#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:37:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179799 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/95/7009595.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_7009595
loop_
_publ_author_name
'Claramunt, Albert'
'Escuer, Albert'
'Mautner, Franz A.'
'Sanz, Núria'
'Vicente, Ramon'
_publ_section_title
;
 Two new one-dimensional systems with end-to-end single dicyanamide
 bridges between manganese(II) centres: structural and magnetic
 properties
;
_journal_issue                   15
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2627
_journal_paper_doi               10.1039/b002214o
_journal_year                    2000
_chemical_formula_sum            'C17 H11 Mn N7 O3'
_chemical_formula_weight         416.27
_chemical_name_common            '[Mn(terpy)(N(CN)2)(NO3)]n'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 96.05(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.825(3)
_cell_length_b                   13.928(4)
_cell_length_c                   14.650(4)
_cell_measurement_reflns_used    53
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      11.8
_cell_measurement_theta_min      5.4
_cell_volume                     1790.7(9)
_computing_molecular_graphics    'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_publication_material  'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'mod. STOE 4-circle diffractometer'
_diffrn_measurement_method       'Omega-scan; delta Omega: 1.25 deg.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4467
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.80
_diffrn_standards_decay_%        6
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  '1 h'
_diffrn_standards_number         '3  (-2 -1 6; 0 -2 -16; -2 -2 0)'
_exptl_absorpt_coefficient_mu    0.772
_exptl_absorpt_correction_type   'none  (mu.x = 0.24)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_meas      1.53(3)
_exptl_crystal_density_method    'suspension method'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.666
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.060
_refine_ls_goodness_of_fit_obs   1.085
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_restrained_S_obs      1.085
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_obs          0.0553
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0904P)²+0.1193P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1712
_refine_ls_wR_factor_obs         0.1436
_reflns_number_observed          2760
_reflns_number_total             3718
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b002214o.txt
_cod_data_source_block           ns168a
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0904P)^2^+0.1193P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0904P)^2^+0.1193P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7009595
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.22511(6) 0.25907(4) 0.94703(3) 0.0363(2) Uani 1 d . .
N1 N 0.2232(4) 0.4247(2) 1.0496(2) 0.0537(8) Uani 1 d . .
O1 O 0.1209(4) 0.3619(2) 1.0451(2) 0.0631(8) Uani 1 d . .
O2 O 0.3321(4) 0.4081(3) 1.0031(2) 0.0682(9) Uani 1 d . .
O3 O 0.2178(5) 0.4947(3) 1.0973(3) 0.0976(13) Uani 1 d . .
N2 N 0.3519(4) 0.1848(3) 1.0633(2) 0.0553(9) Uani 1 d . .
C1 C 0.4126(4) 0.1459(3) 1.1247(2) 0.0426(8) Uani 1 d . .
N3 N 0.4793(5) 0.0922(3) 1.1895(2) 0.0678(12) Uani 1 d . .
C2 C 0.0450(4) 0.3693(3) 0.7644(2) 0.0411(8) Uani 1 d . .
N4 N 0.1045(4) 0.3428(2) 0.8327(2) 0.0484(8) Uani 1 d . .
N5 N 0.0090(3) 0.1711(2) 0.9691(2) 0.0460(7) Uani 1 d . .
C3 C -0.0730(5) 0.1836(3) 1.0392(3) 0.0593(11) Uani 1 d . .
H3 H -0.0431(5) 0.2315(3) 1.0816(3) 0.071 Uiso 1 calc R .
C4 C -0.1998(5) 0.1299(4) 1.0526(4) 0.0744(14) Uani 1 d . .
H4 H -0.2535(5) 0.1406(4) 1.1030(4) 0.089 Uiso 1 calc R .
C5 C -0.2439(6) 0.0606(4) 0.9899(4) 0.0766(15) Uani 1 d . .
H5 H -0.3298(6) 0.0237(4) 0.9964(4) 0.092 Uiso 1 calc R .
C6 C -0.1614(5) 0.0456(3) 0.9171(4) 0.0633(12) Uani 1 d . .
