#------------------------------------------------------------------------------
#$Date: 2019-11-17 06:24:36 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228399 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/10/7121074.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_7121074
loop_
_publ_author_name
'de Bruin-Dickason, Caspar N'
'Sutcliffe, Thomas'
'Alvarez Lamsfus, Carlos'
'Deacon, Glen B.'
'Maron, Laurent'
'Jones, Cameron'
_publ_section_title
;
 Kinetic stabilisation of a molecular strontium hydride complex using an
 extremely bulky amidinate ligand.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              786
_journal_page_last               789
_journal_paper_doi               10.1039/c7cc09362d
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C65 H79 Mg N2'
_chemical_formula_weight         912.61
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_audit_update_record
;
2017-12-05 deposited with the CCDC.
2018-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.99(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.920(2)
_cell_length_b                   36.006(7)
_cell_length_c                   13.878(3)
_cell_measurement_reflns_used    10788
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.13
_cell_volume                     5294.8(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Apex X8'
_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  0.0846
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            49026
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.993
_exptl_absorpt_correction_T_min  0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1980
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.707
_refine_diff_density_min         -0.390
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         10788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0951
_refine_ls_R_factor_gt           0.0746
_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)+(0.0805P)²+6.7442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1777
_refine_ls_wR_factor_ref         0.1919
_reflns_number_gt                8333
_reflns_number_total             10788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc09362d2.cif
_cod_data_source_block           compound6
_cod_depositor_comments
'Adding full bibliography for 7121071--7121080.cif.'
_cod_original_cell_volume        5294.9(18)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7121074
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
Mg1 Mg 0.42508(8) 0.60720(2) 0.38722(6) 0.0253(2) Uani 1 1 d .
N1 N 0.22992(18) 0.61133(5) 0.36506(14) 0.0216(4) Uani 1 1 d .
C1 C 0.5678(3) 0.59653(8) 0.5145(2) 0.0332(6) Uani 1 1 d .
H1A H 0.6450 0.5900 0.4928 0.040 Uiso 1 1 calc R
H1B H 0.5856 0.6200 0.5523 0.040 Uiso 1 1 calc R
N2 N 0.33391(18) 0.63961(5) 0.26837(14) 0.0213(4) Uani 1 1 d .
C2 C 0.5471(3) 0.56646(8) 0.5862(2) 0.0366(6) Uani 1 1 d .
H2A H 0.5547 0.5419 0.5563 0.044 Uiso 1 1 calc R
H2B H 0.4600 0.5687 0.5949 0.044 Uiso 1 1 calc R
C3 C 0.6405(4) 0.56814(9) 0.6898(2) 0.0484(8) Uani 1 1 d .
H3A H 0.6362 0.5445 0.7254 0.058 Uiso 1 1 calc R
H3B H 0.7275 0.5709 0.6813 0.058 Uiso 1 1 calc R
C4 C 0.6117(4) 0.60026(10) 0.7522(3) 0.0575(9) Uani 1 1 d .
H4A H 0.6095 0.6235 0.7151 0.086 Uiso 1 1 calc R
H4B H 0.6773 0.6018 0.8142 0.086 Uiso 1 1 calc R
H4C H 0.5296 0.5962 0.7673 0.086 Uiso 1 1 calc R
C5 C 0.2194(2) 0.63328(6) 0.28471(16) 0.0192(4) Uani 1 1 d .
C6 C 0.0925(2) 0.64775(6) 0.22035(16) 0.0202(5) Uani 1 1 d .
C7 C 0.0270(2) 0.67377(7) 0.28048(18) 0.0243(5) Uani 1 1 d .
H7A H 0.0806 0.6959 0.3018 0.029 Uiso 1 1 calc R
H7B H 0.0166 0.6607 0.3408 0.029 Uiso 1 1 calc R
C8 C 0.0055(2) 0.61401(7) 0.18461(18) 0.0247(5) Uani 1 1 d .
