
H31 H 0.2495 0.2003 1.1093 0.081 Uiso 1 1 calc R
C32 C 0.1745(7) 0.0988(6) 0.9913(4) 0.0620(18) Uani 1 1 d .
H32 H 0.1660 0.1514 0.9660 0.074 Uiso 1 1 calc R
C33 C 0.1391(6) -0.0070(5) 0.9440(3) 0.0467(15) Uani 1 1 d .
C34 C 0.1496(6) -0.0826(5) 0.9845(4) 0.0590(18) Uani 1 1 d .
H34 H 0.1250 -0.1558 0.9539 0.071 Uiso 1 1 calc R
C35 C 0.1968(6) -0.0483(6) 1.0706(4) 0.0611(18) Uani 1 1 d .
H35 H 0.2028 -0.0999 1.0972 0.073 Uiso 1 1 calc R
C36 C 0.0812(6) -0.0378(6) 0.8515(4) 0.0606(18) Uani 1 1 d .
C101 C -0.0640(18) -0.4303(8) -0.1324(8) 0.132(5) Uani 1 1 d .
H101 H -0.0707 -0.4536 -0.1890 0.158 Uiso 1 1 calc R
C102 C 0.0581(14) -0.3998(9) -0.0746(9) 0.117(4) Uani 1 1 d .
H102 H 0.1306 -0.4069 -0.0927 0.140 Uiso 1 1 calc R
C103 C 0.1946(14) -0.3247(9) 0.0781(13) 0.151(5) Uani 1 1 d .
H103 H 0.2712 -0.3305 0.0647 0.181 Uiso 1 1 calc R
C104 C 0.2005(18) -0.2830(9) 0.1635(11) 0.156(6) Uani 1 1 d .
H104 H 0.2807 -0.2634 0.2054 0.187 Uiso 1 1 calc R
C105 C 0.0913(18) -0.2713(10) 0.1846(9) 0.137(5) Uani 1 1 d .
H105 H 0.0978 -0.2388 0.2403 0.164 Uiso 1 1 calc R
C106 C -0.1469(17) -0.3034(8) 0.1441(7) 0.121(4) Uani 1 1 d .
H106 H -0.1409 -0.2725 0.1999 0.145 Uiso 1 1 calc R
C107 C -0.2662(14) -0.3433(8) 0.0846(8) 0.119(4) Uani 1 1 d .
H107 H -0.3415 -0.3438 0.1012 0.143 Uiso 1 1 calc R
C108 C -0.4031(12) -0.4276(9) -0.0662(10) 0.128(4) Uani 1 1 d .
H108 H -0.4810 -0.4282 -0.0527 0.154 Uiso 1 1 calc R
C109 C -0.4075(19) -0.4686(11) -0.1473(10) 0.167(6) Uani 1 1 d .
H109 H -0.4904 -0.4976 -0.1876 0.200 Uiso 1 1 calc R
C110 C -0.3031(19) -0.4704(10) -0.1736(7) 0.145(5) Uani 1 1 d .
H110 H -0.3118 -0.4980 -0.2303 0.174 Uiso 1 1 calc R
C111 C -0.1763(15) -0.4282(7) -0.1112(6) 0.108(3) Uani 1 1 d .
C112 C -0.1653(11) -0.3886(6) -0.0271(5) 0.079(2) Uani 1 1 d .
C113 C -0.0436(12) -0.3486(6) 0.0379(6) 0.083(2) Uani 1 1 d .
C114 C 0.0771(14) -0.3563(7) 0.0154(8) 0.104(3) Uani 1 1 d .
C115 C -0.0317(14) -0.3085(7) 0.1222(7) 0.100(3) Uani 1 1 d .
C116 C -0.2813(12) -0.3846(7) -0.0029(7) 0.097(3) Uani 1 1 d .
C201 C 0.5452(13) 0.2013(14) 0.0366(15) 0.162(8) Uani 1 1 d .
H201 H 0.5666 0.2754 0.0635 0.195 Uiso 1 1 calc R
C202 C 0.5842(12) 0.1684(16) 0.1724(13) 0.187(9) Uani 1 1 d .
H202 H 0.6058 0.2422 0.2005 0.225 Uiso 1 1 calc R
C203 C 0.584(3) 0.097(3) 0.2149(18) 0.23(2) Uani 1 1 d .
H203 H 0.6057 0.1239 0.2730 0.279 Uiso 1 1 calc R
C204 C 0.5567(18) -0.003(2) 0.1814(13) 0.190(12) Uani 1 1 d .
H204 H 0.5583 -0.0472 0.2152 0.228 Uiso 1 1 calc R
C205 C 0.4891(15) -0.1650(16) 0.0432(17) 0.168(8) Uani 1 1 d .
