#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:21:52 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179057 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/19/4301919.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_4301919
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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.231(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6637(7)
_cell_length_b                   14.1217(10)
_cell_length_c                   18.6256(13)
_cell_measurement_temperature    12
_cell_volume                     2335.7(3)
_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      12
_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        37.170
_pd_meas_2theta_range_min        1.500
_pd_meas_number_of_points        7135
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.005
_pd_proc_2theta_range_max        37.17
_pd_proc_2theta_range_min        3.3
_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        0.035
_pd_proc_ls_prof_wR_expected     0.022
_pd_proc_ls_prof_wR_factor       0.042
_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   1.945
_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_002.cif
_cod_data_source_block           12K
_cod_database_code               4301919
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y+1/2, z+1/2'
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 0.9572807 0.283828 0.1835682 1 1.147490
C2 C 4 0.9339499 0.1869139 0.1824843 1 1.147490
C3 C 4 1.006993 0.1454252 0.1396899 1 1.147490
C4 C 4 1.075467 0.2166979 0.1143254 1 1.147490
C5 C 4 1.044743 0.3022355 0.1414437 1 1.147490
C6 C 4 0.895747 0.3591541 0.2250262 1 1.147490
C7 C 4 0.84148 0.1337339 0.2225051 1 1.147490
C8 C 4 1.011377 0.03723204 0.1229661 1 1.147490
C9 C 4 1.170647 0.2030108 0.06396873 1 1.147490
C10 C 4 1.099183 0.4019696 0.1270453 1 1.147490
Fe11 Fe 4 0.84259 0.23896 0.06808 1 3.820820
C12 C 4 0.6347416 0.3073466 0.01525125 1 1.147490
C13 C 4 0.7221796 0.3263236 -0.02678445 1 1.147490
C14 C 4 0.7533902 0.2410677 -0.05411305 1 1.147490
C15 C 4 0.6852414 0.1693995 -0.02896736 1 1.147490
C16 C 4 0.6119126 0.2103621 0.01390214 1 1.147490
C17 C 4 0.5727501 0.3821937 0.05687849 1 1.147490
C18 C 4 0.7761291 0.4263341 -0.04089574 1 1.147490
C19 C 4 0.8487243 0.2280304 -0.1044616 1 1.147490
C20 C 4 0.6902117 0.06133159 -0.04597315 1 1.147490
C21 C 4 0.5196502 0.1566098 0.05374048 1 1.147490
H6a H 4 0.7857392 0.3253543 0.219243 1 1.147490
H6b H 4 0.9885746 0.3598625 0.285598 1 1.147490
H6c H 4 0.8872592 0.4236667 0.1875311 1 1.147490
H7a H 4 0.8043164 0.06850988 0.1844363 1 1.147490
H7b H 4 0.9304471 0.1227619 0.2833628 1 1.147490
H7c H 4 0.751104 0.1877467 0.2164103 1 1.147490
H8a H 4 0.9253883 0.03276186 0.06070058 1 1.147490
H8b H 4 1.133296 0.028004 0.1318007 1 1.147490
H8c H 4 0.9772767 0.005799073 0.169421 1 1.147490
H9a H 4 1.227839 0.133094 0.08724386 1 1.147490
H9b H 4 1.079182 0.2020527 0.002997557 1 1.147490
H9c H 4 1.244622 0.2681765 0.08065925 1 1.147490
H10a H 4 1.121876 0.3879607 0.07288831 1 1.147490
H10b H 4 0.9970878 0.4467859 0.1189385 1 1.147490
H10c H 4 1.201295 0.4127648 0.1833031 1 1.147490
H17a H 4 0.6090639 0.3501034 0.1171848 1 1.147490
H17b H 4 0.6352048 0.447916 0.05183286 1 1.147490
H17c H 4 0.4481228 0.3797831 0.018982 1 1.147490
H18a H 4 0.7238201 0.4731252 -0.009093201 1 1.147490
H18b H 4 0.9026074 0.4174541 -0.01258233 1 1.147490
H18c H 4 0.7244639 0.4301406 -0.106898 1 1.147490
H19a H 4 0.9248358 0.2921489 -0.08617385 1 1.147490
H19b H 4 0.9034737 0.1570739 -0.08268137 1 1.147490
H19c H 4 0.7576307 0.2294299 -0.1655316 1 1.147490
H20a H 4 0.7888077 0.05849389 -0.06417635 1 1.147490
H20b H 4 0.7091731 0.02991842 0.01302967 1 1.147490
H20c H 4 0.5747275 0.05050354 -0.09386648 1 1.147490
H21a H 4 0.5718411 0.08366311 0.06135549 1 1.147490
H21b H 4 0.5473045 0.1999223 0.1087479 1 1.147490
H21c H 4 0.4013192 0.1638221 0.007736043 1 1.147490
C22 C 4 0.33092 0.33663 0.81797 1 2.538820
C23 C 4 0.3631381 0.2538838 0.8052993 1 2.538820
C24 C 4 0.375834 0.4176016 0.7875464 1 2.538820
C25 C 4 0.2468672 0.3561793 0.8637862 1 2.538820
C26 C 4 0.4471909 0.2343345 0.7594831 1 2.538820
C27 C 4 0.3182241 0.1729122 0.8357229 1 2.538820
N28 N 4 0.4149261 0.4831844 0.7613843 1 2.538820
N29 N 4 0.1769237 0.3698324 0.9020814 1 2.538820
N30 N 4 0.5171343 0.2206814 0.7211878 1 2.538820
N31 N 4 0.2791319 0.1073294 0.8618849 1 2.538820
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 70.65 1_555 1_555 1_555 no
C5 C1 C6 126.00 1_555 1_555 1_555 no
C5 C1 Fe11 70.65 1_555 1_555 1_555 no
C6 C1 Fe11 124.30 1_555 1_555 1_555 no
C3 C2 C1 108.00 1_555 1_555 1_555 no
C3 C2 C7 126.01 1_555 1_555 1_555 no
C3 C2 Fe11 70.66 1_555 1_555 1_555 no
C1 C2 C7 125.99 1_555 1_555 1_555 no
C1 C2 Fe11 70.66 1_555 1_555 1_555 no
C7 C2 Fe11 124.30 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 70.66 1_555 1_555 1_555 no
C4 C3 C8 126.00 1_555 1_555 1_555 no
C4 C3 Fe11 70.66 1_555 1_555 1_555 no
C8 C3 Fe11 124.30 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 70.65 1_555 1_555 1_555 no
C5 C4 C9 126.00 1_555 1_555 1_555 no
C5 C4 Fe11 70.65 1_555 1_555 1_555 no
C9 C4 Fe11 124.30 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 70.66 1_555 1_555 1_555 no
C4 C5 C10 126.01 1_555 1_555 1_555 no
C4 C5 Fe11 70.66 1_555 1_555 1_555 no
C10 C5 Fe11 124.31 1_555 1_555 1_555 no
H6a C6 H6b 116.40 1_555 1_555 1_555 no
H6a C6 H6c 116.39 1_555 1_555 1_555 no
H6a C6 C1 101.08 1_555 1_555 1_555 no
H6b C6 H6c 116.40 1_555 1_555 1_555 no
H6b C6 C1 101.08 1_555 1_555 1_555 no
H6c C6 C1 101.08 1_555 1_555 1_555 no
H7a C7 H7b 116.40 1_555 1_555 1_555 no
H7a C7 H7c 116.40 1_555 1_555 1_555 no
H7a C7 C2 101.07 1_555 1_555 1_555 no
H7b C7 H7c 116.41 1_555 1_555 1_555 no
H7b C7 C2 101.08 1_555 1_555 1_555 no
H7c C7 C2 101.08 1_555 1_555 1_555 no
