# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_vand70
_database_code_depnum_ccdc_archive 'CCDC 1883142'
_audit_update_record             
;
2018-12-04 deposited with the CCDC.
2019-01-23 downloaded from the CCDC.
;

_vrf_PLAT242_vand70              
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Si4 Check 
RESPONSE: This alert arises from the thermal motion of the SiMe3 groups.
In the explanation offered by IUCR, "False alarms may occur for
terminal groups such as the t-butyl moiety."
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H54 Ca K N3 Si6'
_chemical_formula_weight         560.36

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.6477(8)
_cell_length_b                   11.2357(9)
_cell_length_c                   19.398(2)
_cell_angle_alpha                93.148(5)
_cell_angle_beta                 91.419(2)
_cell_angle_gamma                111.817(2)
_cell_volume                     1745.0(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9615
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      27.35

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             612
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.445
_exptl_absorpt_correction_T_max  0.818
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_reflns_number            25442
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0357
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.96
_diffrn_reflns_theta_max         27.01
_reflns_number_total             7444
_reflns_number_gt                6582
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Rotational twin (180 deg) roughly in 50/50 ratio.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.7500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7444
_refine_ls_number_parameters     263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.0840
_refine_ls_wR_factor_gt          0.0794
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Ca1 Ca 0.68031(6) 0.89931(4) 0.25304(2) 0.01694(11) Uani 1 1 d . . .
K1 K 0.50154(7) 0.54437(5) 0.25368(3) 0.02140(12) Uani 1 1 d . . .
Si1 Si 0.76971(8) 0.79039(6) 0.39600(3) 0.01749(14) Uani 1 1 d . . .
Si2 Si 0.39804(8) 0.70917(7) 0.38205(3) 0.01793(14) Uani 1 1 d . . .
Si3 Si 0.73207(9) 1.20362(6) 0.30799(3) 0.02023(15) Uani 1 1 d . . .
Si4 Si 0.95086(9) 1.18237(6) 0.19166(4) 0.02141(15) Uani 1 1 d . . .
Si5 Si 0.46682(8) 0.77333(6) 0.10898(3) 0.01863(14) Uani 1 1 d . . .
Si6 Si 0.73809(9) 0.66818(7) 0.12157(3) 0.01832(14) Uani 1 1 d . . .
N1 N 0.5906(2) 0.76887(18) 0.34839(9) 0.0158(4) Uani 1 1 d . . .
N2 N 0.8067(3) 1.12123(18) 0.25070(10) 0.0197(4) Uani 1 1 d . . .
N3 N 0.6205(2) 0.74743(18) 0.15627(9) 0.0160(4) Uani 1 1 d . . .
C1 C 0.9538(3) 0.9062(3) 0.35192(13) 0.0230(5) Uani 1 1 d . . .
H1B H 0.9530 0.8742 0.3038 0.035 Uiso 1 1 calc R . .
H1C H 1.0579 0.9133 0.3763 0.035 Uiso 1 1 calc R . .
H1D H 0.9455 0.9909 0.3529 0.035 Uiso 1 1 calc R . .
C2 C 0.7808(4) 0.8591(3) 0.48789(13) 0.0300(6) Uani 1 1 d . . .
H2B H 0.6876 0.8022 0.5127 0.045 Uiso 1 1 calc R . .
H2C H 0.7741 0.9443 0.4877 0.045 Uiso 1 1 calc R . .
H2D H 0.8864 0.8666 0.5110 0.045 Uiso 1 1 calc R . .
C3 C 0.8115(3) 0.6379(3) 0.40284(14) 0.0263(6) Uani 1 1 d . . .
H3B H 0.7193 0.5748 0.4254 0.039 Uiso 1 1 calc R . .
H3C H 0.9156 0.6568 0.4302 0.039 Uiso 1 1 calc R . .
H3D H 0.8211 0.6029 0.3565 0.039 Uiso 1 1 calc R . .
C4 C 0.3497(3) 0.8127(3) 0.45109(13) 0.0300(6) Uani 1 1 d . . .
H4A H 0.3689 0.8973 0.4341 0.045 Uiso 1 1 calc R . .
H4B H 0.4221 0.8226 0.4924 0.045 Uiso 1 1 calc R . .
H4C H 0.2328 0.7720 0.4627 0.045 Uiso 1 1 calc R . .
C5 C 0.3558(3) 0.5499(3) 0.42147(14) 0.0306(6) Uani 1 1 d . . .
H5A H 0.4409 0.5608 0.4582 0.046 Uiso 1 1 calc R . .
