#------------------------------------------------------------------------------
#$Date: 2019-11-26 06:06:31 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242788 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/29/4132924.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_4132924
loop_
_publ_author_name
'Pang, Jiandong'
'Yuan, Shuai'
'Qin, Junsheng'
'Wu, Mingyan'
'Lollar, Christina T.'
'Li, Jialuo'
'Huang, Ning'
'Li, Bao'
'Zhang, Peng'
'Zhou, Hong-Cai'
_publ_section_title
;
 Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward
 Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.
;
_journal_issue                   39
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12328
_journal_page_last               12332
_journal_paper_doi               10.1021/jacs.8b07411
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         '0.25(C200 H96 O72 Zr12)'
_chemical_formula_sum            'C50 H24 O18 Zr3'
_chemical_formula_weight         1186.35
_space_group_crystal_system      orthorhombic
_space_group_IT_number           65
_space_group_name_Hall           '-C 2 2'
_space_group_name_H-M_alt        'C m m m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2018-06-19
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.1272(7)
_cell_length_b                   34.0179(10)
_cell_length_c                   15.0243(5)
_cell_measurement_reflns_used    9910
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      67.1998
_cell_measurement_theta_min      3.7412
_cell_volume                     11820.2(6)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28676
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.270
_diffrn_reflns_theta_max         67.270
_diffrn_reflns_theta_min         3.741
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    2.399
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    0.667
_exptl_crystal_description       block
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         5.001
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         5730
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.099
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0745
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1343P)²+43.7921P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2034
_refine_ls_wR_factor_ref         0.2164
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4780
_reflns_number_total             5730
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja8b07411_si_002.cif
_cod_data_source_block           PCN-606-TPDC
_cod_database_code               4132924
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.795
_shelx_estimated_absorpt_t_min   0.795
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C14) \\sim Ueq, Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C17) = Uanis(C18) = Uanis(C16) = Uanis(C15) = Uanis(C14) = Uanis(C13) =
Uanis(C12)
3. Others
 Fixed Sof: C18(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C14(H14), C15(H15)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x, -y, -z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, y, -z'
'-x, y, z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Zr1 Zr 0.0000 0.07189(2) 0.0000 0.0289(2) Uani 1 4 d S T P
Zr2 Zr 0.07667(2) 0.0000 0.11688(3) 0.0315(2) Uani 1 2 d S T P
O1 O 0.05770(15) 0.10483(8) 0.0891(2) 0.0441(7) Uani 1 1 d . . .
O2 O 0.10822(16) 0.05896(10) 0.1639(3) 0.0586(9) Uani 1 1 d . . .
O3 O 0.2500 0.2500 0.1745(4) 0.141(4) Uani 1 2 d S T P
O4 O 0.1680(2) 0.0000 0.0833(5) 0.0724(16) Uani 1 2 d S T P
O5 O 0.0744(3) 0.03535(15) 0.0000 0.0633(16) Uani 1 2 d S T P
O6 O 0.0000 0.03451(18) 0.1195(4) 0.078(2) Uani 1 2 d S T P
O7 O 0.0731(3) 0.0000 0.2622(3) 0.0657(15) Uani 1 2 d S T P
C1 C 0.0965(2) 0.09382(14) 0.1429(3) 0.0503(12) Uani 1 1 d . . .
C2 C 0.1295(3) 0.12619(15) 0.1865(4) 0.0622(14) Uani 1 1 d . . .
C3 C 0.1194(4) 0.16484(17) 0.1616(5) 0.095(3) Uani 1 1 d . . .
H3 H 0.0911 0.1708 0.1180 0.114 Uiso 1 1 calc R . .
C4 C 0.1512(4) 0.19463(18) 0.2013(5) 0.112(3) Uani 1 1 d . . .
H4 H 0.1444 0.2211 0.1842 0.135 Uiso 1 1 calc R . .
C5 C 0.1923(3) 0.18677(17) 0.2647(4) 0.082(2) Uani 1 1 d . . .
C6 C 0.2029(3) 0.14861(17) 0.2880(4) 0.079(2) Uani 1 1 d . . .
H6 H 0.2321 0.1428 0.3304 0.095 Uiso 1 1 calc R . .
C7 C 0.1708(3) 0.11809(16) 0.2497(4) 0.0717(17) Uani 1 1 d . . .
H7 H 0.1775 0.0917 0.2675 0.086 Uiso 1 1 calc R . .
C8 C 0.2500 0.2500 0.4507(5) 0.073(3) Uani 1 2 d S T P
C9 C 0.2249(3) 0.21957(17) 0.4023(4) 0.086(2) Uani 1 1 d . . .
