#------------------------------------------------------------------------------
#$Date: 2019-11-23 09:43:05 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232761 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/54/7235401.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_7235401
loop_
_publ_author_name
'Mirzaei, Masoud'
'Eshtiagh-Hosseini, Hossein'
'Karrabi, Zahra'
'Molčanov, Krešimir'
'Eydizadeh, Ehsan'
'Mague, Joel T.'
'Bauzá, Antonio'
'Frontera, Antonio'
_publ_section_title
;
 Crystal engineering with coordination compounds of NiII, CoII, and CrIII
 bearing dipicolinic acid driven by the nature of the noncovalent
 interactions
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              5352
_journal_paper_doi               10.1039/c4ce00325j
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety
'2(C14 H6 Cr N2 O8), 2(C13 H11 N2), 6(H2 O), 0.55(O), H'
_chemical_formula_sum            'C54 H47 Cr2 N8 O22.55'
_chemical_formula_weight         1272.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_date             2013-04-18
_audit_creation_method
;
  Olex2 1.2
  (compiled May  9 2012 12:37:22, GUI svn.r4230)
;
_cell_angle_alpha                90
_cell_angle_beta                 119.555(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.1399(9)
_cell_length_b                   9.6985(2)
_cell_length_c                   18.5587(5)
_cell_measurement_reflns_used    8987
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.7516
_cell_measurement_theta_min      2.8889
_cell_volume                     5501.9(3)
_computing_cell_refinement
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
        (compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Xcalibur, Ruby, Nova'
_diffrn_measurement_method       'CCD, ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15534
_diffrn_reflns_theta_full        75.94
_diffrn_reflns_theta_max         75.94
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    4.051
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.48837
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2621.6
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.351
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5685
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_gt           0.0365
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0685P)²+0.9007P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.108
_reflns_number_gt                5186
_reflns_number_total             5685
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00325j1.cif
_cod_data_source_block           iran-ee-1
_cod_original_cell_volume        5501.9(2)
_cod_database_code               7235401
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 '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_calc_flag
_atom_site_refinement_flags
Cr1 Cr 0.634658(7) 0.27850(3) 0.478005(14) 0.03574(10) Uani 1 d .
O1 O 0.60336(4) 0.12607(13) 0.39937(7) 0.0460(3) Uani 1 d .
O2 O 0.60156(7) -0.0009(2) 0.29770(12) 0.0804(5) Uani 1 d .
O3 O 0.67721(4) 0.43175(14) 0.53041(7) 0.0466(3) Uani 1 d .
O4 O 0.73570(5) 0.53489(17) 0.53698(9) 0.0615(4) Uani 1 d D
O5 O 0.67197(4) 0.14873(14) 0.56839(8) 0.0477(3) Uani 1 d .
O6 O 0.67830(5) 0.03770(17) 0.67905(8) 0.0602(4) Uani 1 d .
O7 O 0.58419(4) 0.40547(13) 0.41094(7) 0.0436(3) Uani 1 d .
O8 O 0.52427(4) 0.50100(16) 0.40278(8) 0.0552(3) Uani 1 d .
N1 N 0.66724(4) 0.26977(14) 0.41672(8) 0.0380(3) Uani 1 d .
N2 N 0.60252(4) 0.27106(13) 0.54005(8) 0.0357(3) Uani 1 d .
N3 N 0.65516(5) 0.43999(18) 0.16586(11) 0.0553(4) Uani 1 d .
H3 H 0.6765 0.4545 0.1566 0.066 Uiso 1 calc R
N4 N 0.56062(5) 0.34403(19) 0.22687(10) 0.0556(4) Uani 1 d .
H4A H 0.5605 0.3857 0.2677 0.067 Uiso 1 calc R
H4B H 0.5423 0.2787 0.2016 0.067 Uiso 1 calc R
C1 C 0.65601(6) 0.17232(18) 0.35896(10) 0.0425(3) Uani 1 d .