H6 H -0.1902(5) -0.0020(3) 0.8742(4) 0.076 Uiso 1 calc R .
C7 C -0.0348(4) 0.1018(3) 0.9080(3) 0.0474(9) Uani 1 d . .
C8 C 0.0620(4) 0.0905(3) 0.8324(3) 0.0478(9) Uani 1 d . .
N6 N 0.1968(3) 0.1363(2) 0.8447(2) 0.0419(7) Uani 1 d . .
C9 C 0.0192(6) 0.0401(3) 0.7531(3) 0.0666(13) Uani 1 d . .
H9 H -0.0750(6) 0.0095(3) 0.7447(3) 0.080 Uiso 1 calc R .
C10 C 0.1179(7) 0.0356(4) 0.6865(3) 0.0769(15) Uani 1 d . .
H10 H 0.0904(7) 0.0022(4) 0.6323(3) 0.092 Uiso 1 calc R .
C11 C 0.2556(6) 0.0800(3) 0.6999(3) 0.0631(12) Uani 1 d . .
H11 H 0.3237(6) 0.0762(3) 0.6557(3) 0.076 Uiso 1 calc R .
C12 C 0.2932(5) 0.1311(3) 0.7803(2) 0.0452(9) Uani 1 d . .
C13 C 0.4381(4) 0.1855(3) 0.8013(2) 0.0446(8) Uani 1 d . .
C14 C 0.5629(5) 0.1714(3) 0.7546(3) 0.0557(10) Uani 1 d . .
H14 H 0.5604(5) 0.1256(3) 0.7083(3) 0.067 Uiso 1 calc R .
C15 C 0.6927(6) 0.2257(4) 0.7771(4) 0.0667(13) Uani 1 d . .
H15 H 0.7783(6) 0.2172(4) 0.7460(4) 0.080 Uiso 1 calc R .
C16 C 0.6931(5) 0.2924(3) 0.8460(3) 0.0611(11) Uani 1 d . .
H16 H 0.7783(5) 0.3305(3) 0.8619(3) 0.073 Uiso 1 calc R .
C17 C 0.5653(4) 0.3018(3) 0.8911(3) 0.0509(9) Uani 1 d . .
H17 H 0.5671(4) 0.3462(3) 0.9387(3) 0.061 Uiso 1 calc R .
N7 N 0.4378(4) 0.2502(2) 0.8702(2) 0.0429(7) Uani 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'
Mn Mn 0.3368 0.7283 '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'
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
N2 Mn1 N4 176.31(13) . . yes
N2 Mn1 N6 99.71(12) . . yes
N4 Mn1 N6 83.51(12) . . yes
N2 Mn1 O1 90.78(13) . . yes
N4 Mn1 O1 87.26(12) . . yes
N6 Mn1 O1 149.57(11) . . yes
N2 Mn1 N7 88.77(13) . . yes
N4 Mn1 N7 90.60(12) . . yes
N6 Mn1 N7 70.96(11) . . yes
O1 Mn1 N7 138.25(11) . . yes
N2 Mn1 N5 90.11(12) . . yes
N4 Mn1 N5 92.70(12) . . yes
N6 Mn1 N5 70.08(12) . . yes
O1 Mn1 N5 81.51(11) . . yes
N7 Mn1 N5 140.23(12) . . yes
N2 Mn1 O2 89.55(13) . . yes
N4 Mn1 O2 86.76(12) . . yes
N6 Mn1 O2 153.27(12) . . yes
O1 Mn1 O2 53.91(11) . . yes
N7 Mn1 O2 84.34(11) . . yes
N5 Mn1 O2 135.41(12) . . yes
O3 N1 O1 121.6(4) . . yes
O3 N1 O2 122.8(4) . . yes
O1 N1 O2 115.5(3) . . yes
N1 O1 Mn1 97.8(2) . . yes
N1 O2 Mn1 92.8(2) . . yes
C1 N2 Mn1 177.5(3) . . yes
N2 C1 N3 173.3(4) . . yes
C2 N3 C1 120.4(4) 4_666 . yes
N4 C2 N3 174.5(4) . 4_565 yes
C2 N4 Mn1 166.3(3) . . yes
C3 N5 C7 117.8(3) . . ?