H8c C8 H8a 116.40 1_555 1_555 1_555 no
H8c C8 H8b 116.40 1_555 1_555 1_555 no
H8c C8 C3 101.08 1_555 1_555 1_555 no
H8a C8 H8b 116.39 1_555 1_555 1_555 no
H8a C8 C3 101.08 1_555 1_555 1_555 no
H8b C8 C3 101.08 1_555 1_555 1_555 no
H9a C9 H9b 116.39 1_555 1_555 1_555 no
H9a C9 H9c 116.40 1_555 1_555 1_555 no
H9a C9 C4 101.08 1_555 1_555 1_555 no
H9b C9 H9c 116.40 1_555 1_555 1_555 no
H9b C9 C4 101.08 1_555 1_555 1_555 no
H9c C9 C4 101.08 1_555 1_555 1_555 no
H10b C10 H10c 116.41 1_555 1_555 1_555 no
H10b C10 H10a 116.40 1_555 1_555 1_555 no
H10b C10 C5 101.08 1_555 1_555 1_555 no
H10c C10 H10a 116.38 1_555 1_555 1_555 no
H10c C10 C5 101.09 1_555 1_555 1_555 no
H10a C10 C5 101.08 1_555 1_555 1_555 no
C13 C12 C16 108.00 1_555 1_555 1_555 no
C13 C12 C17 126.01 1_555 1_555 1_555 no
C13 C12 Fe11 70.65 1_555 1_555 1_555 no
C16 C12 C17 126.00 1_555 1_555 1_555 no
C16 C12 Fe11 70.65 1_555 1_555 1_555 no
C17 C12 Fe11 124.30 1_555 1_555 1_555 no
C12 C13 C14 108.01 1_555 1_555 1_555 no
C12 C13 C18 126.00 1_555 1_555 1_555 no
C12 C13 Fe11 70.66 1_555 1_555 1_555 no
C14 C13 C18 125.99 1_555 1_555 1_555 no
C14 C13 Fe11 70.66 1_555 1_555 1_555 no
C18 C13 Fe11 124.30 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 70.65 1_555 1_555 1_555 no
C15 C14 C19 126.00 1_555 1_555 1_555 no
C15 C14 Fe11 70.66 1_555 1_555 1_555 no
C19 C14 Fe11 124.30 1_555 1_555 1_555 no
C14 C15 C16 108.00 1_555 1_555 1_555 no
C14 C15 C20 126.01 1_555 1_555 1_555 no
C14 C15 Fe11 70.65 1_555 1_555 1_555 no
C16 C15 C20 125.99 1_555 1_555 1_555 no
C16 C15 Fe11 70.66 1_555 1_555 1_555 no
C20 C15 Fe11 124.30 1_555 1_555 1_555 no
C12 C16 C15 108.00 1_555 1_555 1_555 no
C12 C16 C21 126.00 1_555 1_555 1_555 no
C12 C16 Fe11 70.65 1_555 1_555 1_555 no
C15 C16 C21 126.00 1_555 1_555 1_555 no
C15 C16 Fe11 70.66 1_555 1_555 1_555 no
C21 C16 Fe11 124.30 1_555 1_555 1_555 no
H17a C17 H17b 116.40 1_555 1_555 1_555 no
H17a C17 H17c 116.40 1_555 1_555 1_555 no
H17a C17 C12 101.08 1_555 1_555 1_555 no
H17b C17 H17c 116.39 1_555 1_555 1_555 no
H17b C17 C12 101.08 1_555 1_555 1_555 no
H17c C17 C12 101.08 1_555 1_555 1_555 no
H18b C18 H18c 116.41 1_555 1_555 1_555 no
H18b C18 H18a 116.39 1_555 1_555 1_555 no
H18b C18 C13 101.08 1_555 1_555 1_555 no
H18c C18 H18a 116.40 1_555 1_555 1_555 no
H18c C18 C13 101.09 1_555 1_555 1_555 no
H18a C18 C13 101.08 1_555 1_555 1_555 no
H19a C19 H19b 116.40 1_555 1_555 1_555 no
H19a C19 H19c 116.40 1_555 1_555 1_555 no
H19a C19 C14 101.08 1_555 1_555 1_555 no
H19b C19 H19c 116.40 1_555 1_555 1_555 no
H19b C19 C14 101.08 1_555 1_555 1_555 no
H19c C19 C14 101.08 1_555 1_555 1_555 no
H20b C20 H20a 116.40 1_555 1_555 1_555 no
H20b C20 H20c 116.40 1_555 1_555 1_555 no
H20b C20 C15 101.08 1_555 1_555 1_555 no
H20a C20 H20c 116.39 1_555 1_555 1_555 no
H20a C20 C15 101.08 1_555 1_555 1_555 no
H20c C20 C15 101.08 1_555 1_555 1_555 no
H21a C21 H21b 116.40 1_555 1_555 1_555 no
H21a C21 H21c 116.39 1_555 1_555 1_555 no
H21a C21 C16 101.08 1_555 1_555 1_555 no
H21b C21 H21c 116.39 1_555 1_555 1_555 no
H21b C21 C16 101.08 1_555 1_555 1_555 no
H21c C21 C16 101.08 1_555 1_555 1_555 no
C23 C22 C24 122.53 1_555 1_555 1_555 no
C23 C22 C25 122.53 1_555 1_555 1_555 no
C24 C22 C25 114.94 1_555 1_555 1_555 no
C22 C23 C26 122.52 1_555 1_555 1_555 no
C22 C23 C27 122.53 1_555 1_555 1_555 no
C26 C23 C27 114.95 1_555 1_555 1_555 no
N28 C24 C22 178.20 1_555 1_555 1_555 no
N29 C25 C22 178.21 1_555 1_555 1_555 no
N30 C26 C23 178.22 1_555 1_555 1_555 no
N31 C27 C23 178.20 1_555 1_555 1_555 no
C13 Fe11 C1 125.62 1_555 1_555 1_555 no
C13 Fe11 C2 159.76 1_555 1_555 1_555 no
C13 Fe11 C3 160.13 1_555 1_555 1_555 no
C13 Fe11 C14 38.69 1_555 1_555 1_555 no
C13 Fe11 C4 125.88 1_555 1_555 1_555 no
C13 Fe11 C5 111.39 1_555 1_555 1_555 no
C13 Fe11 C12 38.69 1_555 1_555 1_555 no
C13 Fe11 C15 64.82 1_555 1_555 1_555 no
C13 Fe11 C16 64.82 1_555 1_555 1_555 no
C1 Fe11 C2 38.69 1_555 1_555 1_555 no
C1 Fe11 C3 64.82 1_555 1_555 1_555 no
C1 Fe11 C14 159.76 1_555 1_555 1_555 no
C1 Fe11 C4 64.82 1_555 1_555 1_555 no
C1 Fe11 C5 38.69 1_555 1_555 1_555 no
C1 Fe11 C12 111.40 1_555 1_555 1_555 no
C1 Fe11 C15 160.13 1_555 1_555 1_555 no
C1 Fe11 C16 125.88 1_555 1_555 1_555 no
C2 Fe11 C3 38.69 1_555 1_555 1_555 no
C2 Fe11 C14 160.13 1_555 1_555 1_555 no
C2 Fe11 C4 64.82 1_555 1_555 1_555 no
C2 Fe11 C5 64.82 1_555 1_555 1_555 no
C2 Fe11 C12 125.63 1_555 1_555 1_555 no
C2 Fe11 C15 125.88 1_555 1_555 1_555 no
C2 Fe11 C16 111.40 1_555 1_555 1_555 no
C3 Fe11 C14 125.88 1_555 1_555 1_555 no
C3 Fe11 C4 38.69 1_555 1_555 1_555 no
C3 Fe11 C5 64.82 1_555 1_555 1_555 no
C3 Fe11 C12 159.76 1_555 1_555 1_555 no
C3 Fe11 C15 111.40 1_555 1_555 1_555 no
C3 Fe11 C16 125.63 1_555 1_555 1_555 no
C14 Fe11 C4 111.40 1_555 1_555 1_555 no
C14 Fe11 C5 125.62 1_555 1_555 1_555 no
C14 Fe11 C12 64.82 1_555 1_555 1_555 no
C14 Fe11 C15 38.69 1_555 1_555 1_555 no
C14 Fe11 C16 64.82 1_555 1_555 1_555 no
C4 Fe11 C5 38.69 1_555 1_555 1_555 no
C4 Fe11 C12 160.13 1_555 1_555 1_555 no
C4 Fe11 C15 125.63 1_555 1_555 1_555 no
C4 Fe11 C16 159.76 1_555 1_555 1_555 no
C5 Fe11 C12 125.88 1_555 1_555 1_555 no
C5 Fe11 C15 159.76 1_555 1_555 1_555 no
C5 Fe11 C16 160.13 1_555 1_555 1_555 no
C12 Fe11 C15 64.82 1_555 1_555 1_555 no
C12 Fe11 C16 38.69 1_555 1_555 1_555 no
C15 Fe11 C16 38.69 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 1.386 1_555 1_555 no
C1 C5 1.386 1_555 1_555 no
C1 C6 1.563 1_555 1_555 no
C1 Fe11 2.092 1_555 1_555 no
C2 C3 1.386 1_555 1_555 no
C2 C1 1.386 1_555 1_555 no
C2 C7 1.563 1_555 1_555 no
C2 Fe11 2.092 1_555 1_555 no
C3 C2 1.386 1_555 1_555 no
C3 C4 1.386 1_555 1_555 no
C3 C8 1.563 1_555 1_555 no
C3 Fe11 2.092 1_555 1_555 no
C4 C3 1.386 1_555 1_555 no
C4 C5 1.386 1_555 1_555 no
C4 C9 1.563 1_555 1_555 no
C4 Fe11 2.092 1_555 1_555 no
C5 C1 1.386 1_555 1_555 no
C5 C4 1.386 1_555 1_555 no
