#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:21:52 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179057 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301920.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_4301920
loop_
_publ_author_name
'Jae-Hyuk Her'
'Peter W. Stephens'
'Jordi Ribas-Ariño'
'Juan J. Novoa'
'William W. Shum'
'Joel S. Miller'
_publ_contact_author_address
;
Department of Physics & Astronomy
Stony Brook University
Stony Brook
NY 11794-3800 
USA
;
_publ_contact_author_email       pstephens@sunysb.edu
_publ_contact_author_fax         631-632-8176
_publ_contact_author_name        'Peter Stephens'
_publ_contact_author_phone       631-632-8156
_publ_section_title
;
Structure and Magnetic Interactions in the Organic-Based Ferromagnet
Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3296
_journal_page_last               3307
_journal_paper_doi               10.1021/ic801679m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C20 H30 Fe 1+, C6 N4 1-'
_chemical_formula_structural     '(Fe(C5(C H3)5)2) (C2(C N)4)'
_chemical_formula_sum            'C26 H30 Fe N4'
_chemical_formula_weight         454.4
_chemical_name_systematic
; 
decamethylferrocenium tetracyanoethenide
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.153(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.7100(7)
_cell_length_b                   14.4926(10)
_cell_length_c                   9.4997(7)
_cell_measurement_temperature    250
_cell_volume                     1229.16(15)
_computing_cell_refinement       TOPAS-Academic
_computing_data_collection       Super
_computing_data_reduction        TOPAS-Academic
_computing_molecular_graphics    Diamond
_computing_structure_refinement  TOPAS-Academic
_computing_structure_solution    TOPAS-Academic
_diffrn_ambient_temperature      250
_diffrn_detector                 'NaI scintillation counter'
_diffrn_measurement_device_type  'Huber diffractometer'
_diffrn_radiation_monochromator  'Si(111) double reflection monochromator'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.699532
_diffrn_source                   synchrotron
_exptl_absorpt_correction_type   none
_pd_char_colour                  black
_pd_instr_location
; 
X3B1, National Synchrotron Light Source, Brookhaven National Laboratory
;
_pd_meas_2theta_range_inc        .005
_pd_meas_2theta_range_max        32.490
_pd_meas_2theta_range_min        4.0
_pd_meas_number_of_points        5699
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        32.5
_pd_proc_2theta_range_min        4.
_pd_proc_ls_background_function
;
Manual extraction
;
_pd_proc_ls_pref_orient_corr
; 
none
;
_pd_proc_ls_profile_function
;
Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic
;
_pd_proc_ls_prof_R_factor        0.040
_pd_proc_ls_prof_wR_expected     0.022
_pd_proc_ls_prof_wR_factor       0.047
_pd_proc_wavelength              0.699532
_pd_spec_mounting
;
glass capillary(diameter 1mm)
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.125
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     48
_refine_ls_shift/su_max          .001
_refine_ls_weighting_details     1/(sigma*sigma)
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic801679m_si_003.cif
_cod_data_source_block           250K
_cod_original_cell_volume        1229.2(2)
_cod_database_code               4301920
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'
3 '-x, -y, -z'
4 'x, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
C1 C 4 0.9411309 0.2036758 0.8660875 0.5 3.837710
C2 C 4 1.01357 0.1588446 0.7914852 0.5 3.837710
C3 C 4 1.076851 0.2223093 0.7323111 0.5 3.837710
C4 C 4 1.043521 0.3063639 0.7703417 0.5 3.837710
C5 C 4 0.9596413 0.2948478 0.85302 0.5 3.837710
C6 C 4 0.854983 0.1597818 0.9491283 0.5 3.837710
C7 C 4 1.022246 0.0562665 0.7768717 0.5 3.837710
C8 C 4 1.16836 0.2028065 0.6402385 0.5 3.837710
C9 C 4 1.091402 0.3968886 0.7280512 0.5 3.837710
C10 C 4 0.8977236 0.3702979 0.9189556 0.5 3.837710
Fe11 Fe 4 0.84569 0.23977 0.63579 0.5 4.596810
C12 C 4 0.617759 0.2110839 0.5333634 0.5 3.837710
C13 C 4 0.6388667 0.3016544 0.5176801 0.5 3.837710
C14 C 4 0.7229511 0.310243 0.434627 0.5 3.837710
C15 C 4 0.7538106 0.2249805 0.3989808 0.5 3.837710
C16 C 4 0.6887983 0.1636968 0.4600033 0.5 3.837710
C17 C 4 0.5304774 0.1701804 0.6177056 0.5 3.837710
C18 C 4 0.5792149 0.3793079 0.5814927 0.5 3.837710
C19 C 4 0.773366 0.399139 0.3897232 0.5 3.837710
C20 C 4 0.8446204 0.2022677 0.3074161 0.5 3.837710
C21 C 4 0.694507 0.06076356 0.4483169 0.5 3.837710
H6a H 4 0.8209793 0.08489827 0.9117419 0.5 3.837710
H6b H 4 0.9211179 0.1570786 1.079413 0.5 3.837710
H6c H 4 0.7455139 0.1979636 0.930779 0.5 3.837710
H7a H 4 1.053536 0.03461789 0.6768443 0.5 3.837710
H7b H 4 1.10994 0.02243532 0.8840786 0.5 3.837710
H7c H 4 0.9110488 0.01965862 0.7565732 0.5 3.837710
H8a H 4 1.205408 0.2686439 0.5973834 0.5 3.837710
H8b H 4 1.276549 0.1628605 0.7078645 0.5 3.837710
H8c H 4 1.105275 0.159407 0.5328112 0.5 3.837710
H9a H 4 1.18201 0.433221 0.8301269 0.5 3.837710
H9b H 4 1.140485 0.3898669 0.6364569 0.5 3.837710
H9c H 4 0.9946935 0.4488449 0.6796045 0.5 3.837710
H10a H 4 0.7966171 0.4069591 0.8285437 0.5 3.837710
H10b H 4 0.8573402 0.344355 1.01056 0.5 3.837710
H10c H 4 0.983628 0.4273136 0.976956 0.5 3.837710
H17a H 4 0.5400355 0.212302 0.7236492 0.5 3.837710
H17b H 4 0.4044731 0.1647593 0.543757 0.5 3.837710
H17c H 4 0.5685679 0.09675961 0.6614272 0.5 3.837710
H18a H 4 0.6682046 0.4341437 0.6425949 0.5 3.837710
H18b H 4 0.4825792 0.4182785 0.4892497 0.5 3.837710
H18c H 4 0.5333096 0.3552137 0.6699202 0.5 3.837710
H19a H 4 0.6767861 0.4403385 0.3014534 0.5 3.837710
H19b H 4 0.8290316 0.4481591 0.4915011 0.5 3.837710
H19c H 4 0.8595392 0.388724 0.3359037 0.5 3.837710
H20a H 4 0.8357384 0.2574436 0.2173609 0.5 3.837710
H20b H 4 0.9702989 0.1948932 0.3815374 0.5 3.837710
H20c H 4 0.8093469 0.1340764 0.2411495 0.5 3.837710
H21a H 4 0.5787404 0.02667901 0.4114863 0.5 3.837710
H21b H 4 0.7418128 0.0368892 0.3608777 0.5 3.837710
H21c H 4 0.7680927 0.02631603 0.5620957 0.5 3.837710
C22 C 4 0.36121 0.26243 0.12018 0.5 7.303810