C3 N5 Mn1 124.2(3) . . ?
C7 N5 Mn1 118.0(3) . . ?
N5 C3 C4 123.8(4) . . ?
N5 C3 H3 118.1(2) . . ?
C4 C3 H3 118.1(3) . . ?
C5 C4 C3 117.9(5) . . ?
C5 C4 H4 121.1(3) . . ?
C3 C4 H4 121.1(3) . . ?
C4 C5 C6 119.8(4) . . ?
C4 C5 H5 120.1(3) . . ?
C6 C5 H5 120.1(3) . . ?
C5 C6 C7 119.3(4) . . ?
C5 C6 H6 120.3(3) . . ?
C7 C6 H6 120.3(3) . . ?
N5 C7 C6 121.4(4) . . ?
N5 C7 C8 115.3(3) . . ?
C6 C7 C8 123.3(4) . . ?
N6 C8 C9 121.1(4) . . ?
N6 C8 C7 115.0(3) . . ?
C9 C8 C7 123.9(4) . . ?
C12 N6 C8 120.0(3) . . ?
C12 N6 Mn1 118.2(2) . . ?
C8 N6 Mn1 118.7(3) . . ?
C10 C9 C8 118.9(4) . . ?
C10 C9 H9 120.6(3) . . ?
C8 C9 H9 120.6(3) . . ?
C11 C10 C9 120.0(4) . . ?
C11 C10 H10 120.0(3) . . ?
C9 C10 H10 120.0(3) . . ?
C10 C11 C12 119.1(4) . . ?
C10 C11 H11 120.5(3) . . ?
C12 C11 H11 120.5(3) . . ?
N6 C12 C11 121.0(4) . . ?
N6 C12 C13 115.0(3) . . ?
C11 C12 C13 124.0(4) . . ?
N7 C13 C14 122.2(4) . . ?
N7 C13 C12 115.0(3) . . ?
C14 C13 C12 122.8(4) . . ?
C13 C14 C15 119.4(4) . . ?
C13 C14 H14 120.3(3) . . ?
C15 C14 H14 120.3(3) . . ?
C16 C15 C14 118.9(4) . . ?
C16 C15 H15 120.5(3) . . ?
C14 C15 H15 120.5(3) . . ?
C15 C16 C17 118.7(4) . . ?
C15 C16 H16 120.6(3) . . ?
C17 C16 H16 120.6(3) . . ?
N7 C17 C16 123.4(4) . . ?
N7 C17 H17 118.3(2) . . ?
C16 C17 H17 118.3(3) . . ?
C17 N7 C13 117.3(3) . . ?
C17 N7 Mn1 124.7(3) . . ?
C13 N7 Mn1 118.0(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
Mn1 N2 2.196(3) . yes
Mn1 N4 2.218(3) . yes
Mn1 N6 2.271(3) . yes
Mn1 O1 2.289(3) . yes
Mn1 N7 2.291(3) . yes
Mn1 N5 2.318(3) . yes
Mn1 O2 2.390(3) . yes
N1 O3 1.203(5) . yes
N1 O1 1.253(4) . yes
N1 O2 1.257(5) . yes
N2 C1 1.134(5) . yes
C1 N3 1.300(5) . yes
N3 C2 1.302(5) 4_666 yes
C2 N4 1.141(4) . yes
C2 N3 1.302(5) 4_565 yes
N5 C3 1.328(5) . ?
N5 C7 1.345(5) . ?
C3 C4 1.378(6) . ?
C3 H3 0.93 . ?
C4 C5 1.361(7) . ?
C4 H4 0.93 . ?
C5 C6 1.369(7) . ?
C5 H5 0.93 . ?
C6 C7 1.382(6) . ?
C6 H6 0.93 . ?
C7 C8 1.477(6) . ?
C8 N6 1.345(5) . ?
C8 C9 1.375(5) . ?
N6 C12 1.337(5) . ?