C2 C 0.67950(7) 0.1584(2) 0.31741(12) 0.0524(4) Uani 1 d .
H2 H 0.672 0.0918 0.2766 0.063 Uiso 1 calc R
C3 C 0.71444(7) 0.2468(2) 0.33860(13) 0.0562(5) Uani 1 d .
H3A H 0.7306 0.2392 0.3115 0.067 Uiso 1 calc R
C4 C 0.72580(6) 0.3467(2) 0.39969(12) 0.0512(4) Uani 1 d .
H4 H 0.7494 0.4053 0.4142 0.061 Uiso 1 calc R
C5 C 0.70066(5) 0.35572(18) 0.43819(10) 0.0412(3) Uani 1 d .
C6 C 0.61727(6) 0.08918(19) 0.34896(11) 0.0489(4) Uani 1 d .
C7 C 0.70598(5) 0.45100(19) 0.50711(10) 0.0443(3) Uani 1 d .
C8 C 0.61709(5) 0.18518(17) 0.60420(9) 0.0385(3) Uani 1 d .
C9 C 0.59406(6) 0.16931(19) 0.64640(10) 0.0464(4) Uani 1 d .
H9 H 0.6036 0.1088 0.6909 0.056 Uiso 1 calc R
C10 C 0.55626(7) 0.2465(2) 0.62016(12) 0.0500(4) Uani 1 d .
H10 H 0.5403 0.2384 0.6478 0.06 Uiso 1 calc R
C11 C 0.54179(6) 0.33599(19) 0.55306(11) 0.0451(4) Uani 1 d .
H11 H 0.5166 0.3883 0.5357 0.054 Uiso 1 calc R
C12 C 0.56597(5) 0.34473(16) 0.51301(9) 0.0374(3) Uani 1 d .
C13 C 0.65924(5) 0.11537(18) 0.62081(10) 0.0435(3) Uani 1 d .
C14 C 0.55634(5) 0.42634(17) 0.43633(9) 0.0400(3) Uani 1 d .
C15 C 0.62481(6) 0.3436(2) 0.11980(12) 0.0510(4) Uani 1 d .
C16 C 0.62822(8) 0.2752(2) 0.05640(15) 0.0647(5) Uani 1 d .
H16 H 0.6511 0.2956 0.0465 0.078 Uiso 1 calc R
C17 C 0.59762(9) 0.1787(3) 0.00953(15) 0.0710(6) Uani 1 d .
H17 H 0.5995 0.1347 -0.0331 0.085 Uiso 1 calc R
C18 C 0.56334(8) 0.1447(3) 0.02464(14) 0.0682(5) Uani 1 d .
H18 H 0.5428 0.0786 -0.0078 0.082 Uiso 1 calc R
C19 C 0.56008(7) 0.2085(2) 0.08677(13) 0.0584(5) Uani 1 d .
H19 H 0.5375 0.1845 0.0969 0.07 Uiso 1 calc R
C20 C 0.59053(6) 0.3108(2) 0.13598(11) 0.0468(4) Uani 1 d .
C21 C 0.58902(6) 0.38050(19) 0.20292(11) 0.0462(4) Uani 1 d .
C22 C 0.61966(6) 0.48931(19) 0.24480(11) 0.0467(4) Uani 1 d .
C23 C 0.61829(7) 0.5742(2) 0.30591(12) 0.0556(4) Uani 1 d .
H23 H 0.5959 0.5623 0.3183 0.067 Uiso 1 calc R
C24 C 0.64910(9) 0.6722(2) 0.34636(14) 0.0650(5) Uani 1 d .
H24 H 0.6475 0.7266 0.3861 0.078 Uiso 1 calc R
C25 C 0.68314(9) 0.6927(2) 0.32923(15) 0.0685(6) Uani 1 d .
H25 H 0.7044 0.759 0.3584 0.082 Uiso 1 calc R
C26 C 0.68540(7) 0.6161(2) 0.26990(14) 0.0625(5) Uani 1 d .
