#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:02:01 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180056 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/02/7050239.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_7050239
loop_
_publ_author_name
'Nail M. Shavaleev'
'Andrea Barbieri'
'Zöe R. Bell'
'Michael D. Ward'
'Francesco Barigelletti'
_publ_section_title
;
 New ligands in the 2,2'-dipyridylamine series and their Re(I)
 complexes; synthesis, structures and luminescence properties
;
_journal_issue                   3
_journal_name_full               'New J. Chem.'
_journal_page_first              398
_journal_page_last               405
_journal_paper_doi               10.1039/b312647a
_journal_volume                  28
_journal_year                    2004
_chemical_formula_sum            'C21 H18 Cl N4 O3 Re'
_chemical_formula_weight         596.04
_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                 93.700(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.1998(15)
_cell_length_b                   21.486(4)
_cell_length_c                   21.451(4)
_cell_measurement_reflns_used    134
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      1
_cell_measurement_theta_min      0.780384
_cell_volume                     4231.3(13)
_computing_cell_refinement       'Bruker SAINT (Bruker, 1998)'
_computing_data_collection       'Bruker SMART (Bruker, 1998)'
_computing_data_reduction        'Bruker SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker, 1998)'
_computing_publication_material  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'Bruker SHELXTL (Bruker, 1998)'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 1998)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27110
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.900
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.29
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.871
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.777
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         9673
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0169P)²+1.3100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0494
_refine_ls_wR_factor_ref         0.0534
_reflns_number_gt                7677
_reflns_number_total             9673
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b312647a.txt
_cod_data_source_block           mooses
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4231.3(12)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7050239
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
Re1 Re 0.024417(16) 0.407276(7) 0.162973(7) 0.02216(4) Uani 1 1 d . . .
Cl1 Cl 0.05086(12) 0.52027(5) 0.14682(6) 0.0402(3) Uani 1 1 d . . .
O51 O -0.1561(4) 0.41881(16) 0.27753(16) 0.0506(9) Uani 1 1 d . . .
O61 O -0.2579(3) 0.40253(14) 0.07899(15) 0.0406(8) Uani 1 1 d . . .
O71 O -0.0013(3) 0.26839(13) 0.19092(13) 0.0321(7) Uani 1 1 d . . .
N11 N 0.2384(3) 0.41412(14) 0.21227(14) 0.0228(7) Uani 1 1 d . . .
N21 N 0.1632(3) 0.39552(14) 0.08509(14) 0.0225(7) Uani 1 1 d . . .
N31 N 0.3335(3) 0.33648(14) 0.14792(14) 0.0213(7) Uani 1 1 d . . .
N41 N 0.6531(4) 0.11248(16) 0.15722(18) 0.0362(9) Uani 1 1 d . . .
C12 C 0.3483(4) 0.37565(16) 0.20155(17) 0.0211(8) Uani 1 1 d . . .
C13 C 0.4737(4) 0.37381(17) 0.24104(18) 0.0266(9) Uani 1 1 d . . .
H13A H 0.5492 0.3453 0.2333 0.032 Uiso 1 1 calc R . .
C14 C 0.4885(4) 0.41340(18) 0.29149(19) 0.0298(9) Uani 1 1 d . . .
H14A H 0.5730 0.4117 0.3193 0.036 Uiso 1 1 calc R . .
C15 C 0.3789(4) 0.45560(18) 0.30108(19) 0.0298(9) Uani 1 1 d . . .
H15A H 0.3878 0.4846 0.3345 0.036 Uiso 1 1 calc R . .
C16 C 0.2574(4) 0.45435(18) 0.2609(2) 0.0294(9) Uani 1 1 d . . .
H16A H 0.1818 0.4833 0.2675 0.035 Uiso 1 1 calc R . .
C22 C 0.2806(4) 0.35833(16) 0.08864(18) 0.0226(8) Uani 1 1 d . . .
C23 C 0.3466(4) 0.33955(18) 0.03476(19) 0.0278(9) Uani 1 1 d . . .
H23A H 0.4274 0.3119 0.0378 0.033 Uiso 1 1 calc R . .
C24 C 0.2945(5) 0.3611(2) -0.0223(2) 0.0380(11) Uani 1 1 d . . .
