#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:18:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179446 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/43/4334315.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_4334315
loop_
_publ_author_name
'Sabine Scheuermayer'
'Floriana Tuna'
'Eufemio Moreno Pineda'
'Michael Bodensteiner'
'Manfred Scheer'
'Richard A. Layfield'
_publ_section_title
;
 Transmetalation of Chromocene by Lithium-Amide, -Phosphide, and -Arsenide
 Nucleophiles
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3878
_journal_page_last               3883
_journal_paper_doi               10.1021/ic3025815
_journal_volume                  52
_journal_year                    2013
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C22 H46 Cr2 P2 Si4'
_chemical_formula_sum            'C22 H46 Cr2 P2 Si4'
_chemical_formula_weight         588.89
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.468(9)
_cell_angle_beta                 90.944(9)
_cell_angle_gamma                105.076(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0064(10)
_cell_length_b                   10.8050(13)
_cell_length_c                   17.1383(18)
_cell_measurement_reflns_used    3331
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      75.4741
_cell_measurement_theta_min      4.2344
_cell_volume                     1610.0(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    'SXGRAPH (Farrugia, 1999)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SUPERFLIP (Palatinus, Chapuis, 2007)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector_area_resol_mean 10.3546
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'SuperNova,Single source at offset,Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'SuperNova (Cu) x-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11022
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        67.50
_diffrn_reflns_theta_max         75.65
_diffrn_reflns_theta_min         4.24
_exptl_absorpt_coefficient_mu    7.981
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     529
_refine_ls_number_reflns         6372
_refine_ls_number_restraints     308
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0603
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0383P)²]         where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                4881
_reflns_number_total             6372
_reflns_threshold_expression     >2σ(i)
_cod_data_source_file            ic3025815_si_002_3.cif
_cod_data_source_block           sab141
_cod_database_code               4334315
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr Uani 0.40267(5) 0.56592(4) 0.44901(3) 1.000 0.0299(1) d . . .