H9 H 0.2077 0.1983 0.4334 0.103 Uiso 1 1 calc R . .
C10 C 0.2243(4) 0.21932(18) 0.3102(4) 0.086(2) Uani 1 1 d . . .
C11 C 0.2500 0.2500 0.2636(5) 0.093(4) Uani 1 2 d S T P
C12 C 0.1901(10) 0.0000 0.0000 0.162(3) Uani 1 4 d S T P
C13 C 0.2546(10) 0.0000 0.0000 0.162(3) Uani 1 4 d S T P
C14 C 0.2855(7) 0.0000 0.0804(13) 0.162(3) Uani 1 2 d S TU P
H14 H 0.2649 0.0000 0.1351 0.195 Uiso 1 2 calc RS T P
C15 C 0.3449(7) 0.0000 0.0817(14) 0.162(3) Uani 1 2 d S TU P
H15 H 0.3659 0.0000 0.1360 0.195 Uiso 1 2 calc RS T P
C17 C 0.4408(10) 0.0000 0.0000 0.162(3) Uani 1 4 d S T P
C18 C 0.4665(8) 0.0331(7) 0.0763(18) 0.162(3) Uani 0.5 1 d . . .
C16 C 0.3727(10) 0.0000 0.0000 0.162(3) Uani 1 4 d S T P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -0.1862 2.2449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Zr2 Zr1 Zr2 60.994(16) 9 10
Zr2 Zr1 Zr2 60.995(16) 2 .
Zr2 Zr1 Zr2 91.163(17) 9 .
Zr2 Zr1 Zr2 91.163(17) 10 2
Zr2 Zr1 Zr2 60.343(16) 9 2
Zr2 Zr1 Zr2 60.343(16) 10 .
O1 Zr1 Zr2 111.03(8) 4 10
O1 Zr1 Zr2 75.08(8) 10 10
O1 Zr1 Zr2 75.08(8) 11 2
O1 Zr1 Zr2 111.03(8) 10 9
O1 Zr1 Zr2 110.79(9) 4 2
O1 Zr1 Zr2 111.03(8) . 2
O1 Zr1 Zr2 111.03(8) 11 .
O1 Zr1 Zr2 110.79(9) . 10
O1 Zr1 Zr2 75.08(8) . .
O1 Zr1 Zr2 166.24(8) 4 .
O1 Zr1 Zr2 166.24(8) . 9
O1 Zr1 Zr2 166.24(8) 11 10
O1 Zr1 Zr2 166.24(8) 10 2
O1 Zr1 Zr2 75.08(8) 4 9
O1 Zr1 Zr2 110.79(9) 10 .
O1 Zr1 Zr2 110.79(9) 11 9
O1 Zr1 O1 75.08(17) 4 11
O1 Zr1 O1 118.68(16) 11 10
O1 Zr1 O1 118.68(16) 4 .
O1 Zr1 O1 75.08(17) 10 .
O1 Zr1 O1 74.77(17) 11 .
O1 Zr1 O1 74.78(17) 4 10
O1 Zr1 O6 142.37(9) 10 .
O1 Zr1 O6 78.32(17) 11 .
O1 Zr1 O6 78.32(17) 4 10
O1 Zr1 O6 142.37(9) 4 .
O1 Zr1 O6 142.37(9) . 10
O1 Zr1 O6 142.37(9) 11 10
O1 Zr1 O6 78.32(17) 10 10
O1 Zr1 O6 78.32(17) . .
O5 Zr1 Zr2 34.79(8) . 10
O5 Zr1 Zr2 90.08(14) . 2
O5 Zr1 Zr2 34.79(8) . .
O5 Zr1 Zr2 90.08(14) . 9
O5 Zr1 Zr2 34.79(8) 11 2
O5 Zr1 Zr2 90.08(14) 11 .
O5 Zr1 Zr2 34.79(8) 11 9
O5 Zr1 Zr2 90.08(14) 11 10
O5 Zr1 O1 142.26(8) 11 10
O5 Zr1 O1 78.85(15) . .
O5 Zr1 O1 78.85(15) . 10
O5 Zr1 O1 142.26(8) . 4
O5 Zr1 O1 142.26(8) 11 .
O5 Zr1 O1 142.26(8) . 11
O5 Zr1 O1 78.85(15) 11 4
O5 Zr1 O1 78.85(15) 11 11
O5 Zr1 O5 108.3(3) . 11
O5 Zr1 O6 70.21(12) 11 10
O5 Zr1 O6 70.21(12) . 10
O5 Zr1 O6 70.21(12) . .