C23 C 4 0.3354847 0.1805529 0.1469918 0.5 7.303810
C24 C 4 0.4450502 0.277192 0.03156754 0.5 7.303810
C25 C 4 0.3044956 0.3340026 0.1805209 0.5 7.303810
C26 C 4 0.392199 0.1089803 0.08665089 0.5 7.303810
C27 C 4 0.2516445 0.1657908 0.2356043 0.5 7.303810
N28 N 4 0.5115788 0.2995421 -0.038696 0.5 7.303810
N29 N 4 0.2654223 0.3990357 0.2221696 0.5 7.303810
N30 N 4 0.4312724 0.04394713 0.04500223 0.5 7.303810
N31 N 4 0.1851158 0.1434408 0.3058678 0.5 7.303810
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
_atom_type_scat_length_neutron
? ? ? ? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C5 108.00 1_555 1_555 1_555 no
C2 C1 C6 126.00 1_555 1_555 1_555 no
C2 C1 Fe11 71.12 1_555 1_555 1_555 no
C5 C1 C6 126.00 1_555 1_555 1_555 no
C5 C1 Fe11 71.12 1_555 1_555 1_555 no
C6 C1 Fe11 123.40 1_555 1_555 1_555 no
C1 C2 C3 108.00 1_555 1_555 1_555 no
C1 C2 C7 126.00 1_555 1_555 1_555 no
C1 C2 Fe11 71.12 1_555 1_555 1_555 no
C3 C2 C7 125.99 1_555 1_555 1_555 no
C3 C2 Fe11 71.12 1_555 1_555 1_555 no
C7 C2 Fe11 123.40 1_555 1_555 1_555 no
C2 C3 C4 108.00 1_555 1_555 1_555 no
C2 C3 C8 126.00 1_555 1_555 1_555 no
C2 C3 Fe11 71.12 1_555 1_555 1_555 no
C4 C3 C8 126.00 1_555 1_555 1_555 no
C4 C3 Fe11 71.12 1_555 1_555 1_555 no
C8 C3 Fe11 123.40 1_555 1_555 1_555 no
C3 C4 C5 108.00 1_555 1_555 1_555 no
C3 C4 C9 126.00 1_555 1_555 1_555 no
C3 C4 Fe11 71.12 1_555 1_555 1_555 no
C5 C4 C9 125.99 1_555 1_555 1_555 no
C5 C4 Fe11 71.12 1_555 1_555 1_555 no
C9 C4 Fe11 123.40 1_555 1_555 1_555 no
C1 C5 C4 108.00 1_555 1_555 1_555 no
C1 C5 C10 126.00 1_555 1_555 1_555 no
C1 C5 Fe11 71.12 1_555 1_555 1_555 no
C4 C5 C10 126.00 1_555 1_555 1_555 no
C4 C5 Fe11 71.12 1_555 1_555 1_555 no
C10 C5 Fe11 123.40 1_555 1_555 1_555 no
H6a C6 H6b 105.77 1_555 1_555 1_555 no
H6a C6 H6c 105.76 1_555 1_555 1_555 no
H6a C6 C1 112.97 1_555 1_555 1_555 no
H6b C6 H6c 105.76 1_555 1_555 1_555 no
H6b C6 C1 112.96 1_555 1_555 1_555 no
H6c C6 C1 112.96 1_555 1_555 1_555 no
H7a C7 H7b 105.76 1_555 1_555 1_555 no
H7a C7 H7c 105.76 1_555 1_555 1_555 no
H7a C7 C2 112.97 1_555 1_555 1_555 no
H7b C7 H7c 105.76 1_555 1_555 1_555 no
H7b C7 C2 112.96 1_555 1_555 1_555 no
H7c C7 C2 112.97 1_555 1_555 1_555 no
H8a C8 H8b 105.76 1_555 1_555 1_555 no
H8a C8 H8c 105.75 1_555 1_555 1_555 no
H8a C8 C3 112.97 1_555 1_555 1_555 no
H8b C8 H8c 105.75 1_555 1_555 1_555 no
H8b C8 C3 112.97 1_555 1_555 1_555 no
H8c C8 C3 112.97 1_555 1_555 1_555 no
H9a C9 H9b 105.76 1_555 1_555 1_555 no
H9a C9 H9c 105.77 1_555 1_555 1_555 no
H9a C9 C4 112.96 1_555 1_555 1_555 no
H9b C9 H9c 105.76 1_555 1_555 1_555 no
H9b C9 C4 112.97 1_555 1_555 1_555 no
H9c C9 C4 112.97 1_555 1_555 1_555 no
H10a C10 H10b 105.77 1_555 1_555 1_555 no
H10a C10 H10c 105.76 1_555 1_555 1_555 no
H10a C10 C5 112.96 1_555 1_555 1_555 no
H10b C10 H10c 105.76 1_555 1_555 1_555 no
H10b C10 C5 112.96 1_555 1_555 1_555 no
H10c C10 C5 112.96 1_555 1_555 1_555 no
C13 C12 C16 108.00 1_555 1_555 1_555 no
C13 C12 C17 126.00 1_555 1_555 1_555 no
C13 C12 Fe11 71.12 1_555 1_555 1_555 no
C16 C12 C17 126.01 1_555 1_555 1_555 no
C16 C12 Fe11 71.12 1_555 1_555 1_555 no
C17 C12 Fe11 123.40 1_555 1_555 1_555 no
C12 C13 C14 108.00 1_555 1_555 1_555 no
C12 C13 C18 126.00 1_555 1_555 1_555 no
C12 C13 Fe11 71.12 1_555 1_555 1_555 no
C14 C13 C18 126.00 1_555 1_555 1_555 no
C14 C13 Fe11 71.12 1_555 1_555 1_555 no
C18 C13 Fe11 123.40 1_555 1_555 1_555 no
C13 C14 C15 108.00 1_555 1_555 1_555 no
C13 C14 C19 126.00 1_555 1_555 1_555 no
C13 C14 Fe11 71.12 1_555 1_555 1_555 no
C15 C14 C19 126.00 1_555 1_555 1_555 no
C15 C14 Fe11 71.12 1_555 1_555 1_555 no
C19 C14 Fe11 123.40 1_555 1_555 1_555 no
C14 C15 C16 108.00 1_555 1_555 1_555 no
C14 C15 C20 126.00 1_555 1_555 1_555 no
C14 C15 Fe11 71.12 1_555 1_555 1_555 no
C16 C15 C20 126.00 1_555 1_555 1_555 no
C16 C15 Fe11 71.12 1_555 1_555 1_555 no
C20 C15 Fe11 123.40 1_555 1_555 1_555 no
C12 C16 C15 108.00 1_555 1_555 1_555 no
C12 C16 C21 125.99 1_555 1_555 1_555 no
C12 C16 Fe11 71.12 1_555 1_555 1_555 no
C15 C16 C21 126.00 1_555 1_555 1_555 no
C15 C16 Fe11 71.12 1_555 1_555 1_555 no
C21 C16 Fe11 123.40 1_555 1_555 1_555 no
H17a C17 H17b 105.76 1_555 1_555 1_555 no
H17a C17 H17c 105.76 1_555 1_555 1_555 no
H17a C17 C12 112.97 1_555 1_555 1_555 no
H17b C17 H17c 105.76 1_555 1_555 1_555 no
H17b C17 C12 112.96 1_555 1_555 1_555 no
H17c C17 C12 112.97 1_555 1_555 1_555 no
H18a C18 H18b 105.76 1_555 1_555 1_555 no
H18a C18 H18c 105.76 1_555 1_555 1_555 no
H18a C18 C13 112.96 1_555 1_555 1_555 no
H18b C18 H18c 105.77 1_555 1_555 1_555 no
H18b C18 C13 112.97 1_555 1_555 1_555 no
H18c C18 C13 112.96 1_555 1_555 1_555 no
H19a C19 H19b 105.76 1_555 1_555 1_555 no
H19a C19 H19c 105.76 1_555 1_555 1_555 no
H19a C19 C14 112.97 1_555 1_555 1_555 no
H19b C19 H19c 105.77 1_555 1_555 1_555 no
H19b C19 C14 112.96 1_555 1_555 1_555 no
H19c C19 C14 112.96 1_555 1_555 1_555 no
H20a C20 H20b 105.76 1_555 1_555 1_555 no
H20a C20 H20c 105.75 1_555 1_555 1_555 no
H20a C20 C15 112.97 1_555 1_555 1_555 no
H20b C20 H20c 105.76 1_555 1_555 1_555 no
H20b C20 C15 112.97 1_555 1_555 1_555 no
H20c C20 C15 112.97 1_555 1_555 1_555 no
H21a C21 H21b 105.76 1_555 1_555 1_555 no
H21a C21 H21c 105.76 1_555 1_555 1_555 no
H21a C21 C16 112.96 1_555 1_555 1_555 no
H21b C21 H21c 105.77 1_555 1_555 1_555 no
H21b C21 C16 112.96 1_555 1_555 1_555 no
H21c C21 C16 112.96 1_555 1_555 1_555 no
C23 C22 C24 118.33 1_555 1_555 1_555 no
C23 C22 C25 118.34 1_555 1_555 1_555 no
C24 C22 C25 123.33 1_555 1_555 1_555 no
C22 C23 C26 118.34 1_555 1_555 1_555 no
C22 C23 C27 118.33 1_555 1_555 1_555 no
C26 C23 C27 123.33 1_555 1_555 1_555 no
N28 C24 C22 172.34 1_555 1_555 1_555 no
N29 C25 C22 172.34 1_555 1_555 1_555 no
N30 C26 C23 172.34 1_555 1_555 1_555 no
N31 C27 C23 172.34 1_555 1_555 1_555 no
C1 Fe11 C2 37.76 1_555 1_555 1_555 no
C1 Fe11 C3 63.14 1_555 1_555 1_555 no
C1 Fe11 C4 63.14 1_555 1_555 1_555 no
C1 Fe11 C5 37.76 1_555 1_555 1_555 no
C1 Fe11 C12 113.21 1_555 1_555 1_555 no
C1 Fe11 C13 127.77 1_555 1_555 1_555 no
C1 Fe11 C14 161.38 1_555 1_555 1_555 no
C1 Fe11 C15 159.45 1_555 1_555 1_555 no