P1 P Uani 0.44204(8) 0.35699(7) 0.43774(4) 1.000 0.0299(2) d . . .
Si1 Si Uani 0.2314(9) 0.2015(7) 0.4639(5) 0.500 0.038(3) d DP . 1
Si1A Si Uani 0.2284(10) 0.2060(7) 0.4647(6) 0.500 0.037(2) d DP . 2
Si2 Si Uani 0.5559(8) 0.3043(4) 0.3311(4) 0.500 0.036(2) d DP . 1
Si2A Si Uani 0.5570(8) 0.3042(6) 0.3327(4) 0.500 0.044(3) d DP . 2
C1 C Uani 0.222(2) 0.550(2) 0.3488(15) 0.500 0.046(4) d DUP A 1
C1A C Uani 0.161(3) 0.578(2) 0.4037(15) 0.500 0.055(5) d DUP B 2
C2 C Uani 0.167(3) 0.593(2) 0.4166(14) 0.500 0.047(4) d DUP A 1
C2A C Uani 0.2284(17) 0.6890(15) 0.4455(10) 0.500 0.043(3) d DUP B 2
C3 C Uani 0.2675(18) 0.7155(14) 0.4342(10) 0.500 0.045(4) d DUP A 1
C3A C Uani 0.362(2) 0.7493(14) 0.4023(9) 0.500 0.041(3) d DUP B 2
C4 C Uani 0.386(2) 0.748(2) 0.3811(10) 0.500 0.056(4) d DUP A 1
C4A C Uani 0.377(2) 0.6746(17) 0.3370(11) 0.500 0.046(4) d DUP B 2
C5 C Uani 0.356(2) 0.6425(18) 0.3273(12) 0.500 0.049(4) d DUP A 1
C5A C Uani 0.254(2) 0.563(2) 0.3415(13) 0.500 0.046(4) d DUP B 2
C11 C Uani 0.0839(18) 0.1833(15) 0.3847(9) 0.500 0.066(4) d DUP . 1
C11A C Uani 0.0645(16) 0.2166(15) 0.3979(8) 0.500 0.055(3) d DUP . 2
C12 C Uani 0.160(2) 0.2529(18) 0.5574(8) 0.500 0.051(3) d DUP . 1
C12A C Uani 0.172(3) 0.228(2) 0.5675(8) 0.500 0.060(4) d DUP . 2
C13 C Uani 0.273(2) 0.0430(11) 0.4783(8) 0.500 0.055(4) d DUP . 1
C13A C Uani 0.253(2) 0.0412(14) 0.4526(8) 0.500 0.063(4) d DUP . 2
C14 C Uani 0.4514(19) 0.3233(15) 0.2384(9) 0.500 0.049(3) d DUP . 1
C14A C Uani 0.4268(19) 0.2895(15) 0.2452(9) 0.500 0.055(4) d DUP . 2
C15 C Uani 0.7544(14) 0.4131(14) 0.3282(11) 0.500 0.051(3) d DUP . 1
C15A C Uani 0.7332(16) 0.4361(14) 0.3150(12) 0.500 0.054(4) d DUP . 2
C16 C Uani 0.5697(18) 0.1344(11) 0.3349(11) 0.500 0.054(4) d DUP . 1
C16A C Uani 0.6093(17) 0.1509(11) 0.3479(10) 0.500 0.048(3) d DUP . 2
Cr2 Cr Uani 0.94339(6) 0.08140(5) 0.06151(3) 1.000 0.0306(1) d . . .
P2 P Uani 0.95932(8) -0.13542(7) 0.06594(5) 1.000 0.0319(2) d . . .
Si3 Si Uani 0.7320(15) -0.2728(10) 0.0745(7) 0.500 0.0417(19) d DP . 1
Si3A Si Uani 0.7279(14) -0.2809(10) 0.0581(7) 0.500 0.0396(16) d DP . 2
Si4 Si Uani 1.1040(19) -0.1940(15) 0.1552(9) 0.500 0.0319(16) d DP . 1
Si4A Si Uani 1.128(2) -0.1838(15) 0.1553(9) 0.500 0.035(2) d DP . 2
C6 C Uani 0.9593(17) 0.1537(17) 0.1857(6) 0.500 0.060(4) d DUP . 1
C6A C Uani 0.9891(14) 0.2297(13) 0.1651(7) 0.500 0.043(3) d DUP . 2
C7 C Uani 0.809(2) 0.0788(11) 0.1736(8) 0.500 0.065(4) d DUP . 1
C7A C Uani 0.8807(14) 0.1176(10) 0.1874(5) 0.500 0.038(3) d DUP . 2
C8 C Uani 0.7432(13) 0.1424(15) 0.1177(10) 0.500 0.056(4) d DUP . 1
C8A C Uani 0.7500(13) 0.1074(13) 0.1394(8) 0.500 0.048(3) d DUP . 2
C9 C Uani 0.857(2) 0.2510(12) 0.0953(7) 0.500 0.056(4) d DUP . 1