O5 Zr1 O6 70.21(12) 11 .
O6 Zr1 Zr2 35.44(9) 10 10
O6 Zr1 Zr2 90.32(17) . 10
O6 Zr1 Zr2 90.32(17) 10 2
O6 Zr1 Zr2 90.32(17) . 9
O6 Zr1 Zr2 35.44(9) 10 9
O6 Zr1 Zr2 90.32(17) 10 .
O6 Zr1 Zr2 35.44(9) . 2
O6 Zr1 Zr2 35.44(9) . .
O6 Zr1 O6 109.4(4) . 10
Zr1 Zr2 Zr1 88.837(17) . 9
Zr1 Zr2 Zr2 59.502(8) . 2
Zr1 Zr2 Zr2 59.829(8) 9 10
Zr1 Zr2 Zr2 59.829(8) . 10
Zr1 Zr2 Zr2 59.503(8) 9 2
Zr2 Zr2 Zr2 90.0 10 2
O2 Zr2 Zr1 161.26(9) . 9
O2 Zr2 Zr1 161.26(9) 12 .
O2 Zr2 Zr1 72.43(9) 12 9
O2 Zr2 Zr1 72.43(9) . .
O2 Zr2 Zr2 108.30(10) 12 10
O2 Zr2 Zr2 108.94(10) 12 2
O2 Zr2 Zr2 108.94(10) . 2
O2 Zr2 Zr2 108.30(10) . 10
O2 Zr2 O2 126.31(17) . 12
O4 Zr2 Zr1 112.15(13) . 9
O4 Zr2 Zr1 112.15(13) . .
O4 Zr2 Zr2 76.58(19) . 10
O4 Zr2 Zr2 166.58(19) . 2
O4 Zr2 O2 75.95(13) . 12
O4 Zr2 O2 75.95(13) . .
O4 Zr2 O7 105.6(2) . .
O5 Zr2 Zr1 34.66(13) . .
O5 Zr2 Zr1 88.17(14) 3 .
O5 Zr2 Zr1 88.17(14) . 9
O5 Zr2 Zr1 34.66(13) 3 9
O5 Zr2 Zr2 88.57(16) 3 2
O5 Zr2 Zr2 34.43(11) . 10
O5 Zr2 Zr2 88.57(16) . 2
O5 Zr2 Zr2 34.43(11) 3 10
O5 Zr2 O2 140.45(15) 3 .
O5 Zr2 O2 76.30(16) 3 12
O5 Zr2 O2 140.45(15) . 12
O5 Zr2 O2 76.30(16) . .
O5 Zr2 O4 80.4(2) 3 .
O5 Zr2 O4 80.4(2) . .
O5 Zr2 O5 68.8(2) 3 .
O5 Zr2 O7 145.41(11) . .
O5 Zr2 O7 145.42(11) 3 .
O6 Zr2 Zr1 36.85(13) 2 9
O6 Zr2 Zr1 88.42(18) . 9
O6 Zr2 Zr1 36.85(13) . .
O6 Zr2 Zr1 88.42(18) 2 .
O6 Zr2 Zr2 33.52(14) 2 2
O6 Zr2 Zr2 33.52(14) . 2
O6 Zr2 Zr2 91.04(17) . 10
O6 Zr2 Zr2 91.04(17) 2 10
O6 Zr2 O2 139.23(15) 2 .
O6 Zr2 O2 76.84(18) . .
O6 Zr2 O2 139.23(15) . 12
O6 Zr2 O2 76.84(18) 2 12
O6 Zr2 O4 144.60(13) 2 .
O6 Zr2 O4 144.60(13) . .
O6 Zr2 O5 71.48(19) 2 3
O6 Zr2 O5 107.8(3) 2 .
O6 Zr2 O5 71.48(19) . .
O6 Zr2 O5 107.8(3) . 3
O6 Zr2 O6 67.0(3) 2 .
O6 Zr2 O7 87.1(2) 2 .
O6 Zr2 O7 87.1(2) . .
O7 Zr2 Zr1 118.87(10) . 9
O7 Zr2 Zr1 118.87(10) . .
O7 Zr2 Zr2 87.82(16) . 2
O7 Zr2 Zr2 177.82(16) . 10
O7 Zr2 O2 72.46(12) . .
O7 Zr2 O2 72.46(12) . 12
C1 O1 Zr1 132.0(3) . .
C1 O2 Zr2 133.9(3) . .
C12 O4 Zr2 125.6(11) . .
Zr1 O5 Zr2 110.55(18) . 10
Zr1 O5 Zr2 110.56(18) . .