H24A H 0.3381 0.3483 -0.0591 0.046 Uiso 1 1 calc R . .
C25 C 0.1779(5) 0.4018(2) -0.0258(2) 0.0401(11) Uani 1 1 d . . .
H25A H 0.1410 0.4180 -0.0649 0.048 Uiso 1 1 calc R . .
C26 C 0.1174(5) 0.4181(2) 0.0279(2) 0.0330(10) Uani 1 1 d . . .
H26A H 0.0387 0.4468 0.0254 0.040 Uiso 1 1 calc R . .
C31 C 0.4190(4) 0.27931(17) 0.14987(17) 0.0228(8) Uani 1 1 d . . .
C32 C 0.3517(4) 0.22409(16) 0.16467(17) 0.0209(8) Uani 1 1 d . . .
H32A H 0.2516 0.2243 0.1730 0.025 Uiso 1 1 calc R . .
C33 C 0.4280(4) 0.16885(17) 0.16748(18) 0.0244(9) Uani 1 1 d . . .
H33A H 0.3800 0.1316 0.1785 0.029 Uiso 1 1 calc R . .
C34 C 0.5757(4) 0.16671(18) 0.15433(18) 0.0241(8) Uani 1 1 d . . .
C35 C 0.6423(4) 0.22342(18) 0.13943(19) 0.0263(9) Uani 1 1 d . . .
H35A H 0.7421 0.2237 0.1304 0.032 Uiso 1 1 calc R . .
C36 C 0.5651(4) 0.27849(18) 0.13767(18) 0.0256(9) Uani 1 1 d . . .
H36A H 0.6126 0.3162 0.1280 0.031 Uiso 1 1 calc R . .
C42 C 0.5772(6) 0.0540(2) 0.1631(3) 0.0597(16) Uani 1 1 d . . .
H42A H 0.5246 0.0544 0.2014 0.089 Uiso 1 1 calc R . .
H42B H 0.6476 0.0198 0.1649 0.089 Uiso 1 1 calc R . .
H42C H 0.5077 0.0484 0.1269 0.089 Uiso 1 1 calc R . .
C43 C 0.7981(5) 0.1104(2) 0.1343(2) 0.0417(12) Uani 1 1 d . . .
H43A H 0.8628 0.1382 0.1594 0.063 Uiso 1 1 calc R . .
H43B H 0.7937 0.1239 0.0905 0.063 Uiso 1 1 calc R . .
H43C H 0.8357 0.0678 0.1374 0.063 Uiso 1 1 calc R . .
C51 C -0.0878(5) 0.41626(19) 0.2341(2) 0.0333(10) Uani 1 1 d . . .
C61 C -0.1527(4) 0.40421(18) 0.11191(19) 0.0287(9) Uani 1 1 d . . .
C71 C 0.0117(4) 0.32017(19) 0.17852(18) 0.0235(8) Uani 1 1 d . . .
Re2 Re 1.119321(16) 0.152335(7) 0.984360(7) 0.01881(4) Uani 1 1 d . . .
Cl2 Cl 1.19681(10) 0.05662(4) 0.93139(4) 0.0259(2) Uani 1 1 d . . .
O151 O 1.4389(3) 0.19006(14) 1.01254(13) 0.0363(7) Uani 1 1 d . . .
O161 O 1.0098(3) 0.26931(13) 1.04784(13) 0.0359(7) Uani 1 1 d . . .
O171 O 1.1286(3) 0.08692(14) 1.11156(13) 0.0372(7) Uani 1 1 d . . .
N111 N 1.1133(3) 0.19739(14) 0.89258(14) 0.0199(7) Uani 1 1 d . . .
N121 N 0.8981(3) 0.12913(14) 0.94832(14) 0.0203(7) Uani 1 1 d . . .
N131 N 0.8672(3) 0.22744(14) 0.89705(14) 0.0217(7) Uani 1 1 d . . .
N141 N 0.4957(4) 0.43441(18) 0.8577(2) 0.0505(11) Uani 1 1 d . . .
C112 C 1.0046(4) 0.23587(17) 0.87334(17) 0.0215(8) Uani 1 1 d . . .