H8A H 0.0457 0.5975 0.1442 0.030 Uiso 1 1 calc R
H8B H -0.0056 0.5997 0.2429 0.030 Uiso 1 1 calc R
C9 C 0.1045(2) 0.66958(7) 0.12623(18) 0.0265(5) Uani 1 1 d .
H9A H 0.1589 0.6916 0.1466 0.032 Uiso 1 1 calc R
H9B H 0.1451 0.6536 0.0850 0.032 Uiso 1 1 calc R
C10 C -0.0262(2) 0.68229(7) 0.06414(18) 0.0278(5) Uani 1 1 d .
H10 H -0.0154 0.6961 0.0043 0.033 Uiso 1 1 calc R
C11 C -0.1073(3) 0.64786(7) 0.03124(19) 0.0299(5) Uani 1 1 d .
H11A H -0.0661 0.6317 -0.0093 0.036 Uiso 1 1 calc R
H11B H -0.1907 0.6554 -0.0101 0.036 Uiso 1 1 calc R
C12 C -0.1244(2) 0.62654(7) 0.12229(18) 0.0271(5) Uani 1 1 d .
H12 H -0.1792 0.6044 0.1007 0.033 Uiso 1 1 calc R
C13 C -0.1849(2) 0.65183(7) 0.18614(19) 0.0272(5) Uani 1 1 d .
H13A H -0.2699 0.6594 0.1479 0.033 Uiso 1 1 calc R
H13B H -0.1944 0.6381 0.2457 0.033 Uiso 1 1 calc R
C14 C -0.1040(2) 0.68629(7) 0.21812(19) 0.0279(5) Uani 1 1 d .
H14 H -0.1453 0.7027 0.2591 0.033 Uiso 1 1 calc R
C15 C -0.0876(3) 0.70749(7) 0.1265(2) 0.0305(6) Uani 1 1 d .
H15A H -0.1708 0.7159 0.0868 0.037 Uiso 1 1 calc R
H15B H -0.0341 0.7297 0.1474 0.037 Uiso 1 1 calc R
C16 C 0.1390(2) 0.60366(6) 0.42071(17) 0.0219(5) Uani 1 1 d .
C17 C 0.1231(2) 0.62845(7) 0.49547(17) 0.0246(5) Uani 1 1 d .
C18 C 0.0374(2) 0.61941(8) 0.55174(19) 0.0308(6) Uani 1 1 d .
H18 H 0.0245 0.6363 0.6009 0.037 Uiso 1 1 calc R
C19 C -0.0292(3) 0.58633(8) 0.5375(2) 0.0355(6) Uani 1 1 d .
H19 H -0.0893 0.5809 0.5749 0.043 Uiso 1 1 calc R
C20 C -0.0070(2) 0.56110(8) 0.4680(2) 0.0310(6) Uani 1 1 d .
H20 H -0.0506 0.5380 0.4599 0.037 Uiso 1 1 calc R
C21 C 0.0775(2) 0.56877(7) 0.40983(18) 0.0245(5) Uani 1 1 d .
C22 C 0.1118(2) 0.53905(7) 0.34345(19) 0.0271(5) Uani 1 1 d .
H22 H 0.1445 0.5518 0.2908 0.033 Uiso 1 1 calc R
C23 C 0.0023(3) 0.51404(8) 0.2916(2) 0.0402(7) Uani 1 1 d .
H23A H -0.0279 0.4998 0.3414 0.060 Uiso 1 1 calc R
H23B H 0.0313 0.4969 0.2468 0.060 Uiso 1 1 calc R
H23C H -0.0665 0.5294 0.2532 0.060 Uiso 1 1 calc R
C24 C 0.2193(3) 0.51525(8) 0.4050(2) 0.0368(6) Uani 1 1 d .