Zr2 O5 Zr2 111.1(2) . 10
Zr2 O6 Zr1 107.71(19) . .
Zr2 O6 Zr1 107.71(19) 2 .
Zr2 O6 Zr2 113.0(3) 2 .
O1 C1 C2 115.1(4) . .
O2 C1 O1 126.3(4) . .
O2 C1 C2 118.5(4) . .
C3 C2 C1 119.8(5) . .
C7 C2 C1 120.7(5) . .
C7 C2 C3 119.5(5) . .
C4 C3 C2 119.2(6) . .
C5 C4 C3 121.6(6) . .
C4 C5 C10 121.1(6) . .
C6 C5 C4 119.1(5) . .
C6 C5 C10 119.8(6) . .
C5 C6 C7 120.3(6) . .
C2 C7 C6 120.2(5) . .
C9 C8 C8 121.5(3) 6 13_556
C9 C8 C8 121.5(3) . 13_556
C9 C8 C9 117.0(7) 6 .
C10 C9 C8 122.1(5) . .
C9 C10 C5 117.8(5) . .
C9 C10 C11 119.7(5) . .
C11 C10 C5 122.4(6) . .
O3 C11 C10 120.3(4) . .
O3 C11 C10 120.3(4) . 6
C10 C11 C10 119.4(7) 6 .
O4 C12 O4 135.7(19) 10 .
O4 C12 C13 112.2(10) 10 .
O4 C12 C13 112.2(10) . .
C14 C13 C12 120.6(11) . .
C14 C13 C12 120.6(11) 10 .
C14 C13 C14 119(2) 10 .
C15 C14 C13 121(2) . .
C14 C15 C16 117(2) . .
C18 C17 C18 84.0(17) 10 .
C18 C17 C18 82.2(17) 12 .
C18 C17 C18 139(2) 3 .
C18 C17 C18 82.2(17) 3 10
C18 C17 C18 139(2) 12 10
C18 C17 C18 84.0(17) 3 12
C16 C17 C18 110.3(11) . 12
C16 C17 C18 110.3(11) . 10
C16 C17 C18 110.3(11) . .
C16 C17 C18 110.3(11) . 3
C18 C18 C17 110.3(11) 11_655 .
C15 C16 C15 125(2) . 10
C15 C16 C17 117.6(12) . .
C15 C16 C17 117.6(12) 10 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zr1 Zr2 3.4941(5) 9
Zr1 Zr2 3.4941(5) 10
Zr1 Zr2 3.4941(5) .
Zr1 Zr2 3.4941(5) 2
Zr1 O1 2.198(3) 10
Zr1 O1 2.198(3) .
Zr1 O1 2.198(3) 11
Zr1 O1 2.198(3) 4
Zr1 O5 2.122(5) 11
Zr1 O5 2.122(5) .
Zr1 O6 2.200(5) 10
Zr1 O6 2.199(5) .
Zr2 Zr1 3.4941(5) 9
Zr2 Zr2 3.5121(9) 10
Zr2 Zr2 3.5465(9) 2
Zr2 O2 2.248(3) 12
Zr2 O2 2.248(3) .
Zr2 O4 2.172(5) .
Zr2 O5 2.129(3) 3
Zr2 O5 2.129(3) .
Zr2 O6 2.127(3) .
Zr2 O6 2.127(3) 2
Zr2 O7 2.185(5) .
O1 C1 1.265(6) .
O2 C1 1.256(6) .
O3 C11 1.338(10) .
O4 C12 1.352(10) .
O5 Zr2 2.129(3) 10
O6 Zr2 2.127(3) 2
C1 C2 1.491(6) .
C2 C3 1.387(8) .
C2 C7 1.375(8) .
C3 C4 1.386(8) .
C4 C5 1.372(10) .
C5 C6 1.367(9) .
C5 C10 1.498(7) .
C6 C7 1.400(7) .
C8 C8 1.483(14) 13_556
C8 C9 1.391(6) .
C8 C9 1.391(6) 6
C9 C10 1.383(8) .
C10 C11 1.390(7) .
C11 C10 1.390(7) 6
C12 O4 1.352(10) 10
C12 C13 1.49(3) .
C13 C14 1.404(19) 10
C13 C14 1.404(19) .
C14 C15 1.37(2) .
C15 C16 1.385(19) .
C17 C18 1.71(2) 3
C17 C18 1.71(2) 12
C17 C18 1.71(2) .
C17 C18 1.71(2) 10
C17 C16 1.57(3) .
C18 C18 1.55(4) 11_655
C16 C15 1.386(19) 10
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 -0.599 -0.884 -0.658 8402.3 951.1