C1 Fe11 C16 126.46 1_555 1_555 1_555 no
C2 Fe11 C3 37.76 1_555 1_555 1_555 no
C2 Fe11 C4 63.14 1_555 1_555 1_555 no
C2 Fe11 C5 63.14 1_555 1_555 1_555 no
C2 Fe11 C12 127.77 1_555 1_555 1_555 no
C2 Fe11 C13 161.38 1_555 1_555 1_555 no
C2 Fe11 C14 159.45 1_555 1_555 1_555 no
C2 Fe11 C15 126.46 1_555 1_555 1_555 no
C2 Fe11 C16 113.21 1_555 1_555 1_555 no
C3 Fe11 C4 37.76 1_555 1_555 1_555 no
C3 Fe11 C5 63.14 1_555 1_555 1_555 no
C3 Fe11 C12 161.38 1_555 1_555 1_555 no
C3 Fe11 C13 159.45 1_555 1_555 1_555 no
C3 Fe11 C14 126.46 1_555 1_555 1_555 no
C3 Fe11 C15 113.21 1_555 1_555 1_555 no
C3 Fe11 C16 127.77 1_555 1_555 1_555 no
C4 Fe11 C5 37.76 1_555 1_555 1_555 no
C4 Fe11 C12 159.45 1_555 1_555 1_555 no
C4 Fe11 C13 126.46 1_555 1_555 1_555 no
C4 Fe11 C14 113.21 1_555 1_555 1_555 no
C4 Fe11 C15 127.77 1_555 1_555 1_555 no
C4 Fe11 C16 161.38 1_555 1_555 1_555 no
C5 Fe11 C12 126.46 1_555 1_555 1_555 no
C5 Fe11 C13 113.21 1_555 1_555 1_555 no
C5 Fe11 C14 127.77 1_555 1_555 1_555 no
C5 Fe11 C15 161.38 1_555 1_555 1_555 no
C5 Fe11 C16 159.45 1_555 1_555 1_555 no
C12 Fe11 C13 37.76 1_555 1_555 1_555 no
C12 Fe11 C14 63.14 1_555 1_555 1_555 no
C12 Fe11 C15 63.14 1_555 1_555 1_555 no
C12 Fe11 C16 37.76 1_555 1_555 1_555 no
C13 Fe11 C14 37.76 1_555 1_555 1_555 no
C13 Fe11 C15 63.14 1_555 1_555 1_555 no
C13 Fe11 C16 63.14 1_555 1_555 1_555 no
C14 Fe11 C15 37.76 1_555 1_555 1_555 no
C14 Fe11 C16 63.14 1_555 1_555 1_555 no
C15 Fe11 C16 37.76 1_555 1_555 1_555 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.346 1_555 1_555 no
C1 C5 1.346 1_555 1_555 no
C1 C6 1.499 1_555 1_555 no
C1 Fe11 2.080 1_555 1_555 no
C2 C1 1.346 1_555 1_555 no
C2 C3 1.346 1_555 1_555 no
C2 C7 1.499 1_555 1_555 no
C2 Fe11 2.080 1_555 1_555 no
C3 C2 1.346 1_555 1_555 no
C3 C4 1.346 1_555 1_555 no
C3 C8 1.499 1_555 1_555 no
C3 Fe11 2.080 1_555 1_555 no
C4 C3 1.346 1_555 1_555 no
C4 C5 1.346 1_555 1_555 no
C4 C9 1.499 1_555 1_555 no
C4 Fe11 2.080 1_555 1_555 no
C5 C1 1.346 1_555 1_555 no
C5 C4 1.346 1_555 1_555 no
C5 C10 1.499 1_555 1_555 no
C5 Fe11 2.080 1_555 1_555 no
C6 H6a 1.149 1_555 1_555 no
C6 H6b 1.149 1_555 1_555 no
C6 H6c 1.149 1_555 1_555 no
C6 C1 1.499 1_555 1_555 no
C7 H7a 1.149 1_555 1_555 no
C7 H7b 1.149 1_555 1_555 no
C7 H7c 1.149 1_555 1_555 no
C7 C2 1.499 1_555 1_555 no
C8 H8a 1.149 1_555 1_555 no
C8 H8b 1.149 1_555 1_555 no
C8 H8c 1.149 1_555 1_555 no
C8 C3 1.499 1_555 1_555 no
C9 H9a 1.149 1_555 1_555 no
C9 H9b 1.149 1_555 1_555 no
C9 H9c 1.149 1_555 1_555 no
C9 C4 1.499 1_555 1_555 no
C10 H10a 1.149 1_555 1_555 no
C10 H10b 1.149 1_555 1_555 no
C10 H10c 1.149 1_555 1_555 no
C10 C5 1.499 1_555 1_555 no
C12 C13 1.346 1_555 1_555 no
C12 C16 1.346 1_555 1_555 no
C12 C17 1.499 1_555 1_555 no
C12 Fe11 2.080 1_555 1_555 no
C13 C12 1.346 1_555 1_555 no
C13 C14 1.346 1_555 1_555 no
C13 C18 1.499 1_555 1_555 no
C13 Fe11 2.079 1_555 1_555 no
C14 C13 1.346 1_555 1_555 no
C14 C15 1.346 1_555 1_555 no
C14 C19 1.499 1_555 1_555 no
C14 Fe11 2.080 1_555 1_555 no
C15 C14 1.346 1_555 1_555 no
C15 C16 1.346 1_555 1_555 no
C15 C20 1.499 1_555 1_555 no
C15 Fe11 2.080 1_555 1_555 no
C16 C12 1.346 1_555 1_555 no
C16 C15 1.346 1_555 1_555 no
C16 C21 1.499 1_555 1_555 no
C16 Fe11 2.080 1_555 1_555 no
C17 H17a 1.149 1_555 1_555 no
C17 H17b 1.149 1_555 1_555 no
C17 H17c 1.149 1_555 1_555 no
C17 C12 1.499 1_555 1_555 no
C18 H18a 1.149 1_555 1_555 no
C18 H18b 1.149 1_555 1_555 no
C18 H18c 1.149 1_555 1_555 no
C18 C13 1.499 1_555 1_555 no
C19 H19a 1.149 1_555 1_555 no
C19 H19b 1.149 1_555 1_555 no
C19 H19c 1.149 1_555 1_555 no
C19 C14 1.499 1_555 1_555 no
C20 H20a 1.149 1_555 1_555 no
C20 H20b 1.149 1_555 1_555 no
C20 H20c 1.149 1_555 1_555 no
C20 C15 1.499 1_555 1_555 no
C21 H21a 1.149 1_555 1_555 no
C21 H21b 1.149 1_555 1_555 no
C21 H21c 1.149 1_555 1_555 no
C21 C16 1.499 1_555 1_555 no
C22 C23 1.259 1_555 1_555 no
C22 C24 1.399 1_555 1_555 no
C22 C25 1.399 1_555 1_555 no
C23 C22 1.259 1_555 1_555 no
C23 C26 1.399 1_555 1_555 no
C23 C27 1.399 1_555 1_555 no
C24 N28 1.143 1_555 1_555 no
C24 C22 1.399 1_555 1_555 no
C25 N29 1.143 1_555 1_555 no
C25 C22 1.399 1_555 1_555 no
C26 N30 1.143 1_555 1_555 no
C26 C23 1.399 1_555 1_555 no
C27 N31 1.143 1_555 1_555 no
C27 C23 1.399 1_555 1_555 no
H6a C6 1.149 1_555 1_555 no
H6b C6 1.149 1_555 1_555 no
H6c C6 1.149 1_555 1_555 no
H7a C7 1.149 1_555 1_555 no
H7b C7 1.149 1_555 1_555 no
H7c C7 1.149 1_555 1_555 no
H8a C8 1.149 1_555 1_555 no
H8b C8 1.149 1_555 1_555 no
H8c C8 1.149 1_555 1_555 no
H9a C9 1.149 1_555 1_555 no
H9b C9 1.149 1_555 1_555 no
H9c C9 1.149 1_555 1_555 no
H10a C10 1.149 1_555 1_555 no
H10b C10 1.149 1_555 1_555 no
H10c C10 1.149 1_555 1_555 no
H17a C17 1.149 1_555 1_555 no
H17b C17 1.149 1_555 1_555 no
H17c C17 1.149 1_555 1_555 no
H18a C18 1.149 1_555 1_555 no
H18b C18 1.149 1_555 1_555 no
H18c C18 1.149 1_555 1_555 no
H19a C19 1.149 1_555 1_555 no
H19b C19 1.149 1_555 1_555 no
H19c C19 1.149 1_555 1_555 no
H20a C20 1.149 1_555 1_555 no
H20b C20 1.149 1_555 1_555 no
H20c C20 1.149 1_555 1_555 no
H21a C21 1.149 1_555 1_555 no
H21b C21 1.149 1_555 1_555 no
H21c C21 1.149 1_555 1_555 no
N28 C24 1.143 1_555 1_555 no
N29 C25 1.143 1_555 1_555 no
N30 C26 1.143 1_555 1_555 no
N31 C27 1.143 1_555 1_555 no
Fe11 C1 2.080 1_555 1_555 no
Fe11 C2 2.080 1_555 1_555 no
Fe11 C3 2.080 1_555 1_555 no
Fe11 C4 2.080 1_555 1_555 no
Fe11 C5 2.080 1_555 1_555 no
Fe11 C12 2.080 1_555 1_555 no
Fe11 C13 2.079 1_555 1_555 no
Fe11 C14 2.080 1_555 1_555 no
Fe11 C15 2.080 1_555 1_555 no
Fe11 C16 2.080 1_555 1_555 no
loop_
_pd_proc_point_id
_pd_proc_2theta_corrected
_pd_proc_intensity_net
_pd_calc_intensity_net
_pd_proc_ls_weight
1 4.000 172 169 0.01235
2 4.005 162 169 0.01291
3 4.010 172 169 0.01235
4 4.015 159 168 0.01352
5 4.020 167 168 0.01291
6 4.025 157 167 0.01352
7 4.030 182 167 0.01156
8 4.035 167 166 0.01262
9 4.040 161 166 0.01384
10 4.045 158 165 0.01321
11 4.050 160 165 0.01321
12 4.055 169 164 0.01235
13 4.060 145 164 0.01452
14 4.065 134 163 0.01563
15 4.070 160 163 0.01321
16 4.075 146 163 0.01452
17 4.080 154 162 0.01384
18 4.085 167 162 0.01262
19 4.090 155 161 0.01352