C5 C10 1.563 1_555 1_555 no
C5 Fe11 2.092 1_555 1_555 no
C6 H6a 1.131 1_555 1_555 no
C6 H6b 1.131 1_555 1_555 no
C6 H6c 1.131 1_555 1_555 no
C6 C1 1.563 1_555 1_555 no
C7 H7a 1.131 1_555 1_555 no
C7 H7b 1.131 1_555 1_555 no
C7 H7c 1.131 1_555 1_555 no
C7 C2 1.563 1_555 1_555 no
C8 H8c 1.131 1_555 1_555 no
C8 H8a 1.131 1_555 1_555 no
C8 H8b 1.131 1_555 1_555 no
C8 C3 1.563 1_555 1_555 no
C9 H9a 1.131 1_555 1_555 no
C9 H9b 1.131 1_555 1_555 no
C9 H9c 1.131 1_555 1_555 no
C9 C4 1.563 1_555 1_555 no
C10 H10b 1.131 1_555 1_555 no
C10 H10c 1.131 1_555 1_555 no
C10 H10a 1.131 1_555 1_555 no
C10 C5 1.563 1_555 1_555 no
C12 C13 1.386 1_555 1_555 no
C12 C16 1.386 1_555 1_555 no
C12 C17 1.563 1_555 1_555 no
C12 Fe11 2.092 1_555 1_555 no
C13 C12 1.386 1_555 1_555 no
C13 C14 1.386 1_555 1_555 no
C13 C18 1.563 1_555 1_555 no
C13 Fe11 2.092 1_555 1_555 no
C14 C13 1.386 1_555 1_555 no
C14 C15 1.386 1_555 1_555 no
C14 C19 1.563 1_555 1_555 no
C14 Fe11 2.092 1_555 1_555 no
C15 C14 1.386 1_555 1_555 no
C15 C16 1.386 1_555 1_555 no
C15 C20 1.563 1_555 1_555 no
C15 Fe11 2.092 1_555 1_555 no
C16 C12 1.386 1_555 1_555 no
C16 C15 1.386 1_555 1_555 no
C16 C21 1.563 1_555 1_555 no
C16 Fe11 2.092 1_555 1_555 no
C17 H17a 1.131 1_555 1_555 no
C17 H17b 1.131 1_555 1_555 no
C17 H17c 1.131 1_555 1_555 no
C17 C12 1.563 1_555 1_555 no
C18 H18b 1.131 1_555 1_555 no
C18 H18c 1.131 1_555 1_555 no
C18 H18a 1.131 1_555 1_555 no
C18 C13 1.563 1_555 1_555 no
C19 H19a 1.131 1_555 1_555 no
C19 H19b 1.131 1_555 1_555 no
C19 H19c 1.131 1_555 1_555 no
C19 C14 1.563 1_555 1_555 no
C20 H20b 1.131 1_555 1_555 no
C20 H20a 1.131 1_555 1_555 no
C20 H20c 1.131 1_555 1_555 no
C20 C15 1.563 1_555 1_555 no
C21 H21a 1.131 1_555 1_555 no
C21 H21b 1.131 1_555 1_555 no
C21 H21c 1.131 1_555 1_555 no
C21 C16 1.563 1_555 1_555 no
C22 C23 1.255 1_555 1_555 no
C22 C24 1.418 1_555 1_555 no
C22 C25 1.418 1_555 1_555 no
C23 C22 1.255 1_555 1_555 no
C23 C26 1.418 1_555 1_555 no
C23 C27 1.418 1_555 1_555 no
C24 N28 1.176 1_555 1_555 no
C24 C22 1.418 1_555 1_555 no
C25 N29 1.176 1_555 1_555 no
C25 C22 1.418 1_555 1_555 no
C26 N30 1.176 1_555 1_555 no
C26 C23 1.418 1_555 1_555 no
C27 N31 1.176 1_555 1_555 no
C27 C23 1.418 1_555 1_555 no
H6a C6 1.131 1_555 1_555 no
H6b C6 1.131 1_555 1_555 no
H6c C6 1.131 1_555 1_555 no
H7a C7 1.131 1_555 1_555 no
H7b C7 1.131 1_555 1_555 no
H7c C7 1.131 1_555 1_555 no
H8a C8 1.131 1_555 1_555 no
H8b C8 1.131 1_555 1_555 no
H8c C8 1.131 1_555 1_555 no
H9a C9 1.131 1_555 1_555 no
H9b C9 1.131 1_555 1_555 no
H9c C9 1.131 1_555 1_555 no
H10a C10 1.131 1_555 1_555 no
H10b C10 1.131 1_555 1_555 no
H10c C10 1.131 1_555 1_555 no
H17a C17 1.131 1_555 1_555 no
H17b C17 1.131 1_555 1_555 no
H17c C17 1.131 1_555 1_555 no
H18a C18 1.131 1_555 1_555 no
H18b C18 1.131 1_555 1_555 no
H18c C18 1.131 1_555 1_555 no
H19a C19 1.131 1_555 1_555 no
H19b C19 1.131 1_555 1_555 no
H19c C19 1.131 1_555 1_555 no
H20a C20 1.131 1_555 1_555 no
H20b C20 1.131 1_555 1_555 no
H20c C20 1.131 1_555 1_555 no
H21a C21 1.131 1_555 1_555 no
H21b C21 1.131 1_555 1_555 no
H21c C21 1.131 1_555 1_555 no
N28 C24 1.176 1_555 1_555 no
N29 C25 1.176 1_555 1_555 no
N30 C26 1.176 1_555 1_555 no
N31 C27 1.176 1_555 1_555 no
Fe11 C13 2.092 1_555 1_555 no
Fe11 C1 2.092 1_555 1_555 no
Fe11 C2 2.092 1_555 1_555 no
Fe11 C3 2.092 1_555 1_555 no
Fe11 C14 2.092 1_555 1_555 no
Fe11 C4 2.092 1_555 1_555 no
Fe11 C5 2.092 1_555 1_555 no
Fe11 C12 2.092 1_555 1_555 no
Fe11 C15 2.092 1_555 1_555 no
Fe11 C16 2.092 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 3.300 295 300 0.00890
2 3.305 295 297 0.00873
3 3.310 288 295 0.00907
4 3.315 291 293 0.00890
5 3.320 282 291 0.00925
6 3.325 278 290 0.00943
7 3.330 302 288 0.00857
8 3.335 298 286 0.00873
9 3.340 303 284 0.00857
10 3.345 284 283 0.00907
11 3.350 289 281 0.00907
12 3.355 275 279 0.00943
13 3.360 275 277 0.00943
14 3.365 283 276 0.00925
15 3.370 274 274 0.00943
16 3.375 274 272 0.00943
17 3.380 254 270 0.01020
18 3.385 279 269 0.00943
19 3.390 261 267 0.01000
20 3.395 257 265 0.01000
21 3.400 269 264 0.00980
22 3.405 270 262 0.00961
23 3.410 248 260 0.01041
24 3.415 250 258 0.01041
25 3.420 274 257 0.00943
26 3.425 245 255 0.01063
27 3.430 268 253 0.00980
28 3.435 242 252 0.01085
29 3.440 236 250 0.01108
30 3.445 249 248 0.01041
31 3.450 248 246 0.01041
32 3.455 238 245 0.01085
33 3.460 276 243 0.00943
34 3.465 225 241 0.01156
35 3.470 249 240 0.01041
36 3.475 228 238 0.01132
37 3.480 247 236 0.01063
38 3.485 237 235 0.01085
39 3.490 235 233 0.01108
40 3.495 250 231 0.01041
41 3.500 232 230 0.01132
42 3.505 233 228 0.01108
43 3.510 231 226 0.01132
44 3.515 212 225 0.01235
45 3.520 225 223 0.01156
46 3.525 235 221 0.01108
47 3.530 214 220 0.01208
48 3.535 229 218 0.01132
49 3.540 238 217 0.01085
50 3.545 235 215 0.01108
51 3.550 229 213 0.01132
52 3.555 237 212 0.01085
53 3.560 200 212 0.01291
54 3.565 195 211 0.01321
55 3.570 209 210 0.01235
56 3.575 212 209 0.01235
57 3.580 205 208 0.01262
58 3.585 221 207 0.01181
59 3.590 197 206 0.01321
60 3.595 208 205 0.01262
61 3.600 211 205 0.01235
62 3.605 203 204 0.01291
63 3.610 212 203 0.01235
64 3.615 210 203 0.01235
65 3.620 199 202 0.01291
66 3.625 212 202 0.01235
67 3.630 197 202 0.01321
68 3.635 210 201 0.01235
69 3.640 208 202 0.01262
70 3.645 200 202 0.01321
71 3.650 209 203 0.01262
72 3.655 228 204 0.01156
73 3.660 222 206 0.01181
74 3.665 210 208 0.01235
75 3.670 188 209 0.01384
76 3.675 218 208 0.01208
77 3.680 209 202 0.01235
78 3.685 197 194 0.01321
79 3.690 202 186 0.01291
80 3.695 180 181 0.01452
81 3.700 192 177 0.01352
82 3.705 181 174 0.01452
83 3.710 185 172 0.01417
84 3.715 175 171 0.01487
85 3.720 165 169 0.01563
86 3.725 165 168 0.01563
87 3.730 177 166 0.01487
88 3.735 167 165 0.01563
89 3.740 172 163 0.01524
90 3.745 162 162 0.01644
91 3.750 148 161 0.01778