C9 C10 1.377(7) . ?
C9 H9 0.93 . ?
C10 C11 1.360(7) . ?
C10 H10 0.93 . ?
C11 C12 1.387(5) . ?
C11 H11 0.93 . ?
C12 C13 1.490(5) . ?
C13 N7 1.353(5) . ?
C13 C14 1.371(6) . ?
C14 C15 1.384(7) . ?
C14 H14 0.93 . ?
C15 C16 1.372(7) . ?
C15 H15 0.93 . ?
C16 C17 1.372(6) . ?
C16 H16 0.93 . ?
C17 N7 1.344(5) . ?
C17 H17 0.93 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 N1 O1 Mn1 -178.4(4) . . . . ?
O2 N1 O1 Mn1 0.0(4) . . . . ?
N2 Mn1 O1 N1 88.9(2) . . . . ?
N4 Mn1 O1 N1 -88.0(2) . . . . ?
N6 Mn1 O1 N1 -160.2(2) . . . . ?
N7 Mn1 O1 N1 -0.2(3) . . . . ?
N5 Mn1 O1 N1 178.9(2) . . . . ?
O2 Mn1 O1 N1 0.0(2) . . . . ?
O3 N1 O2 Mn1 178.3(4) . . . . ?
O1 N1 O2 Mn1 0.0(3) . . . . ?
N2 Mn1 O2 N1 -91.3(2) . . . . ?
N4 Mn1 O2 N1 89.0(2) . . . . ?
N6 Mn1 O2 N1 157.6(2) . . . . ?
O1 Mn1 O2 N1 0.0(2) . . . . ?
N7 Mn1 O2 N1 179.9(2) . . . . ?
N5 Mn1 O2 N1 -1.6(3) . . . . ?
N4 Mn1 N2 C1 112.0(75) . . . . ?
N6 Mn1 N2 C1 -97.2(77) . . . . ?
O1 Mn1 N2 C1 54.1(77) . . . . ?
N7 Mn1 N2 C1 -167.7(77) . . . . ?
N5 Mn1 N2 C1 -27.4(77) . . . . ?
O2 Mn1 N2 C1 108.0(77) . . . . ?
Mn1 N2 C1 N3 89.9(87) . . . . ?
N2 C1 N3 C2 175.9(35) . . . 4_666 ?
N3 C2 N4 Mn1 -162.5(36) 4_565 . . . ?
N2 Mn1 N4 C2 145.7(19) . . . . ?
N6 Mn1 N4 C2 -5.3(13) . . . . ?
O1 Mn1 N4 C2 -156.2(13) . . . . ?
N7 Mn1 N4 C2 65.5(13) . . . . ?
N5 Mn1 N4 C2 -74.9(13) . . . . ?
O2 Mn1 N4 C2 149.8(13) . . . . ?
N2 Mn1 N5 C3 71.4(3) . . . . ?
N4 Mn1 N5 C3 -106.2(3) . . . . ?
N6 Mn1 N5 C3 171.7(4) . . . . ?
O1 Mn1 N5 C3 -19.4(3) . . . . ?
N7 Mn1 N5 C3 159.6(3) . . . . ?
O2 Mn1 N5 C3 -18.1(4) . . . . ?
N2 Mn1 N5 C7 -107.4(3) . . . . ?
N4 Mn1 N5 C7 75.0(3) . . . . ?
N6 Mn1 N5 C7 -7.1(3) . . . . ?
O1 Mn1 N5 C7 161.8(3) . . . . ?
N7 Mn1 N5 C7 -19.2(4) . . . . ?
O2 Mn1 N5 C7 163.1(2) . . . . ?
C7 N5 C3 C4 0.0(7) . . . . ?
Mn1 N5 C3 C4 -178.8(4) . . . . ?
N5 C3 C4 C5 -0.6(8) . . . . ?
C3 C4 C5 C6 0.9(8) . . . . ?
C4 C5 C6 C7 -0.6(8) . . . . ?
C3 N5 C7 C6 0.3(6) . . . . ?