20 4.095 165 161 0.01291
21 4.100 151 160 0.01417
22 4.105 151 160 0.01417
23 4.110 172 159 0.01235
24 4.115 150 159 0.01417
25 4.120 165 158 0.01291
26 4.125 142 158 0.01487
27 4.130 166 157 0.01262
28 4.135 152 157 0.01384
29 4.140 163 157 0.01291
30 4.145 160 156 0.01321
31 4.150 161 156 0.01321
32 4.155 160 157 0.01321
33 4.160 159 157 0.01321
34 4.165 163 157 0.01291
35 4.170 162 157 0.01321
36 4.175 155 158 0.01352
37 4.180 155 158 0.01352
38 4.185 144 158 0.01452
39 4.190 161 159 0.01321
40 4.195 160 159 0.01321
41 4.200 165 159 0.01262
42 4.205 168 160 0.01262
43 4.210 171 161 0.01235
44 4.215 155 163 0.01352
45 4.220 147 164 0.01417
46 4.225 173 166 0.01235
47 4.230 175 168 0.01208
48 4.235 165 169 0.01291
49 4.240 152 171 0.01384
50 4.245 165 173 0.01291
51 4.250 168 175 0.01262
52 4.255 180 177 0.01181
53 4.260 169 179 0.01235
54 4.265 177 181 0.01208
55 4.270 177 183 0.01181
56 4.275 191 185 0.01108
57 4.280 175 187 0.01208
58 4.285 177 190 0.01181
59 4.290 195 192 0.01085
60 4.295 188 195 0.01108
61 4.300 188 197 0.01132
62 4.305 202 200 0.01041
63 4.310 201 204 0.01041
64 4.315 199 208 0.01063
65 4.320 207 212 0.01020
66 4.325 210 217 0.01000
67 4.330 202 222 0.01041
68 4.335 213 227 0.00980
69 4.340 236 232 0.00890
70 4.345 225 238 0.00943
71 4.350 243 244 0.00873
72 4.355 240 251 0.00873
73 4.360 223 257 0.00943
74 4.365 277 264 0.00769
75 4.370 262 271 0.00812
76 4.375 275 278 0.00769
77 4.380 281 286 0.00743
78 4.385 282 295 0.00743
79 4.390 302 304 0.00694
80 4.395 308 313 0.00683
81 4.400 318 323 0.00661
82 4.405 332 334 0.00630
83 4.410 349 346 0.00601
84 4.415 342 358 0.00620
85 4.420 373 372 0.00565
86 4.425 392 387 0.00533
87 4.430 407 404 0.00518
88 4.435 409 422 0.00518
89 4.440 459 443 0.00463
90 4.445 493 467 0.00427
91 4.450 503 495 0.00422
92 4.455 550 528 0.00381
93 4.460 621 567 0.00338
94 4.465 659 617 0.00319
95 4.470 710 683 0.00299
96 4.475 782 782 0.00268
97 4.480 830 933 0.00255
98 4.485 881 1093 0.00240
99 4.490 851 1047 0.00248
100 4.495 728 712 0.00289
101 4.500 673 466 0.00312
102 4.505 573 385 0.00367
103 4.510 557 368 0.00376
104 4.515 514 367 0.00411
105 4.520 510 373 0.00411
106 4.525 486 382 0.00433
107 4.530 509 394 0.00416
108 4.535 526 409 0.00401
109 4.540 547 428 0.00386
110 4.545 582 450 0.00363
111 4.550 579 476 0.00363
112 4.555 609 509 0.00346
113 4.560 610 549 0.00346
114 4.565 661 603 0.00319
115 4.570 699 677 0.00302
116 4.575 792 789 0.00268
117 4.580 817 963 0.00258
118 4.585 864 1132 0.00243
119 4.590 788 1037 0.00268
120 4.595 687 617 0.00305
121 4.600 520 338 0.00406
122 4.605 392 250 0.00533
123 4.610 306 223 0.00683
124 4.615 255 210 0.00826
125 4.620 240 202 0.00873
126 4.625 227 196 0.00925
127 4.630 204 193 0.01041
128 4.635 204 190 0.01041
129 4.640 195 188 0.01085
130 4.645 197 187 0.01063
131 4.650 199 186 0.01063
132 4.655 198 185 0.01063
133 4.660 182 185 0.01156
134 4.665 184 184 0.01132
135 4.670 194 184 0.01085
136 4.675 189 184 0.01108
137 4.680 182 184 0.01156
138 4.685 179 183 0.01181
139 4.690 188 183 0.01132
140 4.695 187 183 0.01132
141 4.700 176 183 0.01181
142 4.705 182 183 0.01156
143 4.710 180 183 0.01156
144 4.715 187 183 0.01132
145 4.720 184 183 0.01132
146 4.725 183 183 0.01156
147 4.730 186 183 0.01132
148 4.735 172 183 0.01235
149 4.740 198 184 0.01063
150 4.745 183 185 0.01156
151 4.750 179 188 0.01181
152 4.755 189 190 0.01108
153 4.760 184 193 0.01132
154 4.765 198 196 0.01063
155 4.770 176 200 0.01208
156 4.775 208 203 0.01000
157 4.780 200 206 0.01063
158 4.785 210 210 0.01000
159 4.790 202 214 0.01041
160 4.795 181 217 0.01156
161 4.800 203 221 0.01041
162 4.805 206 225 0.01020
163 4.810 218 229 0.00961
164 4.815 226 234 0.00925
165 4.820 225 238 0.00943
166 4.825 219 242 0.00961
167 4.830 230 247 0.00907
168 4.835 221 252 0.00961
169 4.840 245 257 0.00857
170 4.845 262 262 0.00797
171 4.850 267 268 0.00783
172 4.855 265 274 0.00797
173 4.860 249 280 0.00842
174 4.865 268 286 0.00783
175 4.870 270 293 0.00783
176 4.875 292 300 0.00718
177 4.880 275 307 0.00769
178 4.885 304 314 0.00694
179 4.890 286 322 0.00743
180 4.895 325 330 0.00650
181 4.900 326 339 0.00650
182 4.905 334 349 0.00630
183 4.910 333 359 0.00630
184 4.915 349 370 0.00601
185 4.920 380 382 0.00557
186 4.925 370 395 0.00565
187 4.930 375 409 0.00557
188 4.935 418 425 0.00503
189 4.940 414 442 0.00510
190 4.945 429 462 0.00489
191 4.950 493 484 0.00422
192 4.955 545 510 0.00386
193 4.960 547 539 0.00386
194 4.965 591 575 0.00354
195 4.970 622 618 0.00338
196 4.975 665 673 0.00319
197 4.980 767 746 0.00274
198 4.985 919 853 0.00231
199 4.990 1074 1012 0.00196
200 4.995 1347 1195 0.00157
201 5.000 1498 1237 0.00140
202 5.005 987 981 0.00214
203 5.010 564 608 0.00372
204 5.015 350 390 0.00610
205 5.020 329 314 0.00640
206 5.025 281 290 0.00743
207 5.030 263 279 0.00797
208 5.035 246 275 0.00857
209 5.040 234 275 0.00907
210 5.045 274 276 0.00769
211 5.050 242 279 0.00873
212 5.055 268 282 0.00783
213 5.060 265 286 0.00797
214 5.065 261 291 0.00812
215 5.070 262 296 0.00812
216 5.075 290 301 0.00731
217 5.080 307 307 0.00694
218 5.085 295 314 0.00718
219 5.090 298 321 0.00706
220 5.095 332 328 0.00640
221 5.100 307 336 0.00694
222 5.105 332 345 0.00640
223 5.110 340 354 0.00620
224 5.115 368 365 0.00574
225 5.120 362 377 0.00583
226 5.125 392 390 0.00541
227 5.130 367 404 0.00574
228 5.135 406 418 0.00518
229 5.140 418 433 0.00503
230 5.145 458 450 0.00463
231 5.150 478 467 0.00439
232 5.155 462 485 0.00457
233 5.160 520 505 0.00406
234 5.165 539 525 0.00391
235 5.170 594 548 0.00359
236 5.175 596 571 0.00354
237 5.180 637 597 0.00330
238 5.185 641 624 0.00330
239 5.190 683 654 0.00309
240 5.195 728 686 0.00289
241 5.200 773 722 0.00274
242 5.205 825 760 0.00255
243 5.210 844 803 0.00250
244 5.215 900 849 0.00233
245 5.220 963 902 0.00218
246 5.225 1074 962 0.00198
247 5.230 1122 1030 0.00189
248 5.235 1213 1110 0.00174
249 5.240 1331 1206 0.00159
250 5.245 1393 1324 0.00151
251 5.250 1568 1476 0.00134
252 5.255 1784 1685 0.00118
253 5.260 1943 1993 0.00109
254 5.265 2103 2411 0.00101
255 5.270 2111 2731 0.00100