92 3.755 180 160 0.01452
93 3.760 155 158 0.01644
94 3.765 162 157 0.01602
95 3.770 166 156 0.01731
96 3.775 171 156 0.01524
97 3.780 167 155 0.01563
98 3.785 159 155 0.01644
99 3.790 154 155 0.01687
100 3.795 146 154 0.01778
101 3.800 152 154 0.01731
102 3.805 149 154 0.01778
103 3.810 160 153 0.01602
104 3.815 160 153 0.01644
105 3.820 151 152 0.01731
106 3.825 136 152 0.01929
107 3.830 149 152 0.01731
108 3.835 147 151 0.01778
109 3.840 151 151 0.01731
110 3.845 149 151 0.01731
111 3.850 166 150 0.01563
112 3.855 158 150 0.01644
113 3.860 164 150 0.01602
114 3.865 147 149 0.01778
115 3.870 141 149 0.01826
116 3.875 135 148 0.01929
117 3.880 156 148 0.01687
118 3.885 137 148 0.01929
119 3.890 152 147 0.01731
120 3.895 151 147 0.01731
121 3.900 148 147 0.01778
122 3.905 148 146 0.01778
123 3.910 149 146 0.01778
124 3.915 142 146 0.01826
125 3.920 139 145 0.01877
126 3.925 153 145 0.01731
127 3.930 135 145 0.01929
128 3.935 155 144 0.01687
129 3.940 151 144 0.01731
130 3.945 149 144 0.01778
131 3.950 143 143 0.01826
132 3.955 141 143 0.01877
133 3.960 136 142 0.01929
134 3.965 131 142 0.02041
135 3.970 136 142 0.01929
136 3.975 138 141 0.01929
137 3.980 134 141 0.01929
138 3.985 140 141 0.01877
139 3.990 152 141 0.01731
140 3.995 139 141 0.01877
141 4.000 145 141 0.01778
142 4.005 149 141 0.01731
143 4.010 141 140 0.01826
144 4.015 147 140 0.01778
145 4.020 152 140 0.01731
146 4.025 158 140 0.01644
147 4.030 133 140 0.01984
148 4.035 152 140 0.01731
149 4.040 130 140 0.01984
150 4.045 151 140 0.01731
151 4.050 130 140 0.01984
152 4.055 141 140 0.01877
153 4.060 148 140 0.01778
154 4.065 144 140 0.01826
155 4.070 150 140 0.01731
156 4.075 142 140 0.01826
157 4.080 137 140 0.01929
158 4.085 132 140 0.01984
159 4.090 134 140 0.01929
160 4.095 137 140 0.01929
161 4.100 137 140 0.01929
162 4.105 144 139 0.01826
163 4.110 127 139 0.02041
164 4.115 128 139 0.02041
165 4.120 150 139 0.01731
166 4.125 135 139 0.01929
167 4.130 137 139 0.01929
168 4.135 138 139 0.01877
169 4.140 131 139 0.01984
170 4.145 147 139 0.01778
171 4.150 143 139 0.01826
172 4.155 144 139 0.01826
173 4.160 141 139 0.01877
174 4.165 141 139 0.01877
175 4.170 139 139 0.01877
176 4.175 137 139 0.01929
177 4.180 136 139 0.01929
178 4.185 125 139 0.02100
179 4.190 145 140 0.01778
180 4.195 145 140 0.01826
181 4.200 136 140 0.01929
182 4.205 131 140 0.01984
183 4.210 132 140 0.01984
184 4.215 133 140 0.01984
185 4.220 148 141 0.01778
186 4.225 150 141 0.01731
187 4.230 139 141 0.01877
188 4.235 118 142 0.02228
189 4.240 141 143 0.01877
190 4.245 152 144 0.01731
191 4.250 126 146 0.02100
192 4.255 146 147 0.01778
193 4.260 148 149 0.01778
194 4.265 136 150 0.01929
195 4.270 140 152 0.01877
196 4.275 133 153 0.01984
197 4.280 143 155 0.01826
198 4.285 144 157 0.01826
199 4.290 149 159 0.01778
200 4.295 150 161 0.01731
201 4.300 152 163 0.01731
202 4.305 144 165 0.01826
203 4.310 153 167 0.01731
204 4.315 155 170 0.01687
205 4.320 161 172 0.01644
206 4.325 165 174 0.01602
207 4.330 167 177 0.01563
208 4.335 158 180 0.01644
209 4.340 177 182 0.01487
210 4.345 179 185 0.01487
211 4.350 172 188 0.01524
212 4.355 176 192 0.01487
213 4.360 187 195 0.01417
214 4.365 179 199 0.01487
215 4.370 180 202 0.01452
216 4.375 208 206 0.01262
217 4.380 206 211 0.01262
218 4.385 202 215 0.01291
219 4.390 210 220 0.01262
220 4.395 216 225 0.01208
221 4.400 231 230 0.01132
222 4.405 218 236 0.01208
223 4.410 235 242 0.01108
224 4.415 246 249 0.01063
225 4.420 265 257 0.00980
226 4.425 254 265 0.01041
227 4.430 281 274 0.00925
228 4.435 285 284 0.00925
229 4.440 308 295 0.00857
230 4.445 296 308 0.00890
231 4.450 300 321 0.00873
232 4.455 337 336 0.00783
233 4.460 348 353 0.00756
234 4.465 357 372 0.00743
235 4.470 406 395 0.00650
236 4.475 398 422 0.00661
237 4.480 460 455 0.00574
238 4.485 525 497 0.00503
239 4.490 537 547 0.00489
240 4.495 594 604 0.00444
241 4.500 662 657 0.00401
242 4.505 725 687 0.00363
243 4.510 703 671 0.00376
244 4.515 630 600 0.00416
245 4.520 528 497 0.00503
246 4.525 437 399 0.00601
247 4.530 355 326 0.00743
248 4.535 300 281 0.00873
249 4.540 291 257 0.00907
250 4.545 258 245 0.01020
251 4.550 250 240 0.01063
252 4.555 271 239 0.00980
253 4.560 247 239 0.01063
254 4.565 235 240 0.01132
255 4.570 248 243 0.01063
256 4.575 261 246 0.01020
257 4.580 262 251 0.01000
258 4.585 290 255 0.00907
259 4.590 279 261 0.00943
260 4.595 265 267 0.01000
261 4.600 286 274 0.00925
262 4.605 300 282 0.00873
263 4.610 292 291 0.00907
264 4.615 307 301 0.00857
265 4.620 322 313 0.00826
266 4.625 355 326 0.00743
267 4.630 351 340 0.00756
268 4.635 402 358 0.00650
269 4.640 383 378 0.00694
270 4.645 430 403 0.00610
271 4.650 437 434 0.00610
272 4.655 492 472 0.00533
273 4.660 530 520 0.00496
274 4.665 562 573 0.00469
275 4.670 655 623 0.00401
276 4.675 680 650 0.00386
277 4.680 709 632 0.00372
278 4.685 616 562 0.00427
279 4.690 521 460 0.00503
280 4.695 402 361 0.00661
281 4.700 299 285 0.00890
282 4.705 261 236 0.01000
283 4.710 238 207 0.01108
284 4.715 210 190 0.01262
285 4.720 189 181 0.01384
286 4.725 189 175 0.01417
287 4.730 174 171 0.01524
288 4.735 168 168 0.01602
289 4.740 166 166 0.01602
290 4.745 167 164 0.01602
291 4.750 169 163 0.01563
292 4.755 146 161 0.01826
293 4.760 160 160 0.01644
294 4.765 149 160 0.01778
295 4.770 155 159 0.01731
296 4.775 156 159 0.01687
297 4.780 142 158 0.01877
298 4.785 150 158 0.01778
299 4.790 144 158 0.01826
300 4.795 146 158 0.01826
301 4.800 156 158 0.01687
302 4.805 149 159 0.01778
303 4.810 155 159 0.01731
304 4.815 155 161 0.01731
305 4.820 159 162 0.01644
306 4.825 160 164 0.01644
307 4.830 174 167 0.01524
308 4.835 160 169 0.01644
309 4.840 152 172 0.01731
310 4.845 166 175 0.01602
311 4.850 177 179 0.01487
312 4.855 183 182 0.01452
313 4.860 181 186 0.01452
314 4.865 192 189 0.01384
315 4.870 194 193 0.01352
