#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003624.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_7003624
loop_
_publ_author_name
'Song, Yu-Fei'
'Berry, John F.'
'Weyhermüller, Thomas'
'Bill, Eckhard'
_publ_section_title
;
 Bond distances are not always what they appear to be: discovery and
 un-discovery of the longest Cr(v)N triple bond
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1864
_journal_page_last               1871
_journal_paper_doi               10.1039/b717618j
_journal_year                    2008
_chemical_formula_moiety         '[C13 H23 Cr N6 O4], 0.5 (H2 O)'
_chemical_formula_sum            'C13 H24 Cr N6 O4.5'
_chemical_formula_weight         388.38
_chemical_name_common            'L2CrN3, 0.5(H2O)'
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.459(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.2406(2)
_cell_length_b                   27.785(2)
_cell_length_c                   16.5271(6)
_cell_measurement_reflns_used    42831
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      3.18
_cell_volume                     3303.8(3)
_computing_cell_refinement       'Nonius Collect Software'
_computing_data_collection       'Nonius Collect Software'
_computing_data_reduction        'Nonius Collect Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode, 50 kV, 80 mA'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_av_sigmaI/netI    0.0660
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            42349
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.9724
_exptl_absorpt_correction_T_min  0.8978
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'transparent needle'
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         9578
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0843
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0296P)²+4.4178P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1077
_reflns_number_gt                6987
_reflns_number_total             9578
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717618j.txt
_cod_data_source_block           Cpd5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7003624
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.89738(5) 0.016483(13) 0.24048(2) 0.01077(8) Uani 1 1 d . . .
N1 N 0.6635(3) 0.01715(7) 0.30744(11) 0.0127(4) Uani 1 1 d . . .
C2 C 0.4955(3) 0.02667(9) 0.24564(15) 0.0163(5) Uani 1 1 d . . .
H2A H 0.4056 0.0470 0.2711 0.020 Uiso 1 1 calc R . .
H2B H 0.4339 -0.0043 0.2299 0.020 Uiso 1 1 calc R . .
C3 C 0.5489(3) 0.05180(9) 0.16961(15) 0.0172(5) Uani 1 1 d . . .
H3A H 0.4407 0.0527 0.1273 0.021 Uiso 1 1 calc R . .
H3B H 0.5875 0.0853 0.1829 0.021 Uiso 1 1 calc R . .
N4 N 0.7055(3) 0.02494(7) 0.13849(12) 0.0143(4) Uani 1 1 d . . .
C5 C 0.6422(3) -0.02367(9) 0.10435(14) 0.0158(5) Uani 1 1 d . . .
H5A H 0.6291 -0.0224 0.0441 0.019 Uiso 1 1 calc R . .
H5B H 0.5191 -0.0315 0.1216 0.019 Uiso 1 1 calc R . .
C6 C 0.7811(3) -0.06260(9) 0.13406(14) 0.0148(5) Uani 1 1 d . . .
H6A H 0.7239 -0.0947 0.1243 0.018 Uiso 1 1 calc R . .
H6B H 0.8914 -0.0606 0.1038 0.018 Uiso 1 1 calc R . .
N7 N 0.8380(3) -0.05577(7) 0.22277(11) 0.0122(4) Uani 1 1 d . . .
C8 C 0.6821(3) -0.06941(8) 0.27156(14) 0.0130(4) Uani 1 1 d . . .
H8A H 0.7066 -0.1018 0.2955 0.016 Uiso 1 1 calc R . .
H8B H 0.5642 -0.0710 0.2350 0.016 Uiso 1 1 calc R . .
C9 C 0.6618(3) -0.03363(8) 0.33905(14) 0.0140(4) Uani 1 1 d . . .
H9A H 0.5436 -0.0396 0.3622 0.017 Uiso 1 1 calc R . .
H9B H 0.7651 -0.0380 0.3830 0.017 Uiso 1 1 calc R . .
C10 C 0.6642(3) 0.05342(9) 0.37666(15) 0.0173(5) Uani 1 1 d . . .