H26 H 0.708 0.6308 0.2584 0.075 Uiso 1 calc R
C27 C 0.65327(6) 0.51409(19) 0.22564(12) 0.0497(4) Uani 1 d .
O9 O 0.51030(6) 0.1275(2) 0.35000(14) 0.0883(6) Uani 1 d D
H9A H 0.4953(9) 0.054(3) 0.3180(17) 0.087(9) Uiso 1 d D
H9B H 0.5393(6) 0.131(4) 0.363(2) 0.116(13) Uiso 1 d D
O10 O 0.5 0.6322(3) 0.25 0.0953(10) Uani 1 d SD
H10A H 0.5084(19) 0.572(4) 0.293(2) 0.08 Uiso 0.5 d PD
H10B H 0.5 0.727(2) 0.25 0.1 Uiso 1 d SD
O11 O 0.51987(12) 0.9038(4) 0.2602(3) 0.0837(10) Uani 0.5 d PD
H11A H 0.5490(8) 0.895(5) 0.276(3) 0.2 Uiso 1 d D
O12 O 0.73877(5) 0.4044(3) 0.18939(12) 0.0920(7) Uani 1 d D
H12A H 0.7392(15) 0.428(5) 0.1406(18) 0.166(19) Uiso 1 d D
H12B H 0.7624(13) 0.443(6) 0.236(2) 0.19(2) Uiso 1 d D
O13 O 0.8088(3) 0.6036(10) 0.5064(7) 0.107(4) Uani 0.275(7) d PD
H13A H 0.7896 0.5787 0.529 0.2 Uiso 0.25 d PD
H13B H 0.7886(16) 0.614(10) 0.4491(16) 0.05(2) Uiso 0.25 d PD
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 0 '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'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 '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
O1 Cr1 O3 157.84(5) .
O1 Cr1 O5 92.55(6) .
O1 Cr1 O7 90.08(5) .
O3 Cr1 O7 93.78(5) .
O5 Cr1 O3 92.10(5) .
O5 Cr1 O7 157.66(5) .
N1 Cr1 O1 79.22(5) .
N1 Cr1 O3 78.69(5) .
N1 Cr1 O5 97.50(5) .
N1 Cr1 O7 104.78(5) .
N2 Cr1 O1 97.63(5) .
N2 Cr1 O3 104.52(5) .
N2 Cr1 O5 79.24(5) .
N2 Cr1 O7 78.43(5) .
N2 Cr1 N1 175.42(6) .
C6 O1 Cr1 117.70(12) .
C7 O3 Cr1 117.85(11) .
C13 O5 Cr1 117.61(11) .
C14 O7 Cr1 117.73(10) .
C1 N1 Cr1 117.87(11) .
C5 N1 Cr1 118.52(11) .
C5 N1 C1 123.49(14) .
C8 N2 Cr1 117.82(11) .
C8 N2 C12 123.12(13) .
C12 N2 Cr1 118.92(10) .
C15 N3 H3 118.6 .
C27 N3 C15 122.80(17) .
C27 N3 H3 118.6 .
C21 N4 H4A 120 .
C21 N4 H4B 120 .
H4A N4 H4B 120 .
N1 C1 C2 119.65(17) .
N1 C1 C6 111.57(14) .
C2 C1 C6 128.78(17) .
C1 C2 H2 121 .
C3 C2 H2 121 .
C3 C2 C1 117.97(18) .
C2 C3 C4 121.31(16) .
C2 C3 H3A 119.3 .
C4 C3 H3A 119.3 .
C3 C4 H4 121.2 .
C5 C4 C3 117.66(18) .
C5 C4 H4 121.2 .
N1 C5 C4 119.91(17) .
N1 C5 C7 111.02(13) .
C4 C5 C7 129.05(17) .
O1 C6 C1 113.56(15) .
O2 C6 O1 125.32(19) .
O2 C6 C1 121.12(17) .