C9A C Uani 0.7795(14) 0.2106(13) 0.0877(6) 0.500 0.046(3) d DUP . 2
C10 C Uani 0.9936(19) 0.2567(16) 0.1388(10) 0.500 0.068(4) d DUP . 1
C10A C Uani 0.9330(14) 0.2821(9) 0.1026(7) 0.500 0.045(3) d DUP . 2
C17 C Uani 0.602(3) -0.227(2) 0.0010(14) 0.500 0.076(5) d DUP . 1
C17A C Uani 0.605(2) -0.2109(19) -0.0060(11) 0.500 0.048(3) d DUP . 2
C18 C Uani 0.643(2) -0.2718(15) 0.1717(8) 0.500 0.063(3) d DUP . 1
C18A C Uani 0.640(3) -0.3079(16) 0.1555(9) 0.500 0.077(4) d DUP . 2
C19 C Uani 0.7367(17) -0.4418(10) 0.0550(7) 0.500 0.062(3) d DUP . 1
C19A C Uani 0.7405(16) -0.4386(10) 0.0183(7) 0.500 0.061(3) d DUP . 2
C20 C Uani 1.0279(15) -0.1969(13) 0.2554(9) 0.500 0.046(3) d DUP . 1
C20A C Uani 1.0681(15) -0.1597(13) 0.2563(8) 0.500 0.048(3) d DUP . 2
C21 C Uani 1.124(3) -0.3590(16) 0.1324(14) 0.500 0.059(4) d DUP . 1
C21A C Uani 1.147(3) -0.3503(18) 0.1412(14) 0.500 0.059(4) d DUP . 2
C22 C Uani 1.297(2) -0.079(2) 0.1541(13) 0.500 0.057(4) d DUP . 1
C22A C Uani 1.317(2) -0.070(2) 0.1394(12) 0.500 0.049(4) d DUP . 2
H1 H Uiso 0.17710 0.47230 0.32170 0.500 0.0560 c RP A 1
H1A H Uiso 0.06540 0.52000 0.41540 0.500 0.0670 c RP B 2
H2 H Uiso 0.08000 0.54950 0.44530 0.500 0.0560 c RP A 1
H2A H Uiso 0.19370 0.71860 0.49240 0.500 0.0520 c RP B 2
H3 H Uiso 0.25520 0.76840 0.47680 0.500 0.0530 c RP A 1
H3A H Uiso 0.43070 0.82950 0.41590 0.500 0.0500 c RP B 2
H4 H Uiso 0.46880 0.82340 0.38070 0.500 0.0670 c RP A 1
H4A H Uiso 0.45410 0.69470 0.29840 0.500 0.0550 c RP B 2
H5 H Uiso 0.41660 0.63560 0.28350 0.500 0.0590 c RP A 1
H5A H Uiso 0.23760 0.48970 0.30800 0.500 0.0540 c RP B 2
H11A H Uiso -0.00640 0.11430 0.39760 0.500 0.0990 c RP . 1
H11B H Uiso 0.12650 0.16240 0.33550 0.500 0.0990 c RP . 1
H11C H Uiso 0.05380 0.26370 0.37910 0.500 0.0990 c RP . 1
H11D H Uiso 0.09550 0.21370 0.34350 0.500 0.0820 c RP . 2
H11E H Uiso 0.03730 0.29730 0.40800 0.500 0.0820 c RP . 2
H11F H Uiso -0.02460 0.14440 0.40740 0.500 0.0820 c RP . 2
H12A H Uiso 0.13570 0.33550 0.55010 0.500 0.0760 c RP . 1
H12B H Uiso 0.23950 0.26180 0.59820 0.500 0.0760 c RP . 1
H12C H Uiso 0.06710 0.18850 0.57280 0.500 0.0760 c RP . 1
H12D H Uiso 0.06380 0.18210 0.57420 0.500 0.0890 c RP . 2
H12E H Uiso 0.18530 0.31960 0.57840 0.500 0.0890 c RP . 2
H12F H Uiso 0.23670 0.19440 0.60360 0.500 0.0890 c RP . 2
H13A H Uiso 0.35520 0.05150 0.51800 0.500 0.0820 c RP . 1
H13B H Uiso 0.30680 0.01350 0.42900 0.500 0.0820 c RP . 1
H13C H Uiso 0.18040 -0.01940 0.49550 0.500 0.0820 c RP . 1
H13D H Uiso 0.16340 -0.02110 0.47310 0.500 0.0950 c RP . 2
H13E H Uiso 0.34600 0.03470 0.48120 0.500 0.0950 c RP . 2
H13F H Uiso 0.26330 0.02320 0.39710 0.500 0.0950 c RP . 2
H14A H Uiso 0.50820 0.30360 0.19370 0.500 0.0730 c RP . 1