H205 H 0.4928 -0.2141 0.0725 0.201 Uiso 1 1 calc R
C206 C 0.5517(9) 0.1296(13) 0.0865(9) 0.112(3) Uani 1 1 d .
C207 C 0.5174(6) 0.0185(8) 0.0444(4) 0.074(2) Uani 1 1 d .
C208 C 0.5217(8) -0.0546(13) 0.0892(7) 0.104(4) Uani 1 1 d .
P100 P 0.6507(2) 0.78342(19) 0.34242(12) 0.0813(7) Uani 1 1 d .
F106 F 0.6585(7) 0.9022(5) 0.3415(4) 0.168(2) Uani 1 1 d .
F105 F 0.6174(8) 0.7429(6) 0.2483(3) 0.195(3) Uani 1 1 d .
F104 F 0.4997(6) 0.7564(6) 0.3300(5) 0.178(3) Uani 1 1 d .
F103 F 0.6436(7) 0.6704(5) 0.3490(5) 0.179(3) Uani 1 1 d .
F102 F 0.7992(6) 0.8091(8) 0.3586(6) 0.228(4) Uani 1 1 d .
F101 F 0.6708(10) 0.8248(6) 0.4366(4) 0.214(4) 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N31 Ag1 N21 136.9(2) 1_554 1_665
N31 Ag1 N11 123.90(19) 1_554 .
N21 Ag1 N11 97.3(2) 1_665 .
C16 O1 C1 118.2(5) . .
C26 O2 C3 122.2(5) . .
C36 O3 C5 117.4(5) . .
C2 C1 C6 122.7(6) . .
C2 C1 O1 116.1(5) . .
C6 C1 O1 121.1(6) . .
C3 C2 C1 118.5(6) . .
C2 C3 C4 122.1(6) . .
C2 C3 O2 112.0(6) . .
C4 C3 O2 125.8(6) . .
C5 C4 C3 117.3(6) . .
C4 C5 C6 123.1(6) . .
C4 C5 O3 117.3(5) . .
C6 C5 O3 119.4(6) . .
C5 C6 C1 116.4(6) . .
C15 N11 C11 116.6(6) . .
C15 N11 Ag1 126.8(5) . .
C11 N11 Ag1 115.3(5) . .
N11 C11 C12 123.6(6) . .
C11 C12 C13 119.3(7) . .
C14 C13 C12 117.7(6) . .
C14 C13 C16 119.7(6) . .
C12 C13 C16 122.6(7) . .
C13 C14 C15 119.2(6) . .
N11 C15 C14 123.6(7) . .
O11 C16 O1 124.8(6) . .
O11 C16 C13 124.7(7) . .
O1 C16 C13 110.4(6) . .
C21 N21 C25 116.1(6) . .
C21 N21 Ag1 124.5(4) . 1_445
C25 N21 Ag1 118.8(5) . 1_445
N21 C21 C22 125.4(6) . .
C21 C22 C23 117.4(7) . .
C24 C23 C22 118.9(6) . .
C24 C23 C26 119.0(6) . .
C22 C23 C26 122.1(7) . .
C23 C24 C25 118.8(6) . .
N21 C25 C24 123.4(6) . .
O21 C26 O2 126.5(7) . .
O21 C26 C23 122.8(7) . .
O2 C26 C23 110.6(6) . .
C35 N31 C31 117.3(5) . .
C35 N31 Ag1 119.9(4) . 1_556
C31 N31 Ag1 122.4(4) . 1_556
N31 C31 C32 122.8(6) . .
C33 C32 C31 119.2(6) . .
C34 C33 C32 118.3(5) . .
C34 C33 C36 122.6(6) . .
C32 C33 C36 118.9(6) . .
C33 C34 C35 119.2(6) . .
N31 C35 C34 123.0(6) . .
O31 C36 O3 124.0(6) . .
O31 C36 C33 122.3(7) . .
O3 C36 C33 113.6(6) . .
C111 C101 C102 123.2(12) . .
C101 C102 C114 121.4(12) . .
C104 C103 C114 120.5(14) . .
C105 C104 C103 121.0(15) . .
C104 C105 C115 119.7(15) . .
C107 C106 C115 120.3(11) . .
C106 C107 C116 122.6(11) . .
C109 C108 C116 119.9(13) . .
C110 C109 C108 125.1(17) . .
C109 C110 C111 117.1(13) . .
C101 C111 C112 118.3(12) . .
C101 C111 C110 121.0(13) . .
C112 C111 C110 120.6(13) . .
C111 C112 C113 123.5(11) . .
C111 C112 C116 119.6(11) . .