O3 C7 C5 113.77(14) .
O4 C7 O3 125.38(17) .
O4 C7 C5 120.83(16) .
N2 C8 C9 120.08(15) .
N2 C8 C13 111.57(13) .
C9 C8 C13 128.35(15) .
C8 C9 C10 117.84(16) .
C8 C9 H9 121.1 .
C10 C9 H9 121.1 .
C9 C10 C11 120.96(15) .
C9 C10 H10 119.5 .
C11 C10 H10 119.5 .
C10 C11 H11 121 .
C12 C11 C10 118.03(16) .
C12 C11 H11 121 .
N2 C12 C11 119.95(15) .
N2 C12 C14 111.19(13) .
C11 C12 C14 128.82(15) .
O5 C13 C8 113.60(14) .
O6 C13 O5 125.50(17) .
O6 C13 C8 120.90(16) .
O7 C14 C12 113.69(13) .
O8 C14 O7 125.49(15) .
O8 C14 C12 120.79(14) .
N3 C15 C16 119.12(19) .
N3 C15 C20 120.57(18) .
C16 C15 C20 120.3(2) .
C15 C16 H16 120.3 .
C17 C16 C15 119.4(2) .
C17 C16 H16 120.3 .
C16 C17 H17 119.4 .
C16 C17 C18 121.1(2) .
C18 C17 H17 119.4 .
C17 C18 H18 120 .
C19 C18 C17 120.1(2) .
C19 C18 H18 120 .
C18 C19 C20 120.8(2) .
C18 C19 H19 119.6 .
C20 C19 H19 119.6 .
C15 C20 C21 118.41(18) .
C19 C20 C15 118.26(19) .
C19 C20 C21 123.31(18) .
N4 C21 C20 121.26(18) .
N4 C21 C22 120.24(18) .
C22 C21 C20 118.49(16) .
C23 C22 C21 123.18(17) .
C27 C22 C21 119.16(18) .
C27 C22 C23 117.66(19) .
C22 C23 H23 119.5 .
C24 C23 C22 121.0(2) .
C24 C23 H23 119.5 .
C23 C24 C25 120.9(2) .
C23 C24 H24 119.5 .
C25 C24 H24 119.5 .
C24 C25 H25 119.8 .
C26 C25 C24 120.3(2) .
C26 C25 H25 119.8 .
C27 C26 H26 120 .
C25 C26 C27 120.1(2) .
C25 C26 H26 120 .
N3 C27 C22 120.17(19) .
N3 C27 C26 119.93(18) .
C22 C27 C26 119.9(2) .
H9A O9 H9B 114(3) .
H10A O10 H10B 130(3) .
O11 O11 H11A 175(3) 2_655
H12B O12 H12A 111(3) .
H13A O13 H13B 102(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 O1 1.9853(12) .
Cr1 O3 1.9890(13) .
Cr1 O5 1.9868(12) .
Cr1 O7 2.0082(11) .
Cr1 N1 1.9740(13) .
Cr1 N2 1.9722(13) .
O1 C6 1.301(2) .
O2 C6 1.206(2) .
O3 C7 1.294(2) .
O6 C13 1.213(2) .
O7 C14 1.2945(19) .
O8 C14 1.220(2) .
N1 C1 1.334(2) .
N1 C5 1.331(2) .
N2 C8 1.331(2) .
N2 C12 1.333(2) .
N3 C15 1.358(3) .
N3 C27 1.351(3) .
N3 H3 0.86 .
N4 H4A 0.86 .
N4 H4B 0.86 .
C1 C6 1.513(3) .
C2 C1 1.386(2) .
C2 C3 1.386(3) .
C2 H2 0.93 .
C3 H3A 0.93 .
C4 C3 1.392(3) .
C4 H4 0.93 .
C5 C4 1.386(2) .
C5 C7 1.513(2) .
C7 O4 1.220(2) .
C8 C9 1.385(2) .
C9 H9 0.93 .
C10 C9 1.387(3) .