H10 H 0.6661 0.0862 0.3518 0.021 Uiso 1 1 calc R . .
C11 C 0.4886(4) 0.05056(11) 0.42097(17) 0.0253(6) Uani 1 1 d . . .
H11A H 0.3851 0.0664 0.3880 0.038 Uiso 1 1 calc R . .
H11B H 0.5118 0.0667 0.4739 0.038 Uiso 1 1 calc R . .
H11C H 0.4572 0.0167 0.4292 0.038 Uiso 1 1 calc R . .
C12 C 0.8376(4) 0.04938(10) 0.43830(16) 0.0240(6) Uani 1 1 d . . .
H12A H 0.8305 0.0199 0.4704 0.036 Uiso 1 1 calc R . .
H12B H 0.8449 0.0774 0.4746 0.036 Uiso 1 1 calc R . .
H12C H 0.9485 0.0483 0.4094 0.036 Uiso 1 1 calc R . .
C13 C 0.8075(3) 0.05213(9) 0.07999(15) 0.0179(5) Uani 1 1 d . . .
H13A H 0.7957 0.0871 0.0897 0.022 Uiso 1 1 calc R . .
H13B H 0.7524 0.0452 0.0236 0.022 Uiso 1 1 calc R . .
C14 C 1.0133(3) 0.03793(8) 0.09003(14) 0.0145(4) Uani 1 1 d . . .
O15 O 1.1119(2) 0.04913(7) 0.03763(10) 0.0199(4) Uani 1 1 d . . .
O16 O 1.0713(2) 0.01542(6) 0.15744(10) 0.0156(3) Uani 1 1 d . . .
C17 C 1.0148(3) -0.08127(9) 0.25123(15) 0.0152(5) Uani 1 1 d . . .
H17A H 1.0908 -0.0846 0.2053 0.018 Uiso 1 1 calc R . .
H17B H 0.9864 -0.1140 0.2702 0.018 Uiso 1 1 calc R . .
C18 C 1.1251(3) -0.05347(9) 0.32074(14) 0.0151(5) Uani 1 1 d . . .
O19 O 1.2487(2) -0.07385(7) 0.36443(11) 0.0190(4) Uani 1 1 d . . .
O20 O 1.0827(2) -0.00822(6) 0.32518(10) 0.0150(3) Uani 1 1 d . . .
N31 N 0.9377(3) 0.08788(8) 0.25791(14) 0.0190(4) Uani 1 1 d . . .
N32 N 1.0825(3) 0.10843(7) 0.25484(13) 0.0161(4) Uani 1 1 d . . .
N33 N 1.2176(3) 0.13041(8) 0.25250(15) 0.0259(5) Uani 1 1 d . . .
Cr2 Cr 0.75563(5) 0.237146(14) 0.51801(2) 0.01336(9) Uani 1 1 d . . .
N41 N 0.6360(3) 0.23490(8) 0.39417(12) 0.0165(4) Uani 1 1 d . . .
C42 C 0.6104(3) 0.28708(9) 0.37244(16) 0.0194(5) Uani 1 1 d . . .
H42A H 0.5293 0.2901 0.3203 0.023 Uiso 1 1 calc R . .
H42B H 0.7324 0.3016 0.3652 0.023 Uiso 1 1 calc R . .
C43 C 0.5236(3) 0.31390(9) 0.43893(16) 0.0193(5) Uani 1 1 d . . .
H43A H 0.5337 0.3490 0.4297 0.023 Uiso 1 1 calc R . .
H43B H 0.3899 0.3057 0.4356 0.023 Uiso 1 1 calc R . .
N44 N 0.6150(3) 0.30191(7) 0.52260(13) 0.0162(4) Uani 1 1 d . . .
C45 C 0.4733(3) 0.29444(9) 0.58093(16) 0.0195(5) Uani 1 1 d . . .
H45A H 0.3825 0.3212 0.5763 0.023 Uiso 1 1 calc R . .
H45B H 0.5349 0.2936 0.6375 0.023 Uiso 1 1 calc R . .
C46 C 0.3741(3) 0.24680(9) 0.56026(16) 0.0185(5) Uani 1 1 d . . .