H24A H 0.2909 0.5313 0.4351 0.055 Uiso 1 1 calc R
H24B H 0.2457 0.4969 0.3618 0.055 Uiso 1 1 calc R
H24C H 0.1898 0.5024 0.4574 0.055 Uiso 1 1 calc R
C25 C 0.2042(3) 0.66313(7) 0.51960(19) 0.0293(5) Uani 1 1 d .
H25 H 0.2396 0.6687 0.4611 0.035 Uiso 1 1 calc R
C26 C 0.1324(3) 0.69759(8) 0.5406(2) 0.0413(7) Uani 1 1 d .
H26A H 0.0605 0.7022 0.4841 0.062 Uiso 1 1 calc R
H26B H 0.1889 0.7191 0.5505 0.062 Uiso 1 1 calc R
H26C H 0.1018 0.6935 0.6005 0.062 Uiso 1 1 calc R
C27 C 0.3152(3) 0.65504(9) 0.6086(2) 0.0404(7) Uani 1 1 d .
H27A H 0.2828 0.6483 0.6662 0.061 Uiso 1 1 calc R
H27B H 0.3683 0.6772 0.6242 0.061 Uiso 1 1 calc R
H27C H 0.3653 0.6345 0.5922 0.061 Uiso 1 1 calc R
C28 C 0.3691(2) 0.65665(6) 0.18775(17) 0.0209(5) Uani 1 1 d .
C29 C 0.4118(2) 0.69368(6) 0.19536(17) 0.0223(5) Uani 1 1 d .
C30 C 0.4520(2) 0.70919(7) 0.11663(17) 0.0242(5) Uani 1 1 d .
H30 H 0.4782 0.7344 0.1208 0.029 Uiso 1 1 calc R
C31 C 0.4550(2) 0.68886(7) 0.03129(17) 0.0241(5) Uani 1 1 d .
C32 C 0.4194(2) 0.65180(7) 0.02770(17) 0.0232(5) Uani 1 1 d .
H32 H 0.4240 0.6373 -0.0286 0.028 Uiso 1 1 calc R
C33 C 0.3772(2) 0.63532(6) 0.10428(17) 0.0214(5) Uani 1 1 d .
C34 C 0.3453(2) 0.59399(6) 0.10318(17) 0.0225(5) Uani 1 1 d .
H34 H 0.2651 0.5917 0.1254 0.027 Uiso 1 1 calc R
C35 C 0.4474(2) 0.57371(6) 0.18004(18) 0.0239(5) Uani 1 1 d .
C36 C 0.5746(2) 0.58245(7) 0.1931(2) 0.0317(6) Uani 1 1 d .
H36 H 0.5986 0.6013 0.1534 0.038 Uiso 1 1 calc R
C37 C 0.6671(3) 0.56397(8) 0.2632(2) 0.0354(6) Uani 1 1 d .
H37 H 0.7535 0.5702 0.2710 0.042 Uiso 1 1 calc R
C38 C 0.6337(3) 0.53653(8) 0.3217(2) 0.0343(6) Uani 1 1 d .
H38 H 0.6970 0.5239 0.3694 0.041 Uiso 1 1 calc R
C39 C 0.5083(3) 0.52757(8) 0.3106(2) 0.0338(6) Uani 1 1 d .
H39 H 0.4851 0.5089 0.3511 0.041 Uiso 1 1 calc R
C40 C 0.4153(2) 0.54602(7) 0.23961(19) 0.0282(5) Uani 1 1 d .
H40 H 0.3291 0.5396 0.2320 0.034 Uiso 1 1 calc R
C41 C 0.3203(2) 0.57727(7) -0.00100(18) 0.0256(5) Uani 1 1 d .
C42 C 0.2121(3) 0.58835(7) -0.0713(2) 0.0326(6) Uani 1 1 d .
H42 H 0.1546 0.6050 -0.0523 0.039 Uiso 1 1 calc R
C43 C 0.1867(3) 0.57555(8) -0.1682(2) 0.0394(7) Uani 1 1 d .