316 4.875 190 197 0.01384
317 4.880 183 202 0.01452
318 4.885 205 206 0.01291
319 4.890 201 211 0.01321
320 4.895 220 216 0.01208
321 4.900 207 221 0.01291
322 4.905 214 226 0.01235
323 4.910 212 232 0.01262
324 4.915 232 238 0.01156
325 4.920 227 245 0.01181
326 4.925 244 251 0.01085
327 4.930 261 258 0.01020
328 4.935 253 266 0.01041
329 4.940 262 274 0.01020
330 4.945 286 283 0.00925
331 4.950 289 292 0.00925
332 4.955 286 301 0.00925
333 4.960 297 312 0.00890
334 4.965 311 323 0.00857
335 4.970 312 335 0.00857
336 4.975 326 349 0.00812
337 4.980 365 363 0.00731
338 4.985 364 379 0.00731
339 4.990 376 397 0.00706
340 4.995 385 416 0.00683
341 5.000 411 438 0.00650
342 5.005 426 464 0.00630
343 5.010 468 492 0.00565
344 5.015 495 526 0.00533
345 5.020 540 565 0.00489
346 5.025 560 614 0.00476
347 5.030 634 674 0.00416
348 5.035 694 747 0.00381
349 5.040 767 833 0.00346
350 5.045 852 921 0.00312
351 5.050 964 991 0.00277
352 5.055 1080 1010 0.00245
353 5.060 993 953 0.00266
354 5.065 838 822 0.00316
355 5.070 673 655 0.00396
356 5.075 519 501 0.00510
357 5.080 414 384 0.00640
358 5.085 334 308 0.00797
359 5.090 304 264 0.00873
360 5.095 282 240 0.00943
361 5.100 260 228 0.01020
362 5.105 256 223 0.01041
363 5.110 239 221 0.01108
364 5.115 265 223 0.01000
365 5.120 247 225 0.01085
366 5.125 240 229 0.01108
367 5.130 256 234 0.01041
368 5.135 258 240 0.01020
369 5.140 267 247 0.01000
370 5.145 283 255 0.00943
371 5.150 273 263 0.00980
372 5.155 310 272 0.00857
373 5.160 295 281 0.00907
374 5.165 325 291 0.00826
375 5.170 319 301 0.00842
376 5.175 336 312 0.00797
377 5.180 331 324 0.00797
378 5.185 369 336 0.00718
379 5.190 363 350 0.00743
380 5.195 371 364 0.00718
381 5.200 410 379 0.00650
382 5.205 403 395 0.00661
383 5.210 436 412 0.00610
384 5.215 454 430 0.00592
385 5.220 451 449 0.00592
386 5.225 475 470 0.00557
387 5.230 525 493 0.00503
388 5.235 540 518 0.00496
389 5.240 584 545 0.00457
390 5.245 594 575 0.00450
391 5.250 623 608 0.00427
392 5.255 689 645 0.00386
393 5.260 698 686 0.00381
394 5.265 732 731 0.00363
395 5.270 865 782 0.00309
396 5.275 880 840 0.00302
397 5.280 970 905 0.00277
398 5.285 985 981 0.00271
399 5.290 1060 1071 0.00253
400 5.295 1235 1179 0.00214
401 5.300 1278 1313 0.00209
402 5.305 1424 1475 0.00187
403 5.310 1498 1664 0.00178
404 5.315 1657 1859 0.00161
405 5.320 1694 2017 0.00157
406 5.325 1719 2075 0.00155
407 5.330 1729 1974 0.00154
408 5.335 1562 1716 0.00171
409 5.340 1354 1381 0.00198
410 5.345 1220 1066 0.00218
411 5.350 1067 824 0.00250
412 5.355 890 666 0.00302
413 5.360 814 574 0.00330
414 5.365 708 528 0.00376
415 5.370 692 508 0.00386
416 5.375 623 502 0.00427
417 5.380 641 505 0.00416
418 5.385 615 513 0.00439
419 5.390 641 526 0.00416
420 5.395 666 543 0.00401
421 5.400 636 563 0.00422
422 5.405 689 586 0.00391
423 5.410 702 614 0.00381
424 5.415 758 647 0.00354
425 5.420 741 684 0.00363
426 5.425 817 728 0.00327
427 5.430 821 780 0.00327
428 5.435 905 844 0.00295
429 5.440 958 923 0.00280
430 5.445 1073 1021 0.00250
431 5.450 1118 1142 0.00240
432 5.455 1229 1284 0.00218
433 5.460 1312 1432 0.00205
434 5.465 1338 1554 0.00199
435 5.470 1395 1606 0.00192
436 5.475 1361 1550 0.00196
437 5.480 1278 1382 0.00210
438 5.485 1092 1163 0.00245
439 5.490 999 958 0.00268
440 5.495 817 807 0.00327
441 5.500 745 715 0.00363
442 5.505 688 672 0.00391
443 5.510 688 663 0.00391
444 5.515 683 673 0.00391
445 5.520 690 696 0.00391
446 5.525 726 726 0.00367
447 5.530 791 761 0.00338
448 5.535 803 801 0.00334
449 5.540 858 844 0.00312
450 5.545 889 892 0.00302
451 5.550 953 944 0.00283
452 5.555 1014 1000 0.00266
453 5.560 1076 1061 0.00250
454 5.565 1122 1128 0.00240
455 5.570 1203 1201 0.00225
456 5.575 1287 1283 0.00209
457 5.580 1406 1375 0.00192
458 5.585 1514 1479 0.00178
459 5.590 1621 1596 0.00165
460 5.595 1737 1727 0.00155
461 5.600 1888 1871 0.00142
462 5.605 2040 2032 0.00131
463 5.610 2219 2208 0.00121
464 5.615 2438 2404 0.00110
465 5.620 2680 2623 0.00101
466 5.625 3048 2870 0.00089
467 5.630 3282 3153 0.00082
468 5.635 3655 3484 0.00073
469 5.640 4056 3880 0.00066
470 5.645 4564 4357 0.00059
471 5.650 5073 4926 0.00053
472 5.655 5786 5570 0.00046
473 5.660 6185 6223 0.00044
474 5.665 6914 6752 0.00039
475 5.670 7163 6971 0.00038
476 5.675 7076 6718 0.00038
477 5.680 6459 5993 0.00041
478 5.685 5126 5022 0.00053
479 5.690 3726 4091 0.00072
480 5.695 2867 3374 0.00094
481 5.700 2456 2915 0.00110
482 5.705 2381 2675 0.00113
483 5.710 2366 2594 0.00114
484 5.715 2398 2614 0.00113
485 5.720 2537 2696 0.00107
486 5.725 2686 2819 0.00101
487 5.730 2870 2973 0.00095
488 5.735 3063 3158 0.00089
489 5.740 3364 3373 0.00081
490 5.745 3638 3622 0.00074
491 5.750 3861 3913 0.00070
492 5.755 4190 4255 0.00065
493 5.760 4594 4664 0.00059
494 5.765 5187 5163 0.00052
495 5.770 5786 5781 0.00047
496 5.775 6606 6547 0.00041
497 5.780 7460 7464 0.00036
498 5.785 8545 8475 0.00032
499 5.790 9745 9418 0.00028
500 5.795 10585 10016 0.00026
501 5.800 10545 9927 0.00026
502 5.805 9258 8942 0.00029
503 5.810 7159 7244 0.00038
504 5.815 5136 5354 0.00053
505 5.820 3589 3716 0.00075
506 5.825 2477 2507 0.00110
507 5.830 1735 1712 0.00156
508 5.835 1302 1231 0.00209
509 5.840 986 949 0.00274
510 5.845 814 781 0.00334
511 5.850 666 672 0.00406
512 5.855 591 595 0.00457
513 5.860 516 536 0.00525
514 5.865 458 489 0.00592
515 5.870 443 451 0.00610
516 5.875 398 419 0.00672
517 5.880 377 393 0.00718
518 5.885 368 370 0.00731
519 5.890 327 351 0.00826
520 5.895 319 334 0.00842
521 5.900 312 320 0.00873
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1778 12.185 694 700 0.00496
1779 12.190 731 729 0.00469
1780 12.195 743 764 0.00463
1781 12.200 780 803 0.00439
1782 12.205 824 848 0.00416
1783 12.210 875 896 0.00396
1784 12.215 920 946 0.00376
1785 12.220 988 996 0.00350