H5B H 0.3594 0.4861 0.3857 0.046 Uiso 1 1 calc R . .
H5C H 0.2454 0.5206 0.4409 0.046 Uiso 1 1 calc R . .
C6 C 0.2298(3) 0.6801(3) 0.31200(13) 0.0240(5) Uani 1 1 d . . .
H6A H 0.2471 0.7604 0.2902 0.036 Uiso 1 1 calc R . .
H6B H 0.1204 0.6495 0.3323 0.036 Uiso 1 1 calc R . .
H6C H 0.2347 0.6152 0.2771 0.036 Uiso 1 1 calc R . .
C7 C 0.5455(4) 1.0869(3) 0.34853(14) 0.0298(6) Uani 1 1 d . . .
H7A H 0.5768 1.0212 0.3696 0.045 Uiso 1 1 calc R . .
H7B H 0.4562 1.0456 0.3130 0.045 Uiso 1 1 calc R . .
H7C H 0.5065 1.1330 0.3841 0.045 Uiso 1 1 calc R . .
C8 C 0.8868(4) 1.2979(3) 0.37990(14) 0.0362(7) Uani 1 1 d . . .
H8A H 0.9334 1.2414 0.4019 0.054 Uiso 1 1 calc R . .
H8B H 0.8305 1.3326 0.4142 0.054 Uiso 1 1 calc R . .
H8C H 0.9768 1.3688 0.3610 0.054 Uiso 1 1 calc R . .
C9 C 0.6513(4) 1.3224(3) 0.27002(15) 0.0341(7) Uani 1 1 d . . .
H9A H 0.5698 1.2790 0.2319 0.051 Uiso 1 1 calc R . .
H9B H 0.7444 1.3932 0.2527 0.051 Uiso 1 1 calc R . .
H9C H 0.5979 1.3565 0.3058 0.051 Uiso 1 1 calc R . .
C10 C 1.1497(4) 1.3140(3) 0.22679(16) 0.0398(7) Uani 1 1 d . . .
H10A H 1.1241 1.3855 0.2478 0.060 Uiso 1 1 calc R . .
H10B H 1.2249 1.3444 0.1891 0.060 Uiso 1 1 calc R . .
H10C H 1.2037 1.2807 0.2618 0.060 Uiso 1 1 calc R . .
C11 C 0.8741(4) 1.2514(4) 0.11852(16) 0.0506(9) Uani 1 1 d . . .
H11A H 0.7699 1.1871 0.0978 0.076 Uiso 1 1 calc R . .
H11B H 0.9581 1.2755 0.0835 0.076 Uiso 1 1 calc R . .
H11C H 0.8540 1.3276 0.1360 0.076 Uiso 1 1 calc R . .
C12 C 1.0177(4) 1.0533(3) 0.15336(19) 0.0469(9) Uani 1 1 d . . .
H12A H 0.9196 0.9810 0.1339 0.070 Uiso 1 1 calc R . .
H12B H 1.0736 1.0239 0.1894 0.070 Uiso 1 1 calc R . .
H12C H 1.0948 1.0876 0.1167 0.070 Uiso 1 1 calc R . .
C13 C 0.4059(3) 0.8972(3) 0.15963(14) 0.0251(5) Uani 1 1 d . . .
H13A H 0.5045 0.9762 0.1692 0.038 Uiso 1 1 calc R . .
H13B H 0.3601 0.8634 0.2033 0.038 Uiso 1 1 calc R . .
H13C H 0.3216 0.9161 0.1325 0.038 Uiso 1 1 calc R . .
C14 C 0.5273(4) 0.8404(3) 0.02282(13) 0.0299(6) Uani 1 1 d . . .
H14A H 0.5605 0.7805 -0.0061 0.045 Uiso 1 1 calc R . .
H14B H 0.6208 0.9233 0.0295 0.045 Uiso 1 1 calc R . .
H14C H 0.4321 0.8523 0.0001 0.045 Uiso 1 1 calc R . .
C15 C 0.2707(3) 0.6252(3) 0.09296(14) 0.0284(6) Uani 1 1 d . . .
H15A H 0.2964 0.5582 0.0668 0.043 Uiso 1 1 calc R . .
H15B H 0.1876 0.6465 0.0664 0.043 Uiso 1 1 calc R . .
H15C H 0.2261 0.5939 0.1373 0.043 Uiso 1 1 calc R . .
C16 C 0.9042(3) 0.6720(3) 0.18787(13) 0.0247(5) Uani 1 1 d . . .
H16A H 0.9719 0.7614 0.2031 0.037 Uiso 1 1 calc R . .