H43 H 0.1131 0.5837 -0.2151 0.047 Uiso 1 1 calc R
C44 C 0.2689(3) 0.55089(9) -0.1967(2) 0.0426(7) Uani 1 1 d .
H44 H 0.2517 0.5420 -0.2630 0.051 Uiso 1 1 calc R
C45 C 0.3751(3) 0.53941(9) -0.1285(2) 0.0436(7) Uani 1 1 d .
H45 H 0.4315 0.5225 -0.1478 0.052 Uiso 1 1 calc R
C46 C 0.4009(3) 0.55249(8) -0.0309(2) 0.0347(6) Uani 1 1 d .
H46 H 0.4747 0.5443 0.0156 0.042 Uiso 1 1 calc R
C47 C 0.4173(2) 0.71426(6) 0.29248(17) 0.0227(5) Uani 1 1 d .
H47 H 0.3376 0.7082 0.3127 0.027 Uiso 1 1 calc R
C48 C 0.5265(2) 0.70062(7) 0.37584(18) 0.0261(5) Uani 1 1 d .
C49 C 0.5288(3) 0.71104(9) 0.4729(2) 0.0379(6) Uani 1 1 d .
H49 H 0.4586 0.7237 0.4865 0.045 Uiso 1 1 calc R
C50 C 0.6324(3) 0.70306(9) 0.5498(2) 0.0448(7) Uani 1 1 d .
H50 H 0.6334 0.7107 0.6155 0.054 Uiso 1 1 calc R
C51 C 0.7349(3) 0.68395(9) 0.5313(2) 0.0400(7) Uani 1 1 d .
H51 H 0.8064 0.6788 0.5839 0.048 Uiso 1 1 calc R
C52 C 0.7322(3) 0.67247(8) 0.4361(2) 0.0357(6) Uani 1 1 d .
H52 H 0.8010 0.6588 0.4233 0.043 Uiso 1 1 calc R
C53 C 0.6290(2) 0.68079(8) 0.35870(18) 0.0291(5) Uani 1 1 d .
H53 H 0.6282 0.6729 0.2932 0.035 Uiso 1 1 calc R
C54 C 0.4254(2) 0.75647(7) 0.28786(17) 0.0249(5) Uani 1 1 d .
C55 C 0.3213(3) 0.77797(7) 0.28955(17) 0.0289(5) Uani 1 1 d .
H55 H 0.2434 0.7663 0.2900 0.035 Uiso 1 1 calc R
C56 C 0.3292(3) 0.81672(8) 0.29067(19) 0.0347(6) Uani 1 1 d .
H56 H 0.2568 0.8312 0.2911 0.042 Uiso 1 1 calc R
C57 C 0.4425(3) 0.83393(8) 0.29107(19) 0.0375(7) Uani 1 1 d .
H57 H 0.4479 0.8603 0.2917 0.045 Uiso 1 1 calc R
C58 C 0.5473(3) 0.81287(8) 0.2905(2) 0.0388(7) Uani 1 1 d .
H58 H 0.6255 0.8246 0.2917 0.047 Uiso 1 1 calc R
C59 C 0.5387(3) 0.77439(8) 0.2882(2) 0.0347(6) Uani 1 1 d .
H59 H 0.6112 0.7600 0.2869 0.042 Uiso 1 1 calc R
C60 C 0.4943(3) 0.70747(7) -0.05482(19) 0.0320(6) Uani 1 1 d .
H60 H 0.5700 0.7231 -0.0263 0.038 Uiso 1 1 calc R
C61 C 0.3923(4) 0.73271(10) -0.1082(3) 0.0564(9) Uani 1 1 d .