C113 C 1.0284(4) 0.28379(19) 0.83103(19) 0.0293(9) Uani 1 1 d . . .
H11A H 0.9540 0.3134 0.8207 0.035 Uiso 1 1 calc R . .
C114 C 1.1592(4) 0.2876(2) 0.80480(19) 0.0323(10) Uani 1 1 d . . .
H11B H 1.1770 0.3206 0.7768 0.039 Uiso 1 1 calc R . .
C115 C 1.2658(4) 0.24361(19) 0.81894(19) 0.0311(10) Uani 1 1 d . . .
H11C H 1.3544 0.2437 0.7985 0.037 Uiso 1 1 calc R . .
C116 C 1.2399(4) 0.20026(18) 0.86303(18) 0.0251(9) Uani 1 1 d . . .
H11D H 1.3137 0.1705 0.8738 0.030 Uiso 1 1 calc R . .
C122 C 0.8112(4) 0.16905(16) 0.91483(17) 0.0188(8) Uani 1 1 d . . .
C123 C 0.6652(4) 0.15456(18) 0.89937(19) 0.0289(9) Uani 1 1 d . . .
H12A H 0.6045 0.1835 0.8765 0.035 Uiso 1 1 calc R . .
C124 C 0.6096(4) 0.09842(18) 0.9172(2) 0.0306(9) Uani 1 1 d . . .
H12B H 0.5102 0.0885 0.9071 0.037 Uiso 1 1 calc R . .
C125 C 0.6991(4) 0.05658(18) 0.94995(19) 0.0274(9) Uani 1 1 d . . .
H12C H 0.6634 0.0172 0.9622 0.033 Uiso 1 1 calc R . .
C126 C 0.8407(4) 0.07347(17) 0.96419(18) 0.0237(8) Uani 1 1 d . . .
H12D H 0.9026 0.0446 0.9865 0.028 Uiso 1 1 calc R . .
C131 C 0.7640(4) 0.27835(17) 0.88668(18) 0.0229(8) Uani 1 1 d . . .
C132 C 0.6876(4) 0.28683(19) 0.82997(19) 0.0283(9) Uani 1 1 d . . .
H13B H 0.6971 0.2572 0.7976 0.034 Uiso 1 1 calc R . .
C133 C 0.5968(4) 0.33790(18) 0.8193(2) 0.0302(10) Uani 1 1 d . . .
H13C H 0.5438 0.3427 0.7801 0.036 Uiso 1 1 calc R . .
C134 C 0.5833(4) 0.38275(19) 0.8670(2) 0.0334(10) Uani 1 1 d . . .
C135 C 0.6621(5) 0.37314(19) 0.9237(2) 0.0348(10) Uani 1 1 d . . .
H13D H 0.6552 0.4027 0.9564 0.042 Uiso 1 1 calc R . .
C136 C 0.7507(4) 0.32113(18) 0.9336(2) 0.0293(9) Uani 1 1 d . . .
H13E H 0.8023 0.3152 0.9730 0.035 Uiso 1 1 calc R . .
C142 C 0.4071(6) 0.4424(2) 0.8007(3) 0.0600(16) Uani 1 1 d . . .
H14B H 0.3505 0.4045 0.7917 0.090 Uiso 1 1 calc R . .
H14C H 0.4697 0.4507 0.7664 0.090 Uiso 1 1 calc R . .
H14D H 0.3407 0.4776 0.8051 0.090 Uiso 1 1 calc R . .
C143 C 0.5159(6) 0.4875(2) 0.8998(3) 0.0639(17) Uani 1 1 d . . .
H14E H 0.4755 0.4776 0.9398 0.096 Uiso 1 1 calc R . .
H14F H 0.4655 0.5238 0.8811 0.096 Uiso 1 1 calc R . .
H14G H 0.6200 0.4966 0.9066 0.096 Uiso 1 1 calc R . .
C151 C 1.3196(5) 0.17571(18) 1.00454(17) 0.0255(9) Uani 1 1 d . . .
C161 C 1.0519(4) 0.22573(18) 1.02384(17) 0.0229(8) Uani 1 1 d . . .