H16B H 0.9757 0.6308 0.1672 0.037 Uiso 1 1 calc R . .
H16C H 0.8512 0.6258 0.2277 0.037 Uiso 1 1 calc R . .
C17 C 0.6133(3) 0.4920(2) 0.09550(13) 0.0262(6) Uani 1 1 d . . .
H17A H 0.5251 0.4850 0.0610 0.039 Uiso 1 1 calc R . .
H17B H 0.5632 0.4477 0.1363 0.039 Uiso 1 1 calc R . .
H17C H 0.6873 0.4523 0.0758 0.039 Uiso 1 1 calc R . .
C18 C 0.8519(4) 0.7302(3) 0.04162(13) 0.0310(6) Uani 1 1 d . . .
H18A H 0.9206 0.8217 0.0501 0.047 Uiso 1 1 calc R . .
H18B H 0.7708 0.7186 0.0031 0.047 Uiso 1 1 calc R . .
H18C H 0.9234 0.6826 0.0299 0.047 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ca1 N2 2.3245(19) . ?
Ca1 N3 2.3763(19) . ?
Ca1 N1 2.3864(19) . ?
Ca1 C13 2.942(3) . ?
Ca1 C1 2.984(3) . ?
Ca1 Si5 3.2539(8) . ?
Ca1 Si1 3.2796(8) . ?
Ca1 Si3 3.3861(8) . ?
Ca1 Si4 3.4684(9) . ?
Ca1 K1 3.7038(7) . ?
K1 N1 2.8822(19) . ?
K1 N3 2.943(2) . ?
K1 C10 3.185(3) 1_445 ?
K1 C9 3.235(3) 1_545 ?
K1 C17 3.327(3) . ?
K1 Si6 3.3500(9) . ?
K1 Si2 3.3565(9) . ?
K1 C6 3.425(3) . ?
K1 C5 3.525(3) . ?
K1 Si1 3.8367(9) . ?
Si1 N1 1.714(2) . ?
Si1 C3 1.888(3) . ?
Si1 C2 1.889(3) . ?
Si1 C1 1.900(3) . ?
Si2 N1 1.709(2) . ?
Si2 C4 1.881(3) . ?
Si2 C6 1.889(3) . ?
Si2 C5 1.897(3) . ?
Si3 N2 1.695(2) . ?
Si3 C7 1.883(3) . ?
Si3 C8 1.884(3) . ?
Si3 C9 1.894(3) . ?
Si4 N2 1.691(2) . ?
Si4 C11 1.874(3) . ?
Si4 C12 1.875(3) . ?
Si4 C10 1.884(3) . ?
Si5 N3 1.717(2) . ?
Si5 C14 1.877(3) . ?
Si5 C15 1.888(3) . ?
Si5 C13 1.898(3) . ?
Si6 N3 1.7091(19) . ?
Si6 C18 1.883(3) . ?
Si6 C16 1.891(3) . ?
Si6 C17 1.901(3) . ?
C9 K1 3.235(3) 1_565 ?
C10 K1 3.185(3) 1_665 ?

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 Ca1 N3 126.17(7) . . ?
N2 Ca1 N1 130.19(7) . . ?
N3 Ca1 N1 103.60(6) . . ?
N2 Ca1 C13 90.56(8) . . ?
N3 Ca1 C13 65.92(7) . . ?
N1 Ca1 C13 113.90(7) . . ?
N2 Ca1 C1 88.71(7) . . ?
N3 Ca1 C1 116.10(7) . . ?
N1 Ca1 C1 65.22(7) . . ?
C13 Ca1 C1 177.85(7) . . ?
N2 Ca1 Si5 110.77(5) . . ?
N3 Ca1 Si5 30.78(5) . . ?
N1 Ca1 Si5 113.73(5) . . ?
C13 Ca1 Si5 35.22(5) . . ?
C1 Ca1 Si5 146.83(5) . . ?
N2 Ca1 Si1 113.24(5) . . ?
N3 Ca1 Si1 113.09(5) . . ?
N1 Ca1 Si1 30.31(5) . . ?
C13 Ca1 Si1 144.17(6) . . ?
C1 Ca1 Si1 34.91(5) . . ?
Si5 Ca1 Si1 135.95(2) . . ?
N2 Ca1 Si3 27.25(5) . . ?
N3 Ca1 Si3 145.60(5) . . ?
N1 Ca1 Si3 107.42(5) . . ?
C13 Ca1 Si3 87.87(5) . . ?
C1 Ca1 Si3 90.56(5) . . ?