H46A H 0.3045 0.2372 0.6059 0.022 Uiso 1 1 calc R . .
H46B H 0.2835 0.2511 0.5113 0.022 Uiso 1 1 calc R . .
N47 N 0.5089(3) 0.20758(7) 0.54468(12) 0.0154(4) Uani 1 1 d . . .
C48 C 0.4445(3) 0.17909(10) 0.47040(15) 0.0196(5) Uani 1 1 d . . .
H48A H 0.3163 0.1675 0.4737 0.023 Uiso 1 1 calc R . .
H48B H 0.5260 0.1507 0.4670 0.023 Uiso 1 1 calc R . .
C49 C 0.4489(3) 0.21006(10) 0.39509(15) 0.0188(5) Uani 1 1 d . . .
H49A H 0.3497 0.2347 0.3935 0.023 Uiso 1 1 calc R . .
H49B H 0.4240 0.1897 0.3459 0.023 Uiso 1 1 calc R . .
C50 C 0.7447(3) 0.20799(10) 0.33433(15) 0.0199(5) Uani 1 1 d . . .
H50 H 0.7501 0.1734 0.3513 0.024 Uiso 1 1 calc R . .
C51 C 0.9449(4) 0.22574(11) 0.33694(18) 0.0265(6) Uani 1 1 d . . .
H51A H 0.9455 0.2586 0.3155 0.040 Uiso 1 1 calc R . .
H51B H 1.0140 0.2046 0.3037 0.040 Uiso 1 1 calc R . .
H51C H 1.0037 0.2254 0.3933 0.040 Uiso 1 1 calc R . .
C52 C 0.6519(4) 0.20967(12) 0.24647(17) 0.0309(7) Uani 1 1 d . . .
H52A H 0.5226 0.1989 0.2448 0.046 Uiso 1 1 calc R . .
H52B H 0.7188 0.1884 0.2124 0.046 Uiso 1 1 calc R . .
H52C H 0.6548 0.2427 0.2259 0.046 Uiso 1 1 calc R . .
C53 C 0.7597(3) 0.33777(9) 0.55227(16) 0.0194(5) Uani 1 1 d . . .
H53A H 0.7759 0.3380 0.6126 0.023 Uiso 1 1 calc R . .
H53B H 0.7196 0.3703 0.5332 0.023 Uiso 1 1 calc R . .
C54 C 0.9445(3) 0.32523(9) 0.52075(15) 0.0181(5) Uani 1 1 d . . .
O55 O 1.0629(3) 0.35632(7) 0.51617(12) 0.0252(4) Uani 1 1 d . . .
O56 O 0.9635(2) 0.28025(6) 0.50231(11) 0.0176(4) Uani 1 1 d . . .
C57 C 0.5612(4) 0.17818(9) 0.61933(16) 0.0199(5) Uani 1 1 d . . .
H57A H 0.6073 0.1463 0.6040 0.024 Uiso 1 1 calc R . .
H57B H 0.4510 0.1732 0.6488 0.024 Uiso 1 1 calc R . .
C58 C 0.7125(3) 0.20444(9) 0.67421(16) 0.0192(5) Uani 1 1 d . . .
O59 O 0.7375(3) 0.19561(7) 0.74726(11) 0.0261(4) Uani 1 1 d . . .
O60 O 0.8099(2) 0.23485(6) 0.63703(11) 0.0189(4) Uani 1 1 d . . .
N71 N 0.8779(3) 0.17421(8) 0.50461(14) 0.0225(5) Uani 1 1 d . . .
N72 N 1.0033(3) 0.15763(8) 0.54944(14) 0.0196(4) Uani 1 1 d . . .
N73 N 1.1243(3) 0.14014(10) 0.58915(17) 0.0353(6) Uani 1 1 d . . .
O80 O 1.1467(3) 0.38030(8) 0.35557(13) 0.0335(5) Uani 1 1 d D . .
H80A H 1.128(5) 0.3675(14) 0.4013(17) 0.050 Uiso 1 1 d D . .