256 5.275 1965 2471 0.00107
257 5.280 1771 1625 0.00119
258 5.285 1462 1001 0.00145
259 5.290 1297 772 0.00163
260 5.295 1191 719 0.00177
261 5.300 1148 719 0.00184
262 5.305 1172 744 0.00180
263 5.310 1082 786 0.00196
264 5.315 1133 842 0.00186
265 5.320 1151 911 0.00183
266 5.325 1212 994 0.00174
267 5.330 1341 1095 0.00156
268 5.335 1413 1223 0.00149
269 5.340 1498 1394 0.00140
270 5.345 1633 1638 0.00129
271 5.350 1610 1963 0.00131
272 5.355 1663 2212 0.00127
273 5.360 1569 2039 0.00135
274 5.365 1390 1450 0.00153
275 5.370 1171 1026 0.00181
276 5.375 1093 886 0.00194
277 5.380 989 868 0.00212
278 5.385 969 887 0.00218
279 5.390 910 918 0.00233
280 5.395 958 958 0.00220
281 5.400 1005 1004 0.00210
282 5.405 1008 1055 0.00210
283 5.410 1117 1110 0.00189
284 5.415 1154 1171 0.00183
285 5.420 1196 1236 0.00177
286 5.425 1267 1307 0.00167
287 5.430 1305 1383 0.00161
288 5.435 1414 1465 0.00149
289 5.440 1459 1555 0.00145
290 5.445 1574 1654 0.00133
291 5.450 1711 1761 0.00124
292 5.455 1859 1879 0.00114
293 5.460 1989 2009 0.00107
294 5.465 2162 2154 0.00098
295 5.470 2222 2316 0.00095
296 5.475 2437 2499 0.00087
297 5.480 2666 2708 0.00080
298 5.485 2926 2952 0.00073
299 5.490 3271 3243 0.00065
300 5.495 3554 3596 0.00059
301 5.500 3916 4034 0.00054
302 5.505 4472 4587 0.00047
303 5.510 5089 5320 0.00042
304 5.515 6141 6360 0.00035
305 5.520 7377 7845 0.00029
306 5.525 9824 9523 0.00022
307 5.530 11972 10125 0.00018
308 5.535 9349 8237 0.00023
309 5.540 4399 4888 0.00048
310 5.545 2008 2606 0.00105
311 5.550 1431 1711 0.00149
312 5.555 1261 1440 0.00169
313 5.560 1145 1355 0.00186
314 5.565 1180 1333 0.00180
315 5.570 1185 1345 0.00180
316 5.575 1263 1379 0.00168
317 5.580 1274 1429 0.00167
318 5.585 1414 1491 0.00150
319 5.590 1446 1563 0.00147
320 5.595 1620 1645 0.00130
321 5.600 1646 1736 0.00129
322 5.605 1799 1836 0.00118
323 5.610 1853 1945 0.00114
324 5.615 2045 2064 0.00103
325 5.620 2162 2194 0.00098
326 5.625 2293 2336 0.00092
327 5.630 2455 2490 0.00087
328 5.635 2611 2660 0.00081
329 5.640 2827 2848 0.00075
330 5.645 3009 3055 0.00070
331 5.650 3228 3286 0.00065
332 5.655 3530 3545 0.00060
333 5.660 3820 3838 0.00056
334 5.665 4198 4174 0.00050
335 5.670 4601 4563 0.00046
336 5.675 5116 5021 0.00041
337 5.680 5518 5571 0.00038
338 5.685 6342 6250 0.00033
339 5.690 7062 7121 0.00030
340 5.695 8344 8312 0.00025
341 5.700 9724 10041 0.00022
342 5.705 12191 12461 0.00017
343 5.710 14692 14807 0.00014
344 5.715 16562 14767 0.00013
345 5.720 11810 10909 0.00018
346 5.725 5094 5922 0.00042
347 5.730 2794 2798 0.00075
348 5.735 1559 1516 0.00126
349 5.740 1117 1041 0.00177
350 5.745 830 818 0.00238
351 5.750 660 682 0.00299
352 5.755 548 590 0.00359
353 5.760 524 525 0.00376
354 5.765 476 476 0.00416
355 5.770 433 439 0.00457
356 5.775 389 409 0.00510
357 5.780 381 386 0.00518
358 5.785 344 367 0.00574
359 5.790 345 351 0.00574
360 5.795 326 338 0.00601
361 5.800 309 327 0.00640
362 5.805 312 317 0.00630
363 5.810 286 309 0.00694
364 5.815 294 301 0.00672
365 5.820 290 295 0.00683
366 5.825 281 289 0.00706
367 5.830 270 284 0.00731
368 5.835 283 279 0.00694
369 5.840 256 275 0.00783
370 5.845 255 271 0.00783
371 5.850 273 267 0.00731
372 5.855 260 263 0.00769
373 5.860 271 259 0.00731
374 5.865 251 256 0.00783
375 5.870 242 252 0.00812
376 5.875 258 248 0.00769
377 5.880 267 243 0.00743
378 5.885 259 240 0.00769
379 5.890 254 233 0.00783
380 5.895 255 233 0.00769
381 5.900 235 233 0.00842
382 5.905 216 233 0.00925
383 5.910 239 232 0.00826
384 5.915 229 230 0.00857
385 5.920 243 229 0.00812
386 5.925 212 227 0.00943
387 5.930 226 226 0.00873
388 5.935 243 224 0.00812
389 5.940 215 222 0.00925
390 5.945 233 221 0.00857
391 5.950 221 219 0.00890
392 5.955 229 218 0.00873
393 5.960 187 216 0.01063
394 5.965 188 215 0.01063
395 5.970 215 213 0.00925
396 5.975 218 211 0.00907
397 5.980 206 210 0.00961
398 5.985 193 208 0.01020
399 5.990 203 207 0.00980
400 5.995 200 205 0.01000
401 6.000 194 204 0.01020
402 6.005 207 202 0.00961
403 6.010 208 200 0.00961
404 6.015 205 199 0.00961
405 6.020 218 197 0.00890
406 6.025 177 196 0.01156
407 6.030 199 195 0.01000
408 6.035 202 195 0.00980
409 6.040 208 195 0.00943
410 6.045 210 195 0.00943
411 6.050 209 194 0.00943
412 6.055 185 194 0.01063
413 6.060 188 194 0.01063
414 6.065 198 194 0.01000
415 6.070 192 194 0.01020
416 6.075 194 194 0.01020
417 6.080 194 194 0.01020
418 6.085 187 194 0.01063
419 6.090 195 193 0.01020
420 6.095 196 193 0.01020
421 6.100 197 193 0.01000
422 6.105 182 193 0.01085
423 6.110 179 193 0.01108
424 6.115 192 193 0.01041
425 6.120 187 193 0.01063
426 6.125 201 192 0.01000
427 6.130 183 192 0.01085
428 6.135 198 192 0.01000
429 6.140 186 192 0.01063
430 6.145 198 192 0.01020
431 6.150 198 192 0.01000
432 6.155 180 192 0.01108
433 6.160 181 192 0.01085
434 6.165 197 191 0.01000
435 6.170 200 191 0.01000
436 6.175 198 191 0.01000
437 6.180 186 191 0.01063
438 6.185 187 191 0.01063
439 6.190 177 191 0.01108
440 6.195 191 191 0.01041
441 6.200 184 192 0.01085
442 6.205 212 192 0.00943
443 6.210 183 192 0.01085
444 6.215 187 192 0.01063
445 6.220 183 192 0.01085
446 6.225 177 192 0.01132
447 6.230 186 192 0.01063
448 6.235 192 192 0.01041
449 6.240 186 192 0.01063
450 6.245 206 192 0.00961
451 6.250 190 192 0.01041
452 6.255 191 192 0.01041
453 6.260 186 192 0.01063
454 6.265 203 192 0.00980
455 6.270 200 192 0.01000
456 6.275 194 192 0.01020
457 6.280 205 192 0.00980
458 6.285 182 192 0.01085
459 6.290 173 192 0.01156
460 6.295 194 192 0.01020
461 6.300 202 193 0.00980
462 6.305 197 193 0.01000
463 6.310 195 193 0.01020
464 6.315 192 193 0.01041
465 6.320 186 193 0.01063
466 6.325 189 193 0.01041
467 6.330 201 193 0.00980
468 6.335 190 193 0.01041
469 6.340 185 193 0.01063
470 6.345 175 193 0.01132
471 6.350 207 193 0.00961
472 6.355 199 193 0.01000
473 6.360 168 194 0.01181
474 6.365 203 194 0.00980
475 6.370 198 194 0.01000
476 6.375 198 194 0.01000
477 6.380 192 194 0.01041
478 6.385 196 194 0.01020
479 6.390 193 194 0.01041
480 6.395 180 195 0.01108
481 6.400 171 195 0.01156
482 6.405 197 195 0.01020