C10 C11 1.392(3) .
C10 H10 0.93 .
C11 H11 0.93 .
C12 C11 1.380(2) .
C12 C14 1.514(2) .
C13 O5 1.296(2) .
C13 C8 1.516(2) .
C15 C16 1.406(3) .
C16 C17 1.366(4) .
C16 H16 0.93 .
C17 C18 1.404(4) .
C17 H17 0.93 .
C18 H18 0.93 .
C19 C18 1.362(3) .
C19 C20 1.414(3) .
C19 H19 0.93 .
C20 C15 1.414(3) .
C21 N4 1.325(2) .
C21 C20 1.438(3) .
C21 C22 1.432(3) .
C22 C27 1.412(3) .
C23 C22 1.421(3) .
C23 C24 1.356(3) .
C23 H23 0.93 .
C24 C25 1.395(4) .
C24 H24 0.93 .
C25 C26 1.363(4) .
C25 H25 0.93 .
C26 H26 0.93 .
C27 C26 1.419(3) .
O9 H9A 0.908(17) .
O9 H9B 0.928(18) .
O10 H10A 0.909(19) .
O10 H10B 0.923(19) .
O11 O11 1.254(8) 2_655
O11 H11A 0.922(19) .
O12 H12B 0.933(19) .
O12 H12A 0.941(19) .
O13 H13A 0.985(7) .
O13 H13B 0.95(2) .
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
Cr1 O1 C6 C1 -0.4(2)
Cr1 O1 C6 O2 -179.69(19)
Cr1 O3 C7 O4 -175.31(15)
Cr1 O3 C7 C5 3.37(18)
Cr1 O7 C14 O8 179.51(14)
Cr1 O7 C14 C12 -2.18(18)
Cr1 N1 C1 C2 -176.83(13)
Cr1 N1 C1 C6 2.98(18)
Cr1 N1 C5 C4 176.19(12)
Cr1 N1 C5 C7 -2.09(17)
Cr1 N2 C8 C9 -175.72(12)
Cr1 N2 C8 C13 4.35(17)
Cr1 N2 C12 C11 176.86(12)
Cr1 N2 C12 C14 -1.11(17)
O1 Cr1 O3 C7 -8.3(2)
O1 Cr1 O5 C13 -94.80(13)
O1 Cr1 O7 C14 99.05(12)
O1 Cr1 N1 C1 -2.56(12)
O1 Cr1 N1 C5 -178.84(12)
O1 Cr1 N2 C8 87.31(12)
O1 Cr1 N2 C12 -88.46(12)
O3 Cr1 O1 C6 6.3(2)
O3 Cr1 O5 C13 106.88(13)
O3 Cr1 O7 C14 -102.79(12)
O3 Cr1 N1 C1 179.28(12)
O3 Cr1 N1 C5 3.00(11)
O3 Cr1 N2 C12 90.99(12)
O3 Cr1 N2 C8 -93.25(12)
O5 Cr1 O3 C7 93.73(12)
O5 Cr1 O7 C14 2.1(2)
O5 C13 C8 N2 -2.2(2)
O5 C13 C8 C9 177.89(17)
O5 Cr1 N2 C8 -3.86(11)
O5 Cr1 N2 C12 -179.62(12)
O5 Cr1 O1 C6 -95.62(13)
O6 C13 O5 Cr1 179.95(15)
O6 C13 C8 N2 177.00(17)
O6 C13 C8 C9 -2.9(3)
O5 Cr1 N1 C1 88.63(12)
O5 Cr1 N1 C5 -87.65(12)
O7 Cr1 O1 C6 106.57(13)
O7 Cr1 O3 C7 -107.83(12)
O7 Cr1 O5 C13 1.6(2)
O7 Cr1 N1 C1 -89.76(12)
O7 Cr1 N1 C5 93.96(12)
O7 Cr1 N2 C8 175.81(12)