H80B H 1.121(5) 0.3547(11) 0.327(2) 0.050 Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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
_geom_angle_publ_flag
O20 Cr1 O16 93.03(7) . . ?
O20 Cr1 N31 99.57(8) . . ?
O16 Cr1 N31 91.18(8) . . ?
O20 Cr1 N7 82.84(7) . . ?
O16 Cr1 N7 91.49(7) . . ?
N31 Cr1 N7 176.30(8) . . ?
O20 Cr1 N4 165.16(8) . . ?
O16 Cr1 N4 81.79(7) . . ?
N31 Cr1 N4 94.45(8) . . ?
N7 Cr1 N4 83.41(8) . . ?
O20 Cr1 N1 98.83(7) . . ?
O16 Cr1 N1 167.19(7) . . ?
N31 Cr1 N1 91.61(8) . . ?
N7 Cr1 N1 85.23(8) . . ?
N4 Cr1 N1 85.52(7) . . ?
C9 N1 C2 111.05(18) . . ?
C9 N1 C10 111.02(18) . . ?
C2 N1 C10 108.91(18) . . ?
C9 N1 Cr1 102.17(13) . . ?
C2 N1 Cr1 106.01(13) . . ?
C10 N1 Cr1 117.45(14) . . ?
N1 C2 C3 112.05(19) . . ?
N4 C3 C2 109.09(19) . . ?
C13 N4 C3 114.90(19) . . ?
C13 N4 C5 111.26(19) . . ?
C3 N4 C5 111.30(18) . . ?
C13 N4 Cr1 104.47(14) . . ?
C3 N4 Cr1 103.97(14) . . ?
C5 N4 Cr1 110.42(14) . . ?
N4 C5 C6 110.63(18) . . ?
N7 C6 C5 109.07(19) . . ?
C6 N7 C17 112.46(18) . . ?
C6 N7 C8 110.70(17) . . ?
C17 N7 C8 112.30(18) . . ?
C6 N7 Cr1 107.05(14) . . ?
C17 N7 Cr1 105.01(14) . . ?
C8 N7 Cr1 108.96(14) . . ?
N7 C8 C9 111.69(18) . . ?
N1 C9 C8 110.77(18) . . ?
N1 C10 C12 112.6(2) . . ?
N1 C10 C11 112.9(2) . . ?
C12 C10 C11 109.8(2) . . ?
N4 C13 C14 110.29(19) . . ?
O15 C14 O16 124.7(2) . . ?
O15 C14 C13 119.7(2) . . ?
O16 C14 C13 115.5(2) . . ?
C14 O16 Cr1 114.81(15) . . ?
N7 C17 C18 110.69(19) . . ?
O19 C18 O20 125.2(2) . . ?
O19 C18 C17 119.6(2) . . ?
O20 C18 C17 115.1(2) . . ?
C18 O20 Cr1 116.63(15) . . ?
N32 N31 Cr1 125.04(17) . . ?
N33 N32 N31 176.6(3) . . ?
O60 Cr2 O56 94.72(7) . . ?
O60 Cr2 N71 92.39(8) . . ?
O56 Cr2 N71 99.47(9) . . ?
O60 Cr2 N47 81.56(8) . . ?
O56 Cr2 N47 165.55(8) . . ?
N71 Cr2 N47 94.64(9) . . ?
O60 Cr2 N44 92.03(8) . . ?
O56 Cr2 N44 82.08(8) . . ?
N71 Cr2 N44 175.18(9) . . ?
N47 Cr2 N44 84.10(8) . . ?
O60 Cr2 N41 167.16(8) . . ?
O56 Cr2 N41 97.22(8) . . ?
N71 Cr2 N41 90.29(9) . . ?
N47 Cr2 N41 85.71(8) . . ?
N44 Cr2 N41 84.97(8) . . ?
C42 N41 C49 110.78(18) . . ?
C42 N41 C50 112.15(19) . . ?
C49 N41 C50 107.97(19) . . ?
C42 N41 Cr2 103.14(15) . . ?
C49 N41 Cr2 105.64(14) . . ?