Mn1 N5 C7 C6 179.2(3) . . . . ?
C3 N5 C7 C8 -179.2(4) . . . . ?
Mn1 N5 C7 C8 -0.3(4) . . . . ?
C5 C6 C7 N5 0.0(7) . . . . ?
C5 C6 C7 C8 179.5(4) . . . . ?
N5 C7 C8 N6 13.2(5) . . . . ?
C6 C7 C8 N6 -166.4(4) . . . . ?
N5 C7 C8 C9 -164.8(4) . . . . ?
C6 C7 C8 C9 15.7(6) . . . . ?
C9 C8 N6 C12 -1.7(6) . . . . ?
C7 C8 N6 C12 -179.8(3) . . . . ?
C9 C8 N6 Mn1 157.8(3) . . . . ?
C7 C8 N6 Mn1 -20.3(4) . . . . ?
N2 Mn1 N6 C12 -98.7(3) . . . . ?
N4 Mn1 N6 C12 79.4(3) . . . . ?
O1 Mn1 N6 C12 152.7(3) . . . . ?
N7 Mn1 N6 C12 -13.5(2) . . . . ?
N5 Mn1 N6 C12 174.7(3) . . . . ?
O2 Mn1 N6 C12 10.1(4) . . . . ?
N2 Mn1 N6 C8 101.4(3) . . . . ?
N4 Mn1 N6 C8 -80.4(3) . . . . ?
O1 Mn1 N6 C8 -7.2(4) . . . . ?
N7 Mn1 N6 C8 -173.3(3) . . . . ?
N5 Mn1 N6 C8 14.8(3) . . . . ?
O2 Mn1 N6 C8 -149.8(3) . . . . ?
N6 C8 C9 C10 1.1(7) . . . . ?
C7 C8 C9 C10 178.9(4) . . . . ?
C8 C9 C10 C11 0.4(8) . . . . ?
C9 C10 C11 C12 -1.3(7) . . . . ?
C8 N6 C12 C11 0.8(5) . . . . ?
Mn1 N6 C12 C11 -158.8(3) . . . . ?
C8 N6 C12 C13 179.5(3) . . . . ?
Mn1 N6 C12 C13 19.9(4) . . . . ?
C10 C11 C12 N6 0.7(6) . . . . ?
C10 C11 C12 C13 -177.8(4) . . . . ?
N6 C12 C13 N7 -15.1(5) . . . . ?
C11 C12 C13 N7 163.4(4) . . . . ?
N6 C12 C13 C14 164.8(3) . . . . ?
C11 C12 C13 C14 -16.6(6) . . . . ?
N7 C13 C14 C15 -1.1(6) . . . . ?
C12 C13 C14 C15 179.0(4) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 C15 C16 C17 1.0(7) . . . . ?
C15 C16 C17 N7 -1.4(7) . . . . ?
C16 C17 N7 C13 0.5(6) . . . . ?
C16 C17 N7 Mn1 177.5(3) . . . . ?
C14 C13 N7 C17 0.8(5) . . . . ?
C12 C13 N7 C17 -179.3(3) . . . . ?
C14 C13 N7 Mn1 -176.5(3) . . . . ?
C12 C13 N7 Mn1 3.4(4) . . . . ?
N2 Mn1 N7 C17 -71.7(3) . . . . ?
N4 Mn1 N7 C17 104.7(3) . . . . ?
N6 Mn1 N7 C17 -172.4(3) . . . . ?
O1 Mn1 N7 C17 18.2(4) . . . . ?
N5 Mn1 N7 C17 -160.4(3) . . . . ?
O2 Mn1 N7 C17 18.0(3) . . . . ?
N2 Mn1 N7 C13 105.4(3) . . . . ?
N4 Mn1 N7 C13 -78.3(3) . . . . ?
N6 Mn1 N7 C13 4.7(2) . . . . ?
O1 Mn1 N7 C13 -164.8(2) . . . . ?
N5 Mn1 N7 C13 16.7(3) . . . . ?
O2 Mn1 N7 C13 -165.0(3) . . . . ?