C113 C112 C116 116.8(8) . .
C115 C113 C112 123.9(10) . .
C115 C113 C114 117.8(11) . .
C112 C113 C114 118.2(9) . .
C113 C114 C103 119.0(12) . .
C113 C114 C102 115.2(10) . .
C103 C114 C102 125.7(15) . .
C113 C115 C105 121.8(13) . .
C113 C115 C106 118.1(11) . .
C105 C115 C106 120.1(13) . .
C108 C116 C112 117.6(11) . .
C108 C116 C107 124.2(13) . .
C112 C116 C107 118.1(10) . .
C205 C201 C206 121.5(18) 2_655 .
C203 C202 C206 118(2) . .
C204 C203 C202 124(3) . .
C203 C204 C208 122(3) . .
C201 C205 C208 123.3(17) 2_655 .
C202 C206 C207 120.5(15) . .
C202 C206 C201 121.4(18) . .
C207 C206 C201 118.0(12) . .
C208 C207 C206 120.6(10) . .
C208 C207 C207 120.5(12) . 2_655
C206 C207 C207 118.9(11) . 2_655
C205 C208 C207 117.8(11) . .
C205 C208 C204 128.3(15) . .
C207 C208 C204 113.9(14) . .
F101 P100 F105 174.5(5) . .
F101 P100 F103 88.6(4) . .
F105 P100 F103 92.6(4) . .
F101 P100 F102 90.7(5) . .
F105 P100 F102 94.7(5) . .
F103 P100 F102 90.4(5) . .
F101 P100 F104 86.9(5) . .
F105 P100 F104 87.7(4) . .
F103 P100 F104 88.3(4) . .
F102 P100 F104 177.3(5) . .
F101 P100 F106 87.9(4) . .
F105 P100 F106 90.8(4) . .
F103 P100 F106 176.5(4) . .
F102 P100 F106 89.9(5) . .
F104 P100 F106 91.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N31 2.200(5) 1_554
Ag1 N21 2.285(5) 1_665
Ag1 N11 2.301(6) .
O1 C16 1.346(8) .
O1 C1 1.404(7) .
O2 C26 1.293(8) .
O2 C3 1.404(7) .
O3 C36 1.327(8) .
O3 C5 1.403(6) .
C1 C2 1.363(9) .
C1 C6 1.394(8) .
C2 C3 1.369(8) .
C3 C4 1.381(8) .
C4 C5 1.383(8) .
C5 C6 1.376(8) .
N11 C15 1.318(8) .
N11 C11 1.329(8) .
O11 C16 1.177(7) .
C11 C12 1.355(9) .
C12 C13 1.376(8) .
C13 C14 1.362(8) .
C13 C16 1.504(9) .
C14 C15 1.372(9) .
N21 C21 1.322(8) .
N21 C25 1.347(7) .
N21 Ag1 2.285(5) 1_445
O21 C26 1.179(8) .
C21 C22 1.371(9) .
C22 C23 1.390(8) .
C23 C24 1.377(9) .
C23 C26 1.522(9) .
C24 C25 1.374(8) .
N31 C35 1.321(7) .
N31 C31 1.341(8) .
N31 Ag1 2.200(5) 1_556
O31 C36 1.200(7) .
C31 C32 1.381(8) .
C32 C33 1.358(8) .
C33 C34 1.382(8) .
C33 C36 1.488(8) .
C34 C35 1.374(8) .
C101 C111 1.361(14) .
C101 C102 1.366(15) .
C102 C114 1.465(14) .
C103 C104 1.423(18) .
C103 C114 1.369(15) .
C104 C105 1.352(17) .
C105 C115 1.403(15) .
C106 C107 1.351(14) .
C106 C115 1.403(14) .
C107 C116 1.431(13) .
C108 C109 1.358(16) .
C108 C116 1.398(13) .
C109 C110 1.324(18) .
C110 C111 1.429(16) .
C111 C112 1.383(11) .
C112 C113 1.412(12) .
C112 C116 1.429(12) .
C113 C115 1.386(12) .
C113 C114 1.472(13) .
C201 C205 1.27(2) 2_655
C201 C206 1.45(2) .
C202 C203 1.35(3) .
C202 C206 1.374(18) .
C203 C204 1.25(4) .
C204 C208 1.48(2) .
C205 C201 1.27(2) 2_655
C205 C208 1.406(18) .
C206 C207 1.398(14) .
C207 C208 1.401(12) .
C207 C207 1.418(14) 2_655
P100 F101 1.529(6) .
P100 F105 1.508(6) .
P100 F103 1.533(6) .
P100 F102 1.519(7) .
P100 F104 1.555(6) .
P100 F106 1.578(6) .