Si5 Ca1 Si3 119.20(2) . . ?
Si1 Ca1 Si3 101.22(2) . . ?
N2 Ca1 Si4 25.33(5) . . ?
N3 Ca1 Si4 104.03(5) . . ?
N1 Ca1 Si4 148.23(5) . . ?
C13 Ca1 Si4 91.65(6) . . ?
C1 Ca1 Si4 88.55(5) . . ?
Si5 Ca1 Si4 98.04(2) . . ?
Si1 Ca1 Si4 121.46(2) . . ?
Si3 Ca1 Si4 52.563(19) . . ?
N2 Ca1 K1 176.74(6) . . ?
N3 Ca1 K1 52.54(5) . . ?
N1 Ca1 K1 51.08(5) . . ?
C13 Ca1 K1 91.35(5) . . ?
C1 Ca1 K1 89.48(5) . . ?
Si5 Ca1 K1 69.620(18) . . ?
Si1 Ca1 K1 66.330(17) . . ?
Si3 Ca1 K1 155.52(2) . . ?
Si4 Ca1 K1 151.88(2) . . ?
N1 K1 N3 79.96(5) . . ?
N1 K1 C10 128.82(7) . 1_445 ?
N3 K1 C10 120.89(7) . 1_445 ?
N1 K1 C9 122.93(7) . 1_545 ?
N3 K1 C9 124.17(7) . 1_545 ?
C10 K1 C9 85.61(9) 1_445 1_545 ?
N1 K1 C17 133.64(6) . . ?
N3 K1 C17 57.22(6) . . ?
C10 K1 C17 91.20(7) 1_445 . ?
C9 K1 C17 75.97(7) 1_545 . ?
N1 K1 Si6 100.56(4) . . ?
N3 K1 Si6 30.65(4) . . ?
C10 K1 Si6 120.63(6) 1_445 . ?
C9 K1 Si6 93.78(6) 1_545 . ?
C17 K1 Si6 33.09(5) . . ?
N1 K1 Si2 30.61(4) . . ?
N3 K1 Si2 99.18(4) . . ?
C10 K1 Si2 98.35(6) 1_445 . ?
C9 K1 Si2 126.59(5) 1_545 . ?
C17 K1 Si2 155.89(5) . . ?
Si6 K1 Si2 126.54(2) . . ?
N1 K1 C6 55.05(6) . . ?
N3 K1 C6 88.80(6) . . ?
C10 K1 C6 77.64(7) 1_445 . ?
C9 K1 C6 146.96(7) 1_545 . ?
C17 K1 C6 131.93(6) . . ?
Si6 K1 C6 119.25(5) . . ?
Si2 K1 C6 32.33(4) . . ?
N1 K1 C5 54.72(6) . . ?
N3 K1 C5 130.98(6) . . ?
C10 K1 C5 82.19(7) 1_445 . ?
C9 K1 C5 98.09(7) 1_545 . ?
C17 K1 C5 171.50(7) . . ?
Si6 K1 C5 155.12(5) . . ?
Si2 K1 C5 31.88(5) . . ?
C6 K1 C5 51.87(6) . . ?
N1 K1 Ca1 40.10(4) . . ?
N3 K1 Ca1 39.87(4) . . ?
C10 K1 Ca1 138.90(7) 1_445 . ?
C9 K1 Ca1 135.30(6) 1_545 . ?
C17 K1 Ca1 95.22(5) . . ?
Si6 K1 Ca1 63.316(17) . . ?
Si2 K1 Ca1 63.267(17) . . ?
C6 K1 Ca1 68.01(5) . . ?
C5 K1 Ca1 93.27(5) . . ?
N1 K1 Si1 24.72(4) . . ?
N3 K1 Si1 87.81(4) . . ?
C10 K1 Si1 141.65(6) 1_445 . ?
C9 K1 Si1 99.15(6) 1_545 . ?
C17 K1 Si1 126.98(5) . . ?
Si6 K1 Si1 97.15(2) . . ?
Si2 K1 Si1 48.696(17) . . ?
C6 K1 Si1 78.23(4) . . ?
C5 K1 Si1 59.46(5) . . ?
Ca1 K1 Si1 51.525(15) . . ?
N1 Si1 C3 113.55(11) . . ?
N1 Si1 C2 115.52(11) . . ?
C3 Si1 C2 105.44(13) . . ?
N1 Si1 C1 108.64(10) . . ?
C3 Si1 C1 106.46(12) . . ?
C2 Si1 C1 106.67(13) . . ?
N1 Si1 Ca1 44.64(7) . . ?