H61A H 0.3178 0.7180 -0.1397 0.085 Uiso 1 1 calc R
H61B H 0.4217 0.7465 -0.1592 0.085 Uiso 1 1 calc R
H61C H 0.3704 0.7502 -0.0609 0.085 Uiso 1 1 calc R
C62 C 0.5303(3) 0.68063(9) -0.1278(2) 0.0409(7) Uani 1 1 d .
H62A H 0.5963 0.6638 -0.0921 0.061 Uiso 1 1 calc R
H62B H 0.5617 0.6946 -0.1774 0.061 Uiso 1 1 calc R
H62C H 0.4560 0.6662 -0.1610 0.061 Uiso 1 1 calc R
C63 C 0.2678(4) 0.46225(11) 0.0289(3) 0.0650(10) Uani 1 1 d .
H63A H 0.2742 0.4686 -0.0384 0.097 Uiso 1 1 calc R
H63B H 0.3047 0.4377 0.0469 0.097 Uiso 1 1 calc R
H63C H 0.3136 0.4808 0.0758 0.097 Uiso 1 1 calc R
C64 C 0.1304(3) 0.46191(9) 0.0326(3) 0.0570(9) Uani 1 1 d .
H64A H 0.1239 0.4543 0.0997 0.068 Uiso 1 1 calc R
H64B H 0.0841 0.4435 -0.0156 0.068 Uiso 1 1 calc R
C65 C 0.0703(3) 0.49989(9) 0.0086(3) 0.0470(8) Uani 1 1 d .
H65A H 0.1064 0.5170 0.0641 0.056 Uiso 1 1 calc R
H65B H 0.0930 0.5096 -0.0515 0.056 Uiso 1 1 calc R
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'
Mg Mg 0.0486 0.0363 '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'
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
N2 Mg1 N1 64.16(8) .
N2 Mg1 C1 153.47(10) .
N1 Mg1 C1 131.69(10) .
C5 N1 C16 129.11(19) .
C5 N1 Mg1 92.48(14) .
C16 N1 Mg1 136.73(15) .
C2 C1 Mg1 118.99(19) .
C2 C1 H1A 107.6 .
Mg1 C1 H1A 107.6 .
C2 C1 H1B 107.6 .
Mg1 C1 H1B 107.6 .
H1A C1 H1B 107.0 .
C5 N2 C28 130.67(19) .
C5 N2 Mg1 93.32(14) .
C28 N2 Mg1 135.09(15) .
C1 C2 C3 114.2(2) .
C1 C2 H2A 108.7 .
C3 C2 H2A 108.7 .
C1 C2 H2B 108.7 .
C3 C2 H2B 108.7 .
H2A C2 H2B 107.6 .
C4 C3 C2 112.1(3) .
C4 C3 H3A 109.2 .
C2 C3 H3A 109.2 .
C4 C3 H3B 109.2 .
C2 C3 H3B 109.2 .
H3A C3 H3B 107.9 .
C3 C4 H4A 109.5 .
C3 C4 H4B 109.5 .
H4A C4 H4B 109.5 .
C3 C4 H4C 109.5 .
H4A C4 H4C 109.5 .
H4B C4 H4C 109.5 .
N2 C5 N1 110.0(2) .
N2 C5 C6 125.9(2) .
N1 C5 C6 124.0(2) .
C7 C6 C5 111.15(18) .
C7 C6 C8 108.78(19) .
C5 C6 C8 108.38(18) .
C7 C6 C9 106.96(19) .
C5 C6 C9 114.13(19) .
C8 C6 C9 107.28(19) .
C6 C7 C14 111.17(19) .
C6 C7 H7A 109.4 .
C14 C7 H7A 109.4 .
C6 C7 H7B 109.4 .
C14 C7 H7B 109.4 .
H7A C7 H7B 108.0 .
C12 C8 C6 111.12(19) .
C12 C8 H8A 109.4 .
C6 C8 H8A 109.4 .
C12 C8 H8B 109.4 .
C6 C8 H8B 109.4 .