483 6.410 198 195 0.01000
484 6.415 190 195 0.01041
485 6.420 204 195 0.00980
486 6.425 187 196 0.01063
487 6.430 195 196 0.01020
488 6.435 188 196 0.01063
489 6.440 191 196 0.01041
490 6.445 193 196 0.01041
491 6.450 197 196 0.01020
492 6.455 181 196 0.01108
493 6.460 191 197 0.01041
494 6.465 204 197 0.00980
495 6.470 186 197 0.01085
496 6.475 214 197 0.00925
497 6.480 225 197 0.00890
498 6.485 219 197 0.00907
499 6.490 195 197 0.01020
500 6.495 210 198 0.00943
501 6.500 209 198 0.00961
502 6.505 196 198 0.01020
503 6.510 202 198 0.00980
504 6.515 196 198 0.01020
505 6.520 192 198 0.01041
506 6.525 210 199 0.00943
507 6.530 203 199 0.00980
508 6.535 191 199 0.01041
509 6.540 208 199 0.00961
510 6.545 185 199 0.01085
511 6.550 200 199 0.01000
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1762 12.805 533 544 0.00842
1763 12.810 517 545 0.00873
1764 12.815 512 547 0.00890
1765 12.820 514 550 0.00873
1766 12.825 529 553 0.00857
1767 12.830 539 557 0.00842
1768 12.835 530 561 0.00857
1769 12.840 546 566 0.00826
1770 12.845 519 570 0.00873
1771 12.850 544 573 0.00826
1772 12.855 535 573 0.00842
1773 12.860 539 570 0.00842
1774 12.865 527 565 0.00857
1775 12.870 533 558 0.00857
1776 12.875 518 553 0.00873
1777 12.880 511 550 0.00890
1778 12.885 509 548 0.00890
1779 12.890 529 548 0.00857
1780 12.895 540 549 0.00842
1781 12.900 519 550 0.00873
1782 12.905 513 553 0.00890
1783 12.910 546 556 0.00826
1784 12.915 545 561 0.00826
1785 12.920 563 567 0.00812
1786 12.925 549 574 0.00826
1787 12.930 554 584 0.00812
1788 12.935 566 595 0.00797
1789 12.940 597 609 0.00756
1790 12.945 585 624 0.00769
1791 12.950 604 640 0.00756
1792 12.955 617 655 0.00743
1793 12.960 641 669 0.00706
1794 12.965 667 680 0.00683
1795 12.970 660 689 0.00683
1796 12.975 673 701 0.00672
1797 12.980 702 717 0.00650
1798 12.985 743 741 0.00610
1799 12.990 738 772 0.00620
1800 12.995 787 811 0.00574
1801 13.000 830 853 0.00549
1802 13.005 876 895 0.00518
1803 13.010 903 926 0.00503
1804 13.015 916 937 0.00496
1805 13.020 897 919 0.00510
1806 13.025 877 872 0.00525
1807 13.030 786 804 0.00583
1808 13.035 703 734 0.00650
1809 13.040 679 674 0.00672
1810 13.045 629 628 0.00731
1811 13.050 602 597 0.00756
1812 13.055 564 577 0.00812
1813 13.060 577 565 0.00797
1814 13.065 563 558 0.00812
1815 13.070 550 553 0.00826
1816 13.075 529 550 0.00873
1817 13.080 540 548 0.00842
1818 13.085 522 546 0.00873
1819 13.090 538 545 0.00857
1820 13.095 528 544 0.00873
1821 13.100 530 544 0.00857
1822 13.105 528 543 0.00873
1823 13.110 542 543 0.00842
1824 13.115 519 544 0.00873
1825 13.120 542 544 0.00842
1826 13.125 534 545 0.00857
1827 13.130 533 545 0.00857
1828 13.135 528 547 0.00873
1829 13.140 537 548 0.00857
1830 13.145 543 550 0.00842
1831 13.150 537 552 0.00857
1832 13.155 526 554 0.00873
1833 13.160 538 557 0.00857
1834 13.165 530 559 0.00873
1835 13.170 534 560 0.00857
1836 13.175 537 559 0.00857
1837 13.180 547 557 0.00842
1838 13.185 522 552 0.00873
1839 13.190 538 548 0.00857
1840 13.195 556 544 0.00826
1841 13.200 535 541 0.00857
1842 13.205 529 539 0.00873
1843 13.210 530 539 0.00873
1844 13.215 527 540 0.00873
1845 13.220 542 541 0.00842
1846 13.225 528 544 0.00873
1847 13.230 572 547 0.00812
1848 13.235 570 550 0.00812
1849 13.240 545 554 0.00842
1850 13.245 563 559 0.00812
1851 13.250 567 565 0.00812
1852 13.255 583 573 0.00783
1853 13.260 593 582 0.00783
1854 13.265 608 593 0.00756
1855 13.270 614 606 0.00756
1856 13.275 638 621 0.00718
1857 13.280 641 637 0.00718
1858 13.285 656 649 0.00706
1859 13.290 640 656 0.00718
1860 13.295 637 654 0.00731
1861 13.300 664 641 0.00694
1862 13.305 628 619 0.00731
1863 13.310 610 596 0.00756
1864 13.315 600 574 0.00769
1865 13.320 573 557 0.00812
1866 13.325 564 545 0.00826
1867 13.330 558 537 0.00826
1868 13.335 561 532 0.00826
1869 13.340 543 529 0.00857
1870 13.345 543 528 0.00857
1871 13.350 540 528 0.00857
1872 13.355 550 529 0.00842
1873 13.360 551 530 0.00842
1874 13.365 536 533 0.00857
1875 13.370 558 536 0.00826
1876 13.375 567 540 0.00826
1877 13.380 569 545 0.00812
1878 13.385 578 551 0.00797
1879 13.390 585 558 0.00797
1880 13.395 577 567 0.00812
1881 13.400 611 578 0.00756
1882 13.405 626 591 0.00743
1883 13.410 630 607 0.00731
1884 13.415 644 625 0.00718
1885 13.420 674 644 0.00694
1886 13.425 683 663 0.00683
1887 13.430 696 680 0.00672
1888 13.435 717 690 0.00650
1889 13.440 711 694 0.00661
1890 13.445 722 692 0.00650
1891 13.450 689 689 0.00672
1892 13.455 700 684 0.00661
1893 13.460 698 678 0.00672
1894 13.465 681 667 0.00683
1895 13.470 671 650 0.00694
1896 13.475 652 628 0.00718
1897 13.480 620 605 0.00756
1898 13.485 606 584 0.00769
1899 13.490 579 568 0.00812
1900 13.495 564 555 0.00826
1901 13.500 549 544 0.00842
1902 13.505 542 535 0.00857
1903 13.510 555 528 0.00842
1904 13.515 544 522 0.00857
1905 13.520 536 518 0.00873
1906 13.525 530 516 0.00890
1907 13.530 530 515 0.00890
1908 13.535 514 516 0.00907
1909 13.540 508 517 0.00925
1910 13.545 508 519 0.00925
1911 13.550 517 522 0.00907
1912 13.555 524 526 0.00890
1913 13.560 538 531 0.00873
1914 13.565 551 536 0.00857
1915 13.570 550 543 0.00857
1916 13.575 549 552 0.00857
1917 13.580 573 563 0.00812
1918 13.585 565 576 0.00826
1919 13.590 573 590 0.00826
1920 13.595 601 604 0.00783
1921 13.600 599 615 0.00783
1922 13.605 600 619 0.00783
1923 13.610 594 615 0.00783
1924 13.615 586 600 0.00797
1925 13.620 546 579 0.00857
1926 13.625 533 557 0.00890
1927 13.630 525 537 0.00890
1928 13.635 516 521 0.00907
1929 13.640 497 509 0.00943
1930 13.645 513 502 0.00925
1931 13.650 516 497 0.00907
1932 13.655 496 493 0.00943
1933 13.660 487 491 0.00961
1934 13.665 484 490 0.00980
1935 13.670 494 488 0.00961
1936 13.675 486 487 0.00961
1937 13.680 488 486 0.00961
1938 13.685 464 486 0.01020
1939 13.690 499 485 0.00943
1940 13.695 484 485 0.00980
1941 13.700 492 485 0.00961
1942 13.705 470 484 0.01000
1943 13.710 486 484 0.00980
1944 13.715 464 484 0.01020
1945 13.720 493 485 0.00961
1946 13.725 492 485 0.00961
1947 13.730 486 486 0.00961
1948 13.735 475 487 0.01000
1949 13.740 487 488 0.00961