C50 N41 Cr2 116.93(14) . . ?
N41 C42 C43 110.5(2) . . ?
N44 C43 C42 112.42(19) . . ?
C53 N44 C45 112.8(2) . . ?
C53 N44 C43 112.08(19) . . ?
C45 N44 C43 111.10(19) . . ?
C53 N44 Cr2 105.24(14) . . ?
C45 N44 Cr2 106.12(15) . . ?
C43 N44 Cr2 109.04(15) . . ?
N44 C45 C46 108.4(2) . . ?
N47 C46 C45 111.62(19) . . ?
C48 N47 C57 114.6(2) . . ?
C48 N47 C46 112.12(19) . . ?
C57 N47 C46 111.34(19) . . ?
C48 N47 Cr2 103.56(15) . . ?
C57 N47 Cr2 104.47(14) . . ?
C46 N47 Cr2 110.06(15) . . ?
N47 C48 C49 109.9(2) . . ?
C48 C49 N41 111.51(19) . . ?
N41 C50 C51 112.4(2) . . ?
N41 C50 C52 113.3(2) . . ?
C51 C50 C52 109.3(2) . . ?
N44 C53 C54 110.2(2) . . ?
O55 C54 O56 124.8(2) . . ?
O55 C54 C53 120.3(2) . . ?
O56 C54 C53 114.8(2) . . ?
C54 O56 Cr2 116.95(15) . . ?
N47 C57 C58 109.1(2) . . ?
O59 C58 O60 124.7(2) . . ?
O59 C58 C57 120.4(2) . . ?
O60 C58 C57 114.9(2) . . ?
C58 O60 Cr2 115.92(15) . . ?
N72 N71 Cr2 125.92(19) . . ?
N73 N72 N71 176.5(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cr1 O20 1.9514(16) . ?
Cr1 O16 1.9642(16) . ?
Cr1 N31 2.021(2) . ?
Cr1 N7 2.067(2) . ?
Cr1 N4 2.073(2) . ?
Cr1 N1 2.1249(19) . ?
N1 C9 1.505(3) . ?
N1 C2 1.521(3) . ?
N1 C10 1.524(3) . ?
C2 C3 1.525(3) . ?
C3 N4 1.496(3) . ?
N4 C13 1.487(3) . ?
N4 C5 1.515(3) . ?
C5 C6 1.520(3) . ?
C6 N7 1.490(3) . ?
N7 C17 1.492(3) . ?
N7 C8 1.508(3) . ?
C8 C9 1.514(3) . ?
C10 C12 1.529(4) . ?
C10 C11 1.539(3) . ?
C13 C14 1.533(3) . ?
C14 O15 1.223(3) . ?
C14 O16 1.305(3) . ?
C17 C18 1.533(3) . ?
C18 O19 1.224(3) . ?
C18 O20 1.298(3) . ?
N31 N32 1.200(3) . ?
N32 N33 1.158(3) . ?
Cr2 O60 1.9632(18) . ?
Cr2 O56 1.9636(17) . ?
Cr2 N71 1.984(2) . ?
Cr2 N47 2.058(2) . ?
Cr2 N44 2.073(2) . ?
Cr2 N41 2.132(2) . ?
N41 C42 1.500(3) . ?
N41 C49 1.522(3) . ?
N41 C50 1.527(3) . ?
C42 C43 1.521(4) . ?
C43 N44 1.502(3) . ?
N44 C53 1.488(3) . ?
N44 C45 1.499(3) . ?
C45 C46 1.526(4) . ?
C46 N47 1.504(3) . ?
N47 C48 1.491(3) . ?
N47 C57 1.492(3) . ?
C48 C49 1.516(4) . ?
C50 C51 1.528(3) . ?
C50 C52 1.531(4) . ?
C53 C54 1.529(3) . ?
C54 O55 1.225(3) . ?
C54 O56 1.297(3) . ?
C57 C58 1.527(4) . ?
C58 O59 1.225(3) . ?
C58 O60 1.298(3) . ?
N71 N72 1.197(3) . ?
N72 N73 1.143(3) . ?