H8A C8 H8B 108.0 .
C10 C9 C6 111.3(2) .
C10 C9 H9A 109.4 .
C6 C9 H9A 109.4 .
C10 C9 H9B 109.4 .
C6 C9 H9B 109.4 .
H9A C9 H9B 108.0 .
C15 C10 C11 110.6(2) .
C15 C10 C9 109.5(2) .
C11 C10 C9 108.4(2) .
C15 C10 H10 109.4 .
C11 C10 H10 109.4 .
C9 C10 H10 109.4 .
C10 C11 C12 109.8(2) .
C10 C11 H11A 109.7 .
C12 C11 H11A 109.7 .
C10 C11 H11B 109.7 .
C12 C11 H11B 109.7 .
H11A C11 H11B 108.2 .
C13 C12 C11 109.7(2) .
C13 C12 C8 108.5(2) .
C11 C12 C8 109.4(2) .
C13 C12 H12 109.8 .
C11 C12 H12 109.8 .
C8 C12 H12 109.8 .
C14 C13 C12 110.6(2) .
C14 C13 H13A 109.5 .
C12 C13 H13A 109.5 .
C14 C13 H13B 109.5 .
C12 C13 H13B 109.5 .
H13A C13 H13B 108.1 .
C13 C14 C15 109.9(2) .
C13 C14 C7 108.5(2) .
C15 C14 C7 109.4(2) .
C13 C14 H14 109.7 .
C15 C14 H14 109.7 .
C7 C14 H14 109.7 .
C10 C15 C14 109.4(2) .
C10 C15 H15A 109.8 .
C14 C15 H15A 109.8 .
C10 C15 H15B 109.8 .
C14 C15 H15B 109.8 .
H15A C15 H15B 108.2 .
C17 C16 C21 120.0(2) .
C17 C16 N1 120.1(2) .
C21 C16 N1 119.3(2) .
C18 C17 C16 118.9(2) .
C18 C17 C25 120.1(2) .
C16 C17 C25 120.9(2) .
C19 C18 C17 121.4(2) .
C19 C18 H18 119.3 .
C17 C18 H18 119.3 .
C18 C19 C20 119.2(2) .
C18 C19 H19 120.4 .
C20 C19 H19 120.4 .
C19 C20 C21 121.6(2) .
C19 C20 H20 119.2 .
C21 C20 H20 119.2 .
C20 C21 C16 118.6(2) .
C20 C21 C22 120.5(2) .
C16 C21 C22 120.7(2) .
C21 C22 C23 114.9(2) .
C21 C22 C24 108.9(2) .
C23 C22 C24 109.8(2) .
C21 C22 H22 107.7 .
C23 C22 H22 107.7 .
C24 C22 H22 107.7 .
C22 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
C22 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C22 C24 H24A 109.5 .
C22 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C22 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C17 C25 C26 114.2(2) .
C17 C25 C27 109.0(2) .
C26 C25 C27 110.0(2) .
C17 C25 H25 107.8 .
C26 C25 H25 107.8 .
C27 C25 H25 107.8 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C29 C28 N2 120.1(2) .
C29 C28 C33 119.5(2) .
N2 C28 C33 119.9(2) .
C30 C29 C28 118.9(2) .
C30 C29 C47 123.2(2) .
C28 C29 C47 117.9(2) .
C29 C30 C31 122.1(2) .
C29 C30 H30 118.9 .
C31 C30 H30 118.9 .
C32 C31 C30 118.0(2) .
C32 C31 C60 121.7(2) .
C30 C31 C60 120.2(2) .
C31 C32 C33 121.7(2) .
C31 C32 H32 119.2 .
C33 C32 H32 119.2 .
C32 C33 C28 119.6(2) .
C32 C33 C34 121.7(2) .
C28 C33 C34 118.6(2) .
C33 C34 C41 112.40(19) .
C33 C34 C35 109.39(19) .