C171 C 1.1234(4) 0.11121(18) 1.06361(19) 0.0247(9) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C61 Re1 C71 90.39(16) . . ?
C61 Re1 C51 88.66(17) . . ?
C71 Re1 C51 85.23(17) . . ?
C61 Re1 N11 173.72(15) . . ?
C71 Re1 N11 92.59(13) . . ?
C51 Re1 N11 97.09(15) . . ?
C61 Re1 N21 94.40(14) . . ?
C71 Re1 N21 93.78(14) . . ?
C51 Re1 N21 176.79(15) . . ?
N11 Re1 N21 79.89(12) . . ?
C61 Re1 Cl1 92.39(12) . . ?
C71 Re1 Cl1 177.18(11) . . ?
C51 Re1 Cl1 94.37(13) . . ?
N11 Re1 Cl1 84.70(8) . . ?
N21 Re1 Cl1 86.47(8) . . ?
C12 N11 C16 117.7(3) . . ?
C12 N11 Re1 123.0(2) . . ?
C16 N11 Re1 118.9(3) . . ?
C22 N21 C26 117.7(3) . . ?
C22 N21 Re1 122.3(2) . . ?
C26 N21 Re1 119.1(3) . . ?
C22 N31 C12 122.7(3) . . ?
C22 N31 C31 117.4(3) . . ?
C12 N31 C31 116.8(3) . . ?
C34 N41 C42 119.4(4) . . ?
C34 N41 C43 119.9(4) . . ?
C42 N41 C43 117.6(4) . . ?
N11 C12 C13 121.4(3) . . ?
N11 C12 N31 118.0(3) . . ?
C13 C12 N31 120.6(3) . . ?
C14 C13 C12 119.9(4) . . ?
C13 C14 C15 119.1(4) . . ?
C16 C15 C14 117.9(4) . . ?
N11 C16 C15 123.8(4) . . ?
N21 C22 C23 121.0(3) . . ?
N21 C22 N31 118.6(3) . . ?
C23 C22 N31 120.4(3) . . ?
C24 C23 C22 119.7(4) . . ?
C23 C24 C25 119.3(4) . . ?
C26 C25 C24 118.4(4) . . ?
C25 C26 N21 123.6(4) . . ?
C32 C31 C36 119.1(3) . . ?
C32 C31 N31 118.7(3) . . ?
C36 C31 N31 122.2(3) . . ?
C33 C32 C31 121.0(4) . . ?
C32 C33 C34 121.0(3) . . ?
N41 C34 C33 121.8(4) . . ?
N41 C34 C35 121.0(4) . . ?
C33 C34 C35 117.2(3) . . ?
C36 C35 C34 121.1(4) . . ?
C35 C36 C31 120.6(4) . . ?
O51 C51 Re1 176.9(4) . . ?
O61 C61 Re1 177.7(4) . . ?
O71 C71 Re1 175.8(3) . . ?
C161 Re2 C171 88.61(16) . . ?
C161 Re2 C151 91.05(16) . . ?
C171 Re2 C151 87.54(16) . . ?
C161 Re2 N121 91.34(13) . . ?
C171 Re2 N121 99.97(13) . . ?
C151 Re2 N121 172.16(14) . . ?
C161 Re2 N111 92.49(13) . . ?
C171 Re2 N111 178.69(14) . . ?
C151 Re2 N111 93.16(14) . . ?
N121 Re2 N111 79.29(11) . . ?
C161 Re2 Cl2 177.74(11) . . ?
C171 Re2 Cl2 91.97(12) . . ?
C151 Re2 Cl2 91.15(12) . . ?
N121 Re2 Cl2 86.41(8) . . ?
N111 Re2 Cl2 86.91(8) . . ?
C112 N111 C116 118.1(3) . . ?
C112 N111 Re2 121.6(2) . . ?
C116 N111 Re2 117.7(2) . . ?
C122 N121 C126 117.8(3) . . ?
C122 N121 Re2 123.4(2) . . ?
C126 N121 Re2 118.7(2) . . ?
C112 N131 C122 124.3(3) . . ?
C112 N131 C131 116.2(3) . . ?
C122 N131 C131 117.4(3) . . ?
C134 N141 C142 120.9(4) . . ?