1950 13.745 493 490 0.00961
1951 13.750 493 492 0.00961
1952 13.755 490 494 0.00961
1953 13.760 503 497 0.00943
1954 13.765 491 501 0.00961
1955 13.770 516 505 0.00925
1956 13.775 509 510 0.00925
1957 13.780 512 515 0.00925
1958 13.785 509 520 0.00925
1959 13.790 520 524 0.00907
1960 13.795 542 528 0.00873
1961 13.800 556 532 0.00857
1962 13.805 568 535 0.00842
1963 13.810 537 540 0.00890
1964 13.815 570 546 0.00842
1965 13.820 554 555 0.00857
1966 13.825 575 568 0.00826
1967 13.830 589 584 0.00812
1968 13.835 603 604 0.00783
1969 13.840 640 629 0.00743
1970 13.845 657 660 0.00731
1971 13.850 701 697 0.00672
1972 13.855 710 736 0.00672
1973 13.860 734 775 0.00650
1974 13.865 748 806 0.00640
1975 13.870 750 820 0.00640
1976 13.875 767 809 0.00620
1977 13.880 751 772 0.00630
1978 13.885 736 718 0.00650
1979 13.890 695 660 0.00683
1980 13.895 635 610 0.00743
1981 13.900 619 572 0.00769
1982 13.905 587 547 0.00812
1983 13.910 571 532 0.00842
1984 13.915 561 525 0.00857
1985 13.920 574 525 0.00842
1986 13.925 564 528 0.00857
1987 13.930 559 535 0.00857
1988 13.935 571 545 0.00842
1989 13.940 582 558 0.00826
1990 13.945 575 575 0.00826
1991 13.950 566 594 0.00842
1992 13.955 585 615 0.00812
1993 13.960 596 635 0.00797
1994 13.965 597 648 0.00797
1995 13.970 608 649 0.00783
1996 13.975 571 635 0.00842
1997 13.980 574 608 0.00826
1998 13.985 559 574 0.00857
1999 13.990 542 541 0.00890
2000 13.995 518 514 0.00925
2001 14.000 495 493 0.00980
2002 14.005 469 479 0.01020
2003 14.010 459 470 0.01041
2004 14.015 470 464 0.01020
2005 14.020 459 461 0.01041
2006 14.025 461 460 0.01041
2007 14.030 450 459 0.01063
2008 14.035 450 459 0.01063
2009 14.040 436 460 0.01108
2010 14.045 481 462 0.01000
2011 14.050 458 464 0.01063
2012 14.055 454 467 0.01063
2013 14.060 467 469 0.01020
2014 14.065 447 470 0.01085
2015 14.070 464 470 0.01041
2016 14.075 463 468 0.01041
2017 14.080 465 463 0.01041
2018 14.085 467 457 0.01020
2019 14.090 444 451 0.01085
2020 14.095 444 446 0.01085
2021 14.100 454 441 0.01063
2022 14.105 434 438 0.01108
2023 14.110 436 436 0.01108
2024 14.115 424 434 0.01132
2025 14.120 439 432 0.01108
2026 14.125 415 431 0.01156
2027 14.130 420 431 0.01156
2028 14.135 416 430 0.01156
2029 14.140 420 429 0.01156
2030 14.145 417 428 0.01156
2031 14.150 428 428 0.01132
2032 14.155 409 428 0.01181
2033 14.160 442 427 0.01108
2034 14.165 419 427 0.01156
2035 14.170 411 427 0.01181
2036 14.175 419 427 0.01156
2037 14.180 423 428 0.01156
2038 14.185 424 429 0.01156
2039 14.190 427 430 0.01132
2040 14.195 417 431 0.01156
2041 14.200 432 434 0.01108
2042 14.205 425 436 0.01132
2043 14.210 450 440 0.01085
2044 14.215 458 444 0.01063
2045 14.220 465 448 0.01041
2046 14.225 441 454 0.01108
2047 14.230 485 461 0.01000
2048 14.235 487 469 0.01000
2049 14.240 483 479 0.01000
2050 14.245 497 490 0.00980
2051 14.250 532 504 0.00907
2052 14.255 533 520 0.00907
2053 14.260 558 537 0.00873
2054 14.265 548 553 0.00890
2055 14.270 557 564 0.00873
2056 14.275 572 568 0.00857
2057 14.280 543 562 0.00907
2058 14.285 551 546 0.00890
2059 14.290 525 524 0.00925
2060 14.295 531 502 0.00925
2061 14.300 491 483 0.01000
2062 14.305 480 469 0.01020
2063 14.310 495 460 0.00980
2064 14.315 496 455 0.00980
2065 14.320 504 453 0.00961
2066 14.325 479 455 0.01020
2067 14.330 487 459 0.01000
2068 14.335 495 465 0.01000
2069 14.340 483 473 0.01020
2070 14.345 500 483 0.00980
2071 14.350 508 494 0.00961
2072 14.355 517 507 0.00943
2073 14.360 530 519 0.00925
2074 14.365 522 528 0.00943
2075 14.370 516 530 0.00943
2076 14.375 524 525 0.00925
2077 14.380 506 512 0.00980
2078 14.385 492 495 0.01000
2079 14.390 465 476 0.01063
2080 14.395 454 460 0.01085
2081 14.400 434 446 0.01132
2082 14.405 446 437 0.01108
2083 14.410 430 429 0.01132
2084 14.415 432 424 0.01132
2085 14.420 427 420 0.01156
2086 14.425 405 416 0.01235
2087 14.430 424 414 0.01156
2088 14.435 407 412 0.01208
2089 14.440 425 411 0.01156
2090 14.445 402 410 0.01235
2091 14.450 394 409 0.01262
2092 14.455 408 408 0.01208
2093 14.460 403 408 0.01235
2094 14.465 398 408 0.01235
2095 14.470 388 408 0.01262
2096 14.475 383 408 0.01291
2097 14.480 419 409 0.01181
2098 14.485 409 410 0.01208
2099 14.490 414 411 0.01208
2100 14.495 416 414 0.01181
2101 14.500 416 416 0.01181
2102 14.505 434 420 0.01132
2103 14.510 438 425 0.01132
2104 14.515 443 430 0.01108
2105 14.520 449 437 0.01108
2106 14.525 446 446 0.01108
2107 14.530 471 456 0.01041
2108 14.535 492 468 0.01020
2109 14.540 502 483 0.00980
2110 14.545 537 500 0.00925
2111 14.550 560 520 0.00890
2112 14.555 582 542 0.00857
2113 14.560 591 565 0.00842
2114 14.565 611 588 0.00812
2115 14.570 617 608 0.00797
2116 14.575 670 623 0.00743
2117 14.580 681 632 0.00731
2118 14.585 661 634 0.00756
2119 14.590 644 631 0.00769
2120 14.595 628 623 0.00797
2121 14.600 596 606 0.00826
2122 14.605 600 582 0.00842
2123 14.610 550 552 0.00907
2124 14.615 541 520 0.00925
2125 14.620 489 490 0.01020
2126 14.625 474 465 0.01041
2127 14.630 457 445 0.01085
2128 14.635 461 432 0.01085
2129 14.640 460 423 0.01085
2130 14.645 424 419 0.01181
2131 14.650 417 417 0.01208
2132 14.655 404 418 0.01235
2133 14.660 419 420 0.01208
2134 14.665 437 425 0.01132
2135 14.670 401 431 0.01235
2136 14.675 437 438 0.01132
2137 14.680 448 447 0.01108
2138 14.685 448 458 0.01108
2139 14.690 483 471 0.01041
2140 14.695 505 487 0.00980
2141 14.700 513 506 0.00961
2142 14.705 557 529 0.00890
2143 14.710 568 556 0.00873
2144 14.715 597 589 0.00842
2145 14.720 621 625 0.00812
2146 14.725 697 661 0.00718
2147 14.730 723 694 0.00694
2148 14.735 786 714 0.00640
2149 14.740 812 714 0.00620
2150 14.745 822 691 0.00610
2151 14.750 730 646 0.00683
2152 14.755 608 591 0.00826
2153 14.760 554 538 0.00907
2154 14.765 492 493 0.01020
2155 14.770 440 459 0.01132
2156 14.775 419 434 0.01181
2157 14.780 418 418 0.01208
2158 14.785 421 408 0.01208
2159 14.790 401 401 0.01235
2160 14.795 392 397 0.01262
2161 14.800 393 394 0.01291
2162 14.805 400 392 0.01262
2163 14.810 391 391 0.01291
2164 14.815 395 391 0.01262
2165 14.820 385 391 0.01291
2166 14.825 394 391 0.01291
2167 14.830 398 392 0.01262