C41 C34 C35 113.9(2) .
C33 C34 H34 106.9 .
C41 C34 H34 106.9 .
C35 C34 H34 106.9 .
C40 C35 C36 118.1(2) .
C40 C35 C34 120.7(2) .
C36 C35 C34 121.2(2) .
C37 C36 C35 121.0(2) .
C37 C36 H36 119.5 .
C35 C36 H36 119.5 .
C38 C37 C36 120.1(3) .
C38 C37 H37 119.9 .
C36 C37 H37 119.9 .
C39 C38 C37 119.9(3) .
C39 C38 H38 120.1 .
C37 C38 H38 120.1 .
C38 C39 C40 120.0(3) .
C38 C39 H39 120.0 .
C40 C39 H39 120.0 .
C35 C40 C39 120.9(2) .
C35 C40 H40 119.6 .
C39 C40 H40 119.6 .
C46 C41 C42 117.8(2) .
C46 C41 C34 123.8(2) .
C42 C41 C34 118.4(2) .
C43 C42 C41 121.3(3) .
C43 C42 H42 119.3 .
C41 C42 H42 119.3 .
C42 C43 C44 119.9(3) .
C42 C43 H43 120.0 .
C44 C43 H43 120.0 .
C45 C44 C43 119.6(3) .
C45 C44 H44 120.2 .
C43 C44 H44 120.2 .
C44 C45 C46 120.4(3) .
C44 C45 H45 119.8 .
C46 C45 H45 119.8 .
C41 C46 C45 120.9(3) .
C41 C46 H46 119.5 .
C45 C46 H46 119.5 .
C54 C47 C29 115.91(19) .
C54 C47 C48 108.03(19) .
C29 C47 C48 111.7(2) .
C54 C47 H47 106.9 .
C29 C47 H47 106.9 .
C48 C47 H47 106.9 .
C49 C48 C53 118.3(2) .
C49 C48 C47 118.3(2) .
C53 C48 C47 123.2(2) .
C50 C49 C48 120.6(3) .
C50 C49 H49 119.7 .
C48 C49 H49 119.7 .
C49 C50 C51 120.4(3) .
C49 C50 H50 119.8 .
C51 C50 H50 119.8 .
C52 C51 C50 119.6(3) .
C52 C51 H51 120.2 .
C50 C51 H51 120.2 .
C51 C52 C53 120.2(3) .
C51 C52 H52 119.9 .
C53 C52 H52 119.9 .
C52 C53 C48 120.9(2) .
C52 C53 H53 119.6 .
C48 C53 H53 119.6 .
C55 C54 C59 118.3(2) .
C55 C54 C47 120.1(2) .
C59 C54 C47 121.4(2) .
C54 C55 C56 120.7(3) .
C54 C55 H55 119.6 .
C56 C55 H55 119.6 .
C57 C56 C55 120.1(3) .
C57 C56 H56 120.0 .
C55 C56 H56 120.0 .
C58 C57 C56 119.9(3) .
C58 C57 H57 120.1 .
C56 C57 H57 120.1 .
C57 C58 C59 119.9(3) .
C57 C58 H58 120.0 .
C59 C58 H58 120.0 .
C58 C59 C54 121.1(3) .
C58 C59 H59 119.4 .
C54 C59 H59 119.4 .
C61 C60 C62 109.8(2) .
C61 C60 C31 110.0(2) .
C62 C60 C31 114.3(2) .
C61 C60 H60 107.5 .
C62 C60 H60 107.5 .
C31 C60 H60 107.5 .
C60 C61 H61A 109.5 .
C60 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
C60 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
C60 C62 H62A 109.5 .
C60 C62 H62B 109.5 .
H62A C62 H62B 109.5 .
C60 C62 H62C 109.5 .
H62A C62 H62C 109.5 .
H62B C62 H62C 109.5 .
C64 C63 H63A 109.5 .