C3 Si1 Ca1 126.03(9) . . ?
C2 Si1 Ca1 128.48(10) . . ?
C1 Si1 Ca1 64.00(8) . . ?
N1 Si1 K1 44.68(6) . . ?
C3 Si1 K1 72.16(9) . . ?
C2 Si1 K1 146.13(10) . . ?
C1 Si1 K1 106.29(8) . . ?
Ca1 Si1 K1 62.145(16) . . ?
N1 Si2 C4 117.33(11) . . ?
N1 Si2 C6 110.27(11) . . ?
C4 Si2 C6 104.14(12) . . ?
N1 Si2 C5 112.47(11) . . ?
C4 Si2 C5 104.97(13) . . ?
C6 Si2 C5 106.86(13) . . ?
N1 Si2 K1 59.17(7) . . ?
C4 Si2 K1 175.79(10) . . ?
C6 Si2 K1 75.83(8) . . ?
C5 Si2 K1 78.95(9) . . ?
N2 Si3 C7 108.98(11) . . ?
N2 Si3 C8 114.25(13) . . ?
C7 Si3 C8 107.71(13) . . ?
N2 Si3 C9 115.68(11) . . ?
C7 Si3 C9 104.12(13) . . ?
C8 Si3 C9 105.39(13) . . ?
N2 Si3 Ca1 38.89(7) . . ?
C7 Si3 Ca1 70.41(8) . . ?
C8 Si3 Ca1 122.82(10) . . ?
C9 Si3 Ca1 131.12(10) . . ?
N2 Si4 C11 113.57(13) . . ?
N2 Si4 C12 109.84(12) . . ?
C11 Si4 C12 107.43(17) . . ?
N2 Si4 C10 115.08(12) . . ?
C11 Si4 C10 105.34(17) . . ?
C12 Si4 C10 104.96(15) . . ?
N2 Si4 Ca1 36.03(6) . . ?
C11 Si4 Ca1 118.22(12) . . ?
C12 Si4 Ca1 74.82(10) . . ?
C10 Si4 Ca1 134.58(11) . . ?
N3 Si5 C14 115.64(12) . . ?
N3 Si5 C15 113.43(11) . . ?
C14 Si5 C15 106.89(13) . . ?
N3 Si5 C13 108.31(10) . . ?
C14 Si5 C13 105.29(12) . . ?
C15 Si5 C13 106.64(12) . . ?
N3 Si5 Ca1 45.09(6) . . ?
C14 Si5 Ca1 123.56(9) . . ?
C15 Si5 Ca1 129.54(9) . . ?
C13 Si5 Ca1 63.39(8) . . ?
N3 Si6 C18 117.61(11) . . ?
N3 Si6 C16 109.37(10) . . ?
C18 Si6 C16 105.65(12) . . ?
N3 Si6 C17 113.47(11) . . ?
C18 Si6 C17 103.45(12) . . ?
C16 Si6 C17 106.44(12) . . ?
N3 Si6 K1 61.38(7) . . ?
C18 Si6 K1 174.34(10) . . ?
C16 Si6 K1 79.65(8) . . ?
C17 Si6 K1 72.78(8) . . ?
Si2 N1 Si1 122.28(11) . . ?
Si2 N1 Ca1 129.46(10) . . ?
Si1 N1 Ca1 105.05(9) . . ?
Si2 N1 K1 90.22(8) . . ?
Si1 N1 K1 110.60(9) . . ?
Ca1 N1 K1 88.82(6) . . ?
Si4 N2 Si3 127.42(12) . . ?
Si4 N2 Ca1 118.64(10) . . ?
Si3 N2 Ca1 113.86(10) . . ?
Si6 N3 Si5 122.48(11) . . ?
Si6 N3 Ca1 130.07(10) . . ?
Si5 N3 Ca1 104.13(9) . . ?
Si6 N3 K1 87.96(8) . . ?
Si5 N3 K1 115.21(9) . . ?
Ca1 N3 K1 87.59(6) . . ?
Si1 C1 Ca1 81.09(8) . . ?
Si2 C5 K1 69.17(8) . . ?
Si2 C6 K1 71.83(8) . . ?
Si3 C9 K1 162.75(13) . 1_565 ?
Si4 C10 K1 168.26(15) . 1_665 ?
Si5 C13 Ca1 81.40(9) . . ?
Si6 C17 K1 74.13(8) . . ?

_diffrn_measured_fraction_theta_max 0.975
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.358
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.065

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: toluene'
_chemical_properties_physical    Moisture-sensitive