C134 N141 C143 119.4(4) . . ?
C142 N141 C143 118.4(4) . . ?
N111 C112 C113 120.6(4) . . ?
N111 C112 N131 118.6(3) . . ?
C113 C112 N131 120.8(3) . . ?
C114 C113 C112 119.4(4) . . ?
C113 C114 C115 120.1(4) . . ?
C116 C115 C114 117.9(4) . . ?
C115 C116 N111 123.2(4) . . ?
N121 C122 C123 120.8(3) . . ?
N121 C122 N131 119.5(3) . . ?
C123 C122 N131 119.6(3) . . ?
C124 C123 C122 119.9(4) . . ?
C123 C124 C125 119.5(4) . . ?
C126 C125 C124 118.0(4) . . ?
N121 C126 C125 123.9(4) . . ?
C136 C131 C132 119.6(4) . . ?
C136 C131 N131 118.6(3) . . ?
C132 C131 N131 121.7(3) . . ?
C131 C132 C133 121.1(4) . . ?
C132 C133 C134 119.9(4) . . ?
N141 C134 C135 120.8(4) . . ?
N141 C134 C133 121.5(4) . . ?
C135 C134 C133 117.8(4) . . ?
C136 C135 C134 121.3(4) . . ?
C131 C136 C135 120.3(4) . . ?
O151 C151 Re2 175.7(3) . . ?
O161 C161 Re2 179.0(4) . . ?
O171 C171 Re2 178.7(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
Re1 C61 1.905(4) . ?
Re1 C71 1.906(4) . ?
Re1 C51 1.907(5) . ?
Re1 N11 2.178(3) . ?
Re1 N21 2.182(3) . ?
Re1 Cl1 2.4666(11) . ?
O51 C51 1.158(5) . ?
O61 C61 1.162(5) . ?
O71 C71 1.152(4) . ?
N11 C12 1.338(5) . ?
N11 C16 1.358(5) . ?
N21 C22 1.342(5) . ?
N21 C26 1.361(5) . ?
N31 C22 1.412(5) . ?
N31 C12 1.425(5) . ?
N31 C31 1.458(5) . ?
N41 C34 1.365(5) . ?
N41 C42 1.446(6) . ?
N41 C43 1.452(5) . ?
C12 C13 1.387(5) . ?
C13 C14 1.376(5) . ?
C14 C15 1.381(5) . ?
C15 C16 1.367(5) . ?
C22 C23 1.399(5) . ?
C23 C24 1.366(6) . ?
C24 C25 1.382(6) . ?
C25 C26 1.357(6) . ?
C31 C32 1.384(5) . ?
C31 C36 1.387(5) . ?
C32 C33 1.378(5) . ?
C33 C34 1.406(5) . ?
C34 C35 1.410(5) . ?
C35 C36 1.379(5) . ?
Re2 C161 1.912(4) . ?
Re2 C171 1.914(4) . ?
Re2 C151 1.932(4) . ?
Re2 N121 2.188(3) . ?
Re2 N111 2.191(3) . ?
Re2 Cl2 2.4765(10) . ?
O151 C151 1.142(5) . ?
O161 C161 1.148(4) . ?
O171 C171 1.152(5) . ?
N111 C112 1.341(5) . ?
N111 C116 1.363(5) . ?
N121 C122 1.348(4) . ?
N121 C126 1.359(5) . ?
N131 C112 1.404(5) . ?
N131 C122 1.418(4) . ?
N131 C131 1.456(4) . ?
N141 C134 1.378(5) . ?
N141 C142 1.436(6) . ?
N141 C143 1.458(6) . ?
C112 C113 1.399(5) . ?
C113 C114 1.363(5) . ?
C114 C115 1.382(6) . ?
C115 C116 1.360(5) . ?
C122 C123 1.397(5) . ?
C123 C124 1.374(5) . ?
C124 C125 1.380(5) . ?
C125 C126 1.368(5) . ?
C131 C136 1.374(5) . ?
C131 C132 1.377(5) . ?
C132 C133 1.389(5) . ?
C133 C134 1.416(6) . ?
C134 C135 1.392(6) . ?
C135 C136 1.392(5) . ?