1786 12.225 1041 1042 0.00330
1787 12.230 1072 1080 0.00323
1788 12.235 1116 1105 0.00309
1789 12.240 1138 1112 0.00305
1790 12.245 1116 1100 0.00309
1791 12.250 1080 1067 0.00319
1792 12.255 1024 1017 0.00338
1793 12.260 952 957 0.00363
1794 12.265 860 891 0.00401
1795 12.270 797 828 0.00433
1796 12.275 733 769 0.00469
1797 12.280 729 719 0.00476
1798 12.285 627 678 0.00549
1799 12.290 591 645 0.00583
1800 12.295 572 621 0.00601
1801 12.300 542 602 0.00640
1802 12.305 541 589 0.00640
1803 12.310 537 579 0.00650
1804 12.315 503 572 0.00683
1805 12.320 509 568 0.00683
1806 12.325 529 565 0.00650
1807 12.330 524 563 0.00661
1808 12.335 524 563 0.00661
1809 12.340 527 565 0.00661
1810 12.345 523 570 0.00661
1811 12.350 522 577 0.00661
1812 12.355 554 586 0.00620
1813 12.360 545 599 0.00640
1814 12.365 583 614 0.00592
1815 12.370 584 633 0.00592
1816 12.375 631 655 0.00549
1817 12.380 631 682 0.00549
1818 12.385 689 713 0.00503
1819 12.390 729 748 0.00476
1820 12.395 750 787 0.00463
1821 12.400 781 831 0.00444
1822 12.405 810 879 0.00427
1823 12.410 864 928 0.00401
1824 12.415 874 977 0.00396
1825 12.420 929 1024 0.00372
1826 12.425 981 1065 0.00354
1827 12.430 986 1096 0.00354
1828 12.435 1061 1116 0.00327
1829 12.440 1046 1120 0.00330
1830 12.445 1053 1109 0.00330
1831 12.450 1022 1080 0.00342
1832 12.455 1056 1037 0.00330
1833 12.460 1006 981 0.00346
1834 12.465 989 919 0.00350
1835 12.470 951 855 0.00367
1836 12.475 891 792 0.00391
1837 12.480 809 735 0.00433
1838 12.485 717 684 0.00489
1839 12.490 643 640 0.00541
1840 12.495 624 603 0.00557
1841 12.500 588 574 0.00592
1842 12.505 538 550 0.00650
1843 12.510 545 532 0.00640
1844 12.515 527 518 0.00661
1845 12.520 518 508 0.00672
1846 12.525 473 500 0.00743
1847 12.530 490 493 0.00718
1848 12.535 481 488 0.00731
1849 12.540 476 484 0.00731
1850 12.545 461 481 0.00756
1851 12.550 451 479 0.00769
1852 12.555 469 477 0.00743
1853 12.560 449 475 0.00783
1854 12.565 447 474 0.00783
1855 12.570 476 473 0.00731
1856 12.575 476 473 0.00731
1857 12.580 462 472 0.00756
1858 12.585 447 473 0.00783
1859 12.590 451 475 0.00783
1860 12.595 463 477 0.00756
1861 12.600 441 480 0.00797
1862 12.605 469 484 0.00743
1863 12.610 477 488 0.00731
1864 12.615 443 493 0.00797
1865 12.620 462 499 0.00756
1866 12.625 504 506 0.00694
1867 12.630 492 514 0.00718
1868 12.635 518 523 0.00683
1869 12.640 495 533 0.00706
1870 12.645 524 544 0.00672
1871 12.650 511 555 0.00694
1872 12.655 537 565 0.00661
1873 12.660 532 574 0.00661
1874 12.665 539 581 0.00650
1875 12.670 541 585 0.00650
1876 12.675 548 585 0.00640
1877 12.680 572 582 0.00620
1878 12.685 560 574 0.00630
1879 12.690 551 564 0.00640
1880 12.695 562 551 0.00630
1881 12.700 545 539 0.00640
1882 12.705 500 527 0.00706
1883 12.710 530 517 0.00661
1884 12.715 520 509 0.00683
1885 12.720 514 503 0.00683
1886 12.725 508 500 0.00694
1887 12.730 532 499 0.00661
1888 12.735 517 501 0.00683
1889 12.740 512 504 0.00694
1890 12.745 507 510 0.00706
1891 12.750 522 518 0.00672
1892 12.755 525 527 0.00672
1893 12.760 536 537 0.00661
1894 12.765 543 548 0.00650
1895 12.770 559 560 0.00630
1896 12.775 569 571 0.00620
1897 12.780 549 581 0.00640
1898 12.785 582 589 0.00610
1899 12.790 570 594 0.00620
1900 12.795 572 595 0.00620
1901 12.800 547 592 0.00650
1902 12.805 553 584 0.00640
1903 12.810 556 573 0.00640
1904 12.815 558 560 0.00640
1905 12.820 513 546 0.00694
1906 12.825 513 533 0.00694
1907 12.830 508 521 0.00694
1908 12.835 494 511 0.00718
1909 12.840 507 503 0.00694
1910 12.845 513 498 0.00694
1911 12.850 496 496 0.00718
1912 12.855 500 496 0.00718
1913 12.860 484 497 0.00743
1914 12.865 491 501 0.00718
1915 12.870 492 506 0.00731
1916 12.875 520 511 0.00683
1917 12.880 516 518 0.00694
1918 12.885 509 525 0.00694
1919 12.890 526 532 0.00672
1920 12.895 521 539 0.00683
1921 12.900 539 548 0.00661
1922 12.905 565 556 0.00630
1923 12.910 547 567 0.00650
1924 12.915 553 578 0.00640
1925 12.920 581 592 0.00620
1926 12.925 631 607 0.00565
1927 12.930 594 624 0.00601
1928 12.935 629 641 0.00565
1929 12.940 619 657 0.00574
1930 12.945 663 671 0.00541
1931 12.950 682 681 0.00525
1932 12.955 649 686 0.00549
1933 12.960 640 686 0.00557
1934 12.965 661 678 0.00541
1935 12.970 653 665 0.00549
1936 12.975 635 648 0.00565
1937 12.980 614 629 0.00583
1938 12.985 607 609 0.00592
1939 12.990 601 590 0.00592
1940 12.995 585 574 0.00610
1941 13.000 565 560 0.00640
1942 13.005 559 549 0.00640
1943 13.010 538 541 0.00672
1944 13.015 544 534 0.00661
1945 13.020 547 528 0.00661
1946 13.025 538 523 0.00661
1947 13.030 551 519 0.00650
1948 13.035 515 514 0.00694
1949 13.040 518 510 0.00694
1950 13.045 551 507 0.00650
1951 13.050 508 505 0.00706
1952 13.055 526 504 0.00683
1953 13.060 524 505 0.00683
1954 13.065 524 507 0.00683
1955 13.070 545 511 0.00661
1956 13.075 550 517 0.00650
1957 13.080 554 523 0.00650
1958 13.085 542 531 0.00661
1959 13.090 559 540 0.00640
1960 13.095 559 548 0.00640
1961 13.100 545 557 0.00661
1962 13.105 617 565 0.00583
1963 13.110 594 572 0.00610
1964 13.115 609 578 0.00592
1965 13.120 599 582 0.00601
1966 13.125 593 585 0.00610
1967 13.130 609 585 0.00592
1968 13.135 613 583 0.00592
1969 13.140 572 579 0.00630
1970 13.145 571 575 0.00630
1971 13.150 577 572 0.00630
1972 13.155 593 570 0.00610
1973 13.160 572 570 0.00630
1974 13.165 583 573 0.00620
1975 13.170 592 581 0.00610
1976 13.175 580 592 0.00620
1977 13.180 611 607 0.00592
1978 13.185 625 625 0.00583
1979 13.190 661 648 0.00549
1980 13.195 678 674 0.00533
1981 13.200 729 704 0.00496
1982 13.205 751 737 0.00482
1983 13.210 793 773 0.00457
1984 13.215 828 812 0.00439
1985 13.220 868 853 0.00416
1986 13.225 898 894 0.00406
1987 13.230 965 934 0.00376
1988 13.235 1009 969 0.00359
1989 13.240 1029 996 0.00354
1990 13.245 1082 1012 0.00334
1991 13.250 1084 1015 0.00334