C64 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
C64 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C63 C64 C65 111.4(3) .
C63 C64 H64A 109.4 .
C65 C64 H64A 109.4 .
C63 C64 H64B 109.4 .
C65 C64 H64B 109.4 .
H64A C64 H64B 108.0 .
C65 C65 C64 114.3(3) 3_565
C65 C65 H65A 108.7 3_565
C64 C65 H65A 108.7 .
C65 C65 H65B 108.7 3_565
C64 C65 H65B 108.7 .
H65A C65 H65B 107.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg1 N2 2.069(2) .
Mg1 N1 2.084(2) .
Mg1 C1 2.090(3) .
N1 C5 1.349(3) .
N1 C16 1.424(3) .
C1 C2 1.524(4) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
N2 C5 1.343(3) .
N2 C28 1.408(3) .
C2 C3 1.550(4) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.522(5) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.547(3) .
C6 C7 1.541(3) .
C6 C8 1.548(3) .
C6 C9 1.557(3) .
C7 C14 1.549(3) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C12 1.540(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.547(3) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C15 1.517(4) .
C10 C11 1.528(4) .
C10 H10 1.0000 .
C11 C12 1.528(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.528(3) .
C12 H12 1.0000 .
C13 C14 1.525(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.530(4) .
C14 H14 1.0000 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.411(3) .
C16 C21 1.416(3) .
C17 C18 1.395(4) .
C17 C25 1.520(4) .
C18 C19 1.385(4) .
C18 H18 0.9500 .
C19 C20 1.389(4) .
C19 H19 0.9500 .
C20 C21 1.392(3) .
C20 H20 0.9500 .
C21 C22 1.517(3) .
C22 C23 1.530(4) .
C22 C24 1.535(4) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.533(4) .
C25 C27 1.535(4) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.408(3) .
C28 C33 1.410(3) .
C29 C30 1.389(3) .
C29 C47 1.526(3) .
C30 C31 1.400(3) .
C30 H30 0.9500 .
C31 C32 1.387(3) .
C31 C60 1.520(3) .
C32 C33 1.390(3) .
C32 H32 0.9500 .
C33 C34 1.528(3) .
C34 C41 1.529(3) .
C34 C35 1.529(3) .
C34 H34 1.0000 .
C35 C40 1.393(3) .
C35 C36 1.393(4) .
C36 C37 1.392(4) .
C36 H36 0.9500 .
C37 C38 1.382(4) .
C37 H37 0.9500 .
C38 C39 1.378(4) .
C38 H38 0.9500 .
C39 C40 1.400(4) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C46 1.385(4) .
C41 C42 1.397(4) .
C42 C43 1.384(4) .
C42 H42 0.9500 .
C43 C44 1.386(4) .
C43 H43 0.9500 .
C44 C45 1.371(5) .
C44 H44 0.9500 .
C45 C46 1.397(4) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C54 1.525(3) .
C47 C48 1.528(3) .
C47 H47 1.0000 .
C48 C49 1.393(4) .
C48 C53 1.395(4) .
C49 C50 1.384(4) .
C49 H49 0.9500 .
C50 C51 1.389(4) .
C50 H50 0.9500 .
C51 C52 1.378(4) .
C51 H51 0.9500 .
C52 C53 1.388(4) .
C52 H52 0.9500 .
C53 H53 0.9500 .
C54 C55 1.380(4) .
C54 C59 1.394(4) .
C55 C56 1.398(4) .
C55 H55 0.9500 .
C56 C57 1.382(4) .
C56 H56 0.9500 .
C57 C58 1.374(4) .
C57 H57 0.9500 .
C58 C59 1.388(4) .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60 C61 1.488(4) .
C60 C62 1.519(4) .
C60 H60 1.0000 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 C64 1.514(5) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.519(5) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 C65 1.497(7) 3_565
C65 H65A 0.9900 .
C65 H65B 0.9900 .