2168 14.835 399 394 0.01262
2169 14.840 403 396 0.01262
2170 14.845 394 399 0.01262
2171 14.850 415 402 0.01208
2172 14.855 399 406 0.01262
2173 14.860 404 410 0.01235
2174 14.865 409 413 0.01235
2175 14.870 430 416 0.01156
2176 14.875 409 418 0.01235
2177 14.880 432 418 0.01181
2178 14.885 402 417 0.01262
2179 14.890 427 418 0.01181
2180 14.895 426 420 0.01181
2181 14.900 431 424 0.01181
2182 14.905 454 430 0.01108
2183 14.910 449 440 0.01108
2184 14.915 460 452 0.01108
2185 14.920 470 468 0.01085
2186 14.925 487 487 0.01041
2187 14.930 520 508 0.00980
2188 14.935 518 530 0.00980
2189 14.940 555 551 0.00907
2190 14.945 596 566 0.00842
2191 14.950 571 571 0.00873
2192 14.955 580 563 0.00873
2193 14.960 548 542 0.00925
2194 14.965 491 513 0.01041
2195 14.970 452 481 0.01132
2196 14.975 422 451 0.01208
2197 14.980 411 426 0.01235
2198 14.985 399 407 0.01291
2199 14.990 388 393 0.01291
2200 14.995 385 384 0.01321
2201 15.000 369 378 0.01384
2202 15.005 374 374 0.01352
2203 15.010 363 371 0.01417
2204 15.015 373 369 0.01352
2205 15.020 366 368 0.01384
2206 15.025 370 367 0.01384
2207 15.030 358 366 0.01417
2208 15.035 380 365 0.01352
2209 15.040 373 364 0.01352
2210 15.045 358 363 0.01452
2211 15.050 370 362 0.01384
2212 15.055 358 360 0.01452
2213 15.060 360 359 0.01417
2214 15.065 354 358 0.01452
2215 15.070 364 357 0.01384
2216 15.075 355 356 0.01452
2217 15.080 355 356 0.01452
2218 15.085 348 355 0.01452
2219 15.090 359 354 0.01452
2220 15.095 355 354 0.01452
2221 15.100 343 354 0.01487
2222 15.105 355 353 0.01452
2223 15.110 355 353 0.01452
2224 15.115 343 353 0.01487
2225 15.120 339 353 0.01487
2226 15.125 348 354 0.01452
2227 15.130 344 354 0.01487
2228 15.135 345 354 0.01487
2229 15.140 350 355 0.01452
2230 15.145 353 356 0.01452
2231 15.150 359 357 0.01417
2232 15.155 364 359 0.01417
2233 15.160 345 361 0.01487
2234 15.165 356 363 0.01452
2235 15.170 363 366 0.01417
2236 15.175 369 369 0.01384
2237 15.180 362 372 0.01417
2238 15.185 379 375 0.01352
2239 15.190 377 377 0.01352
2240 15.195 388 377 0.01321
2241 15.200 367 375 0.01417
2242 15.205 366 373 0.01417
2243 15.210 371 369 0.01384
2244 15.215 379 367 0.01352
2245 15.220 368 366 0.01384
2246 15.225 344 366 0.01487
2247 15.230 370 368 0.01384
2248 15.235 373 371 0.01384
2249 15.240 384 376 0.01352
2250 15.245 383 383 0.01352
2251 15.250 406 391 0.01262
2252 15.255 409 401 0.01262
2253 15.260 443 413 0.01156
2254 15.265 458 427 0.01132
2255 15.270 462 444 0.01108
2256 15.275 491 463 0.01041
2257 15.280 532 482 0.00961
2258 15.285 568 499 0.00907
2259 15.290 598 511 0.00857
2260 15.295 615 513 0.00842
2261 15.300 569 504 0.00907
2262 15.305 504 485 0.01020
2263 15.310 463 458 0.01108
2264 15.315 415 430 0.01262
2265 15.320 387 405 0.01352
2266 15.325 371 385 0.01384
2267 15.330 357 370 0.01452
2268 15.335 356 359 0.01452
2269 15.340 349 352 0.01487
2270 15.345 349 347 0.01487
2271 15.350 342 344 0.01524
2272 15.355 327 343 0.01602
2273 15.360 347 342 0.01487
2274 15.365 340 341 0.01524
2275 15.370 331 341 0.01563
2276 15.375 339 341 0.01524
2277 15.380 344 342 0.01524
2278 15.385 342 344 0.01524
2279 15.390 348 346 0.01487
2280 15.395 342 348 0.01524
2281 15.400 356 351 0.01452
2282 15.405 359 355 0.01452
2283 15.410 361 360 0.01452
2284 15.415 382 366 0.01352
2285 15.420 371 372 0.01384
2286 15.425 383 380 0.01352
2287 15.430 390 387 0.01352
2288 15.435 402 393 0.01291
2289 15.440 392 396 0.01321
2290 15.445 377 395 0.01384
2291 15.450 388 390 0.01352
2292 15.455 380 380 0.01384
2293 15.460 364 369 0.01452
2294 15.465 370 358 0.01417
2295 15.470 356 348 0.01452
2296 15.475 349 340 0.01487
2297 15.480 343 335 0.01524
2298 15.485 360 331 0.01452
2299 15.490 335 328 0.01563
2300 15.495 333 326 0.01563
2301 15.500 329 325 0.01602
2302 15.505 327 324 0.01602
2303 15.510 330 324 0.01602
2304 15.515 322 323 0.01644
2305 15.520 337 323 0.01563
2306 15.525 323 324 0.01602
2307 15.530 338 324 0.01563
2308 15.535 338 325 0.01563
2309 15.540 335 326 0.01563
2310 15.545 338 327 0.01563
2311 15.550 325 329 0.01602
2312 15.555 343 331 0.01524
2313 15.560 353 333 0.01487
2314 15.565 339 336 0.01563
2315 15.570 360 340 0.01452
2316 15.575 356 343 0.01452
2317 15.580 386 346 0.01352
2318 15.585 354 349 0.01487
2319 15.590 353 349 0.01487
2320 15.595 355 347 0.01487
2321 15.600 358 343 0.01487
2322 15.605 353 337 0.01487
2323 15.610 351 331 0.01487
2324 15.615 327 326 0.01602
2325 15.620 332 321 0.01602
2326 15.625 334 317 0.01602
2327 15.630 316 315 0.01687
2328 15.635 317 313 0.01644
2329 15.640 324 311 0.01644
2330 15.645 322 310 0.01644
2331 15.650 327 310 0.01602
2332 15.655 310 309 0.01731
2333 15.660 320 308 0.01644
2334 15.665 316 308 0.01687
2335 15.670 316 307 0.01687
2336 15.675 296 307 0.01778
2337 15.680 296 306 0.01778
2338 15.685 299 306 0.01778
2339 15.690 317 305 0.01687
2340 15.695 308 305 0.01687
2341 15.700 319 304 0.01644
2342 15.705 300 304 0.01778
2343 15.710 304 304 0.01731
2344 15.715 296 303 0.01778
2345 15.720 309 303 0.01687
2346 15.725 291 302 0.01826
2347 15.730 298 302 0.01778
2348 15.735 306 302 0.01731
2349 15.740 289 302 0.01826
2350 15.745 288 302 0.01826
2351 15.750 314 302 0.01687
2352 15.755 291 302 0.01826
2353 15.760 302 302 0.01778
2354 15.765 307 303 0.01731
2355 15.770 318 303 0.01687
2356 15.775 304 303 0.01731
2357 15.780 301 304 0.01778
2358 15.785 305 304 0.01731
2359 15.790 310 305 0.01731
2360 15.795 299 305 0.01778
2361 15.800 301 306 0.01778
2362 15.805 306 306 0.01731
2363 15.810 302 307 0.01778
2364 15.815 304 307 0.01731
2365 15.820 320 308 0.01687
2366 15.825 311 308 0.01731
2367 15.830 297 308 0.01778
2368 15.835 310 309 0.01731
2369 15.840 303 310 0.01778
2370 15.845 307 311 0.01731
2371 15.850 305 312 0.01731
2372 15.855 303 312 0.01778
2373 15.860 307 313 0.01731
2374 15.865 295 314 0.01826
2375 15.870 305 314 0.01731
2376 15.875 312 313 0.01731
2377 15.880 307 312 0.01731
2378 15.885 309 312 0.01731
2379 15.890 323 311 0.01644
2380 15.895 315 310 0.01687
2381 15.900 309 309 0.01731
2382 15.905 296 309 0.01778
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