1992 13.255 1090 1003 0.00334
1993 13.260 1062 976 0.00342
1994 13.265 1016 937 0.00359
1995 13.270 946 890 0.00381
1996 13.275 891 839 0.00406
1997 13.280 846 788 0.00427
1998 13.285 771 738 0.00469
1999 13.290 728 694 0.00496
2000 13.295 716 655 0.00510
2001 13.300 649 623 0.00557
2002 13.305 637 598 0.00574
2003 13.310 623 580 0.00583
2004 13.315 576 569 0.00630
2005 13.320 591 564 0.00620
2006 13.325 579 565 0.00630
2007 13.330 579 570 0.00630
2008 13.335 586 579 0.00620
2009 13.340 580 591 0.00630
2010 13.345 622 606 0.00583
2011 13.350 607 622 0.00601
2012 13.355 610 638 0.00601
2013 13.360 602 654 0.00610
2014 13.365 641 667 0.00565
2015 13.370 659 677 0.00557
2016 13.375 640 683 0.00574
2017 13.380 658 683 0.00557
2018 13.385 668 679 0.00549
2019 13.390 664 670 0.00549
2020 13.395 655 657 0.00557
2021 13.400 624 641 0.00583
2022 13.405 633 623 0.00574
2023 13.410 618 602 0.00592
2024 13.415 603 581 0.00610
2025 13.420 560 560 0.00650
2026 13.425 548 539 0.00672
2027 13.430 536 521 0.00683
2028 13.435 513 504 0.00718
2029 13.440 521 490 0.00706
2030 13.445 476 479 0.00769
2031 13.450 455 469 0.00812
2032 13.455 484 462 0.00756
2033 13.460 458 456 0.00797
2034 13.465 449 452 0.00812
2035 13.470 451 449 0.00812
2036 13.475 446 447 0.00826
2037 13.480 464 445 0.00797
2038 13.485 441 444 0.00826
2039 13.490 434 443 0.00842
2040 13.495 430 442 0.00857
2041 13.500 417 442 0.00873
2042 13.505 439 442 0.00842
2043 13.510 435 442 0.00842
2044 13.515 419 442 0.00873
2045 13.520 423 442 0.00873
2046 13.525 439 442 0.00842
2047 13.530 432 442 0.00857
2048 13.535 424 443 0.00873
2049 13.540 427 443 0.00857
2050 13.545 428 444 0.00857
2051 13.550 438 444 0.00842
2052 13.555 450 444 0.00812
2053 13.560 445 444 0.00826
2054 13.565 427 444 0.00873
2055 13.570 429 443 0.00857
2056 13.575 438 442 0.00842
2057 13.580 436 441 0.00842
2058 13.585 420 440 0.00873
2059 13.590 438 439 0.00842
2060 13.595 438 439 0.00842
2061 13.600 439 439 0.00842
2062 13.605 431 439 0.00857
2063 13.610 429 441 0.00857
2064 13.615 443 442 0.00842
2065 13.620 441 445 0.00842
2066 13.625 455 448 0.00812
2067 13.630 449 453 0.00826
2068 13.635 466 458 0.00797
2069 13.640 465 465 0.00797
2070 13.645 463 473 0.00797
2071 13.650 485 483 0.00769
2072 13.655 506 494 0.00731
2073 13.660 504 507 0.00731
2074 13.665 531 521 0.00694
2075 13.670 548 536 0.00672
2076 13.675 543 553 0.00683
2077 13.680 597 570 0.00620
2078 13.685 612 587 0.00610
2079 13.690 600 604 0.00620
2080 13.695 617 619 0.00601
2081 13.700 632 631 0.00583
2082 13.705 611 640 0.00610
2083 13.710 651 646 0.00574
2084 13.715 640 648 0.00583
2085 13.720 630 645 0.00592
2086 13.725 608 638 0.00610
2087 13.730 615 628 0.00601
2088 13.735 650 614 0.00574
2089 13.740 568 598 0.00650
2090 13.745 583 581 0.00640
2091 13.750 558 564 0.00672
2092 13.755 556 550 0.00672
2093 13.760 575 537 0.00650
2094 13.765 545 527 0.00683
2095 13.770 527 521 0.00706
2096 13.775 549 517 0.00672
2097 13.780 524 514 0.00706
2098 13.785 512 514 0.00731
2099 13.790 497 514 0.00743
2100 13.795 527 513 0.00706
2101 13.800 503 511 0.00743
2102 13.805 501 507 0.00743
2103 13.810 488 501 0.00769
2104 13.815 476 494 0.00783
2105 13.820 450 484 0.00826
2106 13.825 470 474 0.00797
2107 13.830 452 463 0.00826
2108 13.835 426 453 0.00873
2109 13.840 434 443 0.00857
2110 13.845 432 434 0.00857
2111 13.850 428 427 0.00873
2112 13.855 425 420 0.00873
2113 13.860 410 414 0.00907
2114 13.865 395 409 0.00943
2115 13.870 403 405 0.00925
2116 13.875 385 401 0.00980
2117 13.880 415 398 0.00907
2118 13.885 376 395 0.01000
2119 13.890 391 392 0.00961
2120 13.895 372 389 0.01000
2121 13.900 398 387 0.00943
2122 13.905 383 385 0.00980
2123 13.910 376 383 0.01000
2124 13.915 378 382 0.01000
2125 13.920 374 381 0.01000
2126 13.925 366 379 0.01020
2127 13.930 385 378 0.00980
2128 13.935 381 378 0.01000
2129 13.940 375 377 0.01000
2130 13.945 367 376 0.01020
2131 13.950 363 376 0.01041
2132 13.955 368 376 0.01020
2133 13.960 375 377 0.01000
2134 13.965 366 377 0.01020
2135 13.970 348 378 0.01085
2136 13.975 354 378 0.01063
2137 13.980 362 379 0.01041
2138 13.985 369 380 0.01020
2139 13.990 374 381 0.01020
2140 13.995 380 382 0.01000
2141 14.000 382 384 0.01000
2142 14.005 367 386 0.01020
2143 14.010 392 388 0.00961
2144 14.015 397 391 0.00943
2145 14.020 377 394 0.01000
2146 14.025 371 398 0.01020
2147 14.030 403 402 0.00943
2148 14.035 420 408 0.00890
2149 14.040 414 414 0.00907
2150 14.045 443 422 0.00857
2151 14.050 440 430 0.00857
2152 14.055 470 440 0.00812
2153 14.060 488 451 0.00783
2154 14.065 513 463 0.00743
2155 14.070 520 476 0.00731
2156 14.075 528 491 0.00718
2157 14.080 550 507 0.00683
2158 14.085 580 524 0.00650
2159 14.090 583 544 0.00650
2160 14.095 583 565 0.00650
2161 14.100 623 587 0.00610
2162 14.105 651 611 0.00583
2163 14.110 664 636 0.00574
2164 14.115 697 660 0.00549
2165 14.120 691 683 0.00549
2166 14.125 691 703 0.00549
2167 14.130 721 718 0.00525
2168 14.135 729 729 0.00518
2169 14.140 764 733 0.00496
2170 14.145 754 732 0.00503
2171 14.150 768 725 0.00496
2172 14.155 744 714 0.00510
2173 14.160 741 699 0.00510
2174 14.165 697 680 0.00549
2175 14.170 686 658 0.00557
2176 14.175 637 633 0.00601
2177 14.180 613 606 0.00620
2178 14.185 598 579 0.00640
2179 14.190 580 552 0.00661
2180 14.195 553 527 0.00694
2181 14.200 538 505 0.00706
2182 14.205 506 486 0.00756
2183 14.210 524 471 0.00731
2184 14.215 485 461 0.00783
2185 14.220 502 454 0.00756
2186 14.225 473 452 0.00812
2187 14.230 491 453 0.00769
2188 14.235 483 458 0.00797
2189 14.240 497 466 0.00769
2190 14.245 501 478 0.00756
2191 14.250 534 492 0.00718
2192 14.255 500 509 0.00769
2193 14.260 547 527 0.00694
2194 14.265 555 548 0.00683
2195 14.270 565 568 0.00672
2196 14.275 571 589 0.00672
2197 14.280 616 608 0.00620
2198 14.285 622 623 0.00620
2199 14.290 637 635 0.00601