O7 Cr1 N2 C12 0.05(11)
N1 Cr1 O1 C6 1.53(13)
N1 Cr1 O3 C7 -3.50(12)
N1 Cr1 O5 C13 -174.26(13)
N1 Cr1 O7 C14 177.91(12)
N1 Cr1 N2 C12 -134.8(6)
N1 Cr1 N2 C8 41.0(7)
N1 C1 C6 O1 -1.6(2)
N1 C1 C6 O2 177.7(2)
N1 C5 C4 C3 0.5(2)
N1 C5 C7 O3 -0.8(2)
N1 C5 C7 O4 177.91(16)
N2 Cr1 O1 C6 -175.10(13)
N2 Cr1 O3 C7 173.15(12)
N2 Cr1 O5 C13 2.49(12)
N2 Cr1 O7 C14 1.27(12)
N2 Cr1 N1 C1 44.3(7)
N2 Cr1 N1 C5 -132.0(6)
N2 C8 C9 C10 -0.8(2)
N2 C12 C11 C10 -1.5(2)
N2 C12 C14 O7 2.10(19)
N2 C12 C14 O8 -179.50(15)
N3 C15 C16 C17 -179.6(2)
N3 C27 C26 C25 178.8(2)
N4 C21 C20 C15 -172.71(16)
N4 C21 C20 C19 5.7(3)
N4 C21 C22 C23 -7.8(3)
N4 C21 C22 C27 171.63(16)
C1 N1 C5 C4 0.1(2)
C1 N1 C5 C7 -178.15(14)
C1 C2 C3 C4 0.0(3)
C2 C1 C6 O1 178.15(17)
C2 C1 C6 O2 -2.5(3)
C3 C2 C1 N1 0.7(3)
C3 C2 C1 C6 -179.12(17)
C4 C5 C7 O3 -178.92(16)
C4 C5 C7 O4 -0.2(3)
C5 N1 C1 C2 -0.7(2)
C5 N1 C1 C6 179.06(14)
C5 C4 C3 C2 -0.6(3)
C7 C5 C4 C3 178.48(16)
C8 N2 C12 C14 -176.64(14)
C8 N2 C12 C11 1.3(2)
C8 C13 O5 Cr1 -0.91(19)
C9 C10 C11 C12 0.5(3)
C11 C10 C9 C8 0.6(3)
C11 C12 C14 O7 -175.65(16)
C11 C12 C14 O8 2.8(3)
C12 N2 C8 C9 -0.1(2)
C12 N2 C8 C13 179.92(14)
C13 C8 C9 C10 179.10(16)
C14 C12 C11 C10 176.09(16)
C15 N3 C27 C22 2.5(3)
C15 N3 C27 C26 -178.17(18)
C15 C16 C17 C18 -1.2(4)
C16 C17 C18 C19 0.1(4)
C18 C19 C20 C21 -179.31(19)
C18 C19 C20 C15 -0.9(3)
C19 C20 C15 N3 -179.30(17)
C19 C20 C15 C16 -0.2(3)
C20 C21 C22 C23 173.43(16)
C20 C21 C22 C27 -7.1(2)
C20 C19 C18 C17 1.0(3)
C20 C15 C16 C17 1.2(3)
C21 C22 C27 N3 3.0(3)
C21 C22 C27 C26 -176.37(16)
C21 C20 C15 N3 -0.8(3)
C21 C20 C15 C16 178.29(17)
C22 C21 C20 C19 -175.59(16)
C22 C21 C20 C15 6.0(2)
C22 C23 C24 C25 0.0(3)
C22 C27 C26 C25 -1.8(3)
C23 C22 C27 N3 -177.51(16)
C23 C22 C27 C26 3.1(3)
C23 C24 C25 C26 1.5(3)
C24 C23 C22 C21 177.23(18)
C24 C23 C22 C27 -2.3(3)
C24 C25 C26 C27 -0.6(3)
C27 N3 C15 C20 -3.6(3)
C27 N3 C15 C16 177.31(18)