2200 14.295 637 640 0.00601
2201 14.300 640 640 0.00601
2202 14.305 625 633 0.00610
2203 14.310 630 621 0.00610
2204 14.315 623 604 0.00610
2205 14.320 601 586 0.00640
2206 14.325 588 567 0.00650
2207 14.330 564 549 0.00683
2208 14.335 537 534 0.00718
2209 14.340 540 522 0.00706
2210 14.345 539 514 0.00718
2211 14.350 532 509 0.00718
2212 14.355 507 508 0.00756
2213 14.360 523 509 0.00731
2214 14.365 534 512 0.00718
2215 14.370 523 517 0.00731
2216 14.375 522 523 0.00743
2217 14.380 517 530 0.00743
2218 14.385 521 537 0.00743
2219 14.390 539 545 0.00718
2220 14.395 543 552 0.00706
2221 14.400 548 557 0.00706
2222 14.405 529 561 0.00731
2223 14.410 563 562 0.00683
2224 14.415 547 561 0.00706
2225 14.420 549 557 0.00706
2226 14.425 575 550 0.00672
2227 14.430 560 542 0.00683
2228 14.435 572 535 0.00672
2229 14.440 588 528 0.00661
2230 14.445 552 523 0.00694
2231 14.450 556 521 0.00694
2232 14.455 567 521 0.00683
2233 14.460 558 524 0.00694
2234 14.465 558 530 0.00694
2235 14.470 556 537 0.00694
2236 14.475 533 545 0.00718
2237 14.480 554 552 0.00694
2238 14.485 550 558 0.00706
2239 14.490 546 562 0.00706
2240 14.495 507 561 0.00756
2241 14.500 538 557 0.00718
2242 14.505 516 549 0.00743
2243 14.510 526 537 0.00731
2244 14.515 498 523 0.00783
2245 14.520 490 507 0.00797
2246 14.525 486 491 0.00797
2247 14.530 492 476 0.00783
2248 14.535 479 461 0.00812
2249 14.540 466 449 0.00826
2250 14.545 462 438 0.00842
2251 14.550 460 430 0.00842
2252 14.555 451 424 0.00857
2253 14.560 434 419 0.00890
2254 14.565 440 417 0.00873
2255 14.570 424 416 0.00907
2256 14.575 427 417 0.00907
2257 14.580 447 418 0.00873
2258 14.585 440 422 0.00890
2259 14.590 438 428 0.00890
2260 14.595 438 435 0.00890
2261 14.600 459 444 0.00842
2262 14.605 482 455 0.00812
2263 14.610 484 468 0.00797
2264 14.615 470 482 0.00826
2265 14.620 489 497 0.00797
2266 14.625 503 513 0.00783
2267 14.630 536 529 0.00731
2268 14.635 529 545 0.00743
2269 14.640 579 560 0.00672
2270 14.645 559 572 0.00694
2271 14.650 553 582 0.00706
2272 14.655 556 588 0.00706
2273 14.660 589 590 0.00661
2274 14.665 580 588 0.00672
2275 14.670 606 582 0.00640
2276 14.675 572 574 0.00683
2277 14.680 575 564 0.00672
2278 14.685 566 554 0.00694
2279 14.690 567 544 0.00694
2280 14.695 570 534 0.00683
2281 14.700 552 525 0.00706
2282 14.705 558 516 0.00706
2283 14.710 525 506 0.00743
2284 14.715 519 497 0.00756
2285 14.720 523 486 0.00756
2286 14.725 482 474 0.00812
2287 14.730 509 462 0.00769
2288 14.735 475 449 0.00826
2289 14.740 458 437 0.00857
2290 14.745 436 425 0.00907
2291 14.750 422 413 0.00925
2292 14.755 422 403 0.00925
2293 14.760 393 394 0.01000
2294 14.765 378 386 0.01041
2295 14.770 388 380 0.01020
2296 14.775 385 375 0.01020
2297 14.780 365 371 0.01063
2298 14.785 377 369 0.01041
2299 14.790 373 368 0.01041
2300 14.795 360 367 0.01085
2301 14.800 356 367 0.01108
2302 14.805 350 368 0.01132
2303 14.810 351 369 0.01108
2304 14.815 342 370 0.01156
2305 14.820 356 371 0.01108
2306 14.825 343 372 0.01156
2307 14.830 350 373 0.01132
2308 14.835 363 373 0.01085
2309 14.840 353 372 0.01108
2310 14.845 343 372 0.01156
2311 14.850 369 372 0.01063
2312 14.855 370 373 0.01063
2313 14.860 366 375 0.01085
2314 14.865 369 379 0.01063
2315 14.870 356 384 0.01108
2316 14.875 374 390 0.01063
2317 14.880 393 399 0.01000
2318 14.885 381 408 0.01041
2319 14.890 401 419 0.00980
2320 14.895 406 430 0.00980
2321 14.900 405 442 0.00980
2322 14.905 421 453 0.00943
2323 14.910 407 463 0.00980
2324 14.915 417 471 0.00943
2325 14.920 425 477 0.00925
2326 14.925 429 479 0.00925
2327 14.930 427 478 0.00925
2328 14.935 441 475 0.00890
2329 14.940 432 469 0.00907
2330 14.945 454 461 0.00873
2331 14.950 442 452 0.00890
2332 14.955 429 443 0.00925
2333 14.960 416 434 0.00961
2334 14.965 418 425 0.00943
2335 14.970 399 418 0.01000
2336 14.975 409 410 0.00961
2337 14.980 413 403 0.00961
2338 14.985 376 397 0.01063
2339 14.990 391 390 0.01020
2340 14.995 382 385 0.01041
2341 15.000 400 380 0.01000
2342 15.005 373 376 0.01063
2343 15.010 380 373 0.01041
2344 15.015 378 372 0.01041
2345 15.020 361 374 0.01108
2346 15.025 398 377 0.01000
2347 15.030 370 383 0.01085
2348 15.035 405 392 0.00980
2349 15.040 383 403 0.01041
2350 15.045 429 417 0.00925
2351 15.050 423 434 0.00943
2352 15.055 430 454 0.00925
2353 15.060 464 476 0.00857
2354 15.065 474 500 0.00842
2355 15.070 476 525 0.00842
2356 15.075 500 551 0.00797
2357 15.080 529 575 0.00756
2358 15.085 561 596 0.00718
2359 15.090 578 614 0.00694
2360 15.095 595 626 0.00672
2361 15.100 593 631 0.00672
2362 15.105 624 628 0.00640
2363 15.110 635 618 0.00630
2364 15.115 619 601 0.00650
2365 15.120 624 579 0.00640
2366 15.125 563 553 0.00706
2367 15.130 555 525 0.00718
2368 15.135 513 497 0.00783
2369 15.140 486 470 0.00826
2370 15.145 454 446 0.00873
2371 15.150 435 425 0.00925
2372 15.155 406 408 0.00980
2373 15.160 378 394 0.01063
2374 15.165 401 384 0.01000
2375 15.170 384 377 0.01041
2376 15.175 380 373 0.01063
2377 15.180 362 371 0.01108
2378 15.185 385 371 0.01041
2379 15.190 381 373 0.01063
2380 15.195 372 376 0.01085
2381 15.200 371 380 0.01085
2382 15.205 381 385 0.01063
2383 15.210 382 391 0.01063
2384 15.215 383 397 0.01041
2385 15.220 379 404 0.01063
2386 15.225 412 411 0.00980
2387 15.230 428 417 0.00943
2388 15.235 407 423 0.00980
2389 15.240 395 427 0.01020
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6761 37.100 176 182 0.09183
6762 37.105 170 182 0.09183
6763 37.110 174 182 0.09183
6764 37.115 172 182 0.09183
6765 37.120 176 182 0.09183
6766 37.125 175 182 0.09183
6767 37.130 178 182 0.09183
6768 37.135 178 182 0.09183
6769 37.140 168 182 0.09766
6770 37.145 177 182 0.09183
6771 37.150 178 183 0.09183
6772 37.155 180 183 0.09183
6773 37.160 182 183 0.08651
6774 37.165 175 183 0.09183
6775 37.170 182 183 0.08651