H14B H Uiso 0.44310 0.41170 0.23480 0.500 0.0730 c RP . 1
H14C H Uiso 0.34820 0.26440 0.23810 0.500 0.0730 c RP . 1
H14D H Uiso 0.39120 0.36750 0.24040 0.500 0.0830 c RP . 2
H14E H Uiso 0.33810 0.21540 0.25100 0.500 0.0830 c RP . 2
H14F H Uiso 0.48280 0.27800 0.19830 0.500 0.0830 c RP . 2
H15A H Uiso 0.81270 0.40060 0.37490 0.500 0.0770 c RP . 1
H15B H Uiso 0.74860 0.50240 0.32660 0.500 0.0770 c RP . 1
H15C H Uiso 0.80610 0.39350 0.28160 0.500 0.0770 c RP . 1
H15D H Uiso 0.80630 0.44180 0.35870 0.500 0.0820 c RP . 2
H15E H Uiso 0.70510 0.51750 0.31030 0.500 0.0820 c RP . 2
H15F H Uiso 0.78080 0.41830 0.26660 0.500 0.0820 c RP . 2
H16A H Uiso 0.46670 0.07610 0.32890 0.500 0.0820 c RP . 1
H16B H Uiso 0.61480 0.11960 0.38530 0.500 0.0820 c RP . 1
H16C H Uiso 0.63470 0.11870 0.29270 0.500 0.0820 c RP . 1
H16D H Uiso 0.67890 0.13880 0.30680 0.500 0.0730 c RP . 2
H16E H Uiso 0.51610 0.07970 0.34590 0.500 0.0730 c RP . 2
H16F H Uiso 0.66060 0.15300 0.39890 0.500 0.0730 c RP . 2
H6 H Uiso 1.02950 0.13430 0.22260 0.500 0.0720 c RP . 1
H6A H Uiso 1.08670 0.26380 0.18960 0.500 0.0520 c RP . 2
H7 H Uiso 0.76110 0.00060 0.19830 0.500 0.0790 c RP . 1
H7A H Uiso 0.89320 0.06020 0.22720 0.500 0.0460 c RP . 2
H8 H Uiso 0.64020 0.11690 0.09830 0.500 0.0680 c RP . 1
H8A H Uiso 0.65700 0.04140 0.14160 0.500 0.0580 c RP . 2
H9 H Uiso 0.84470 0.31090 0.05710 0.500 0.0670 c RP . 1
H9A H Uiso 0.70990 0.22890 0.05000 0.500 0.0540 c RP . 2
H10 H Uiso 1.08900 0.31970 0.13580 0.500 0.0810 c RP . 1
H10A H Uiso 0.98760 0.35420 0.07400 0.500 0.0540 c RP . 2
H17A H Uiso 0.50070 -0.28900 0.00210 0.500 0.1150 c RP . 1
H17B H Uiso 0.64540 -0.22820 -0.05110 0.500 0.1150 c RP . 1
H17C H Uiso 0.59170 -0.14140 0.01320 0.500 0.1150 c RP . 1
H17D H Uiso 0.65110 -0.19620 -0.05770 0.500 0.0720 c RP . 2
H17E H Uiso 0.59730 -0.12920 0.01650 0.500 0.0720 c RP . 2
H17F H Uiso 0.50270 -0.27010 -0.01080 0.500 0.0720 c RP . 2
H18A H Uiso 0.64120 -0.18400 0.18560 0.500 0.0930 c RP . 1
H18B H Uiso 0.70320 -0.30400 0.21100 0.500 0.0930 c RP . 1
H18C H Uiso 0.53750 -0.32680 0.16960 0.500 0.0930 c RP . 1
H18D H Uiso 0.53220 -0.35700 0.14960 0.500 0.1150 c RP . 2
H18E H Uiso 0.64480 -0.22510 0.18060 0.500 0.1150 c RP . 2
H18F H Uiso 0.69600 -0.35580 0.18770 0.500 0.1150 c RP . 2
H19A H Uiso 0.63150 -0.49720 0.05380 0.500 0.0930 c RP . 1
H19B H Uiso 0.79650 -0.46980 0.09640 0.500 0.0930 c RP . 1
H19C H Uiso 0.78460 -0.44720 0.00460 0.500 0.0930 c RP . 1
H19D H Uiso 0.64370 -0.50320 0.02720 0.500 0.0910 c RP . 2
H19E H Uiso 0.82520 -0.46420 0.04460 0.500 0.0910 c RP . 2
H19F H Uiso 0.75940 -0.43150 -0.03780 0.500 0.0910 c RP . 2
H20A H Uiso 0.93360 -0.26650 0.25910 0.500 0.0690 c RP . 1
H20B H Uiso 1.00490 -0.11490 0.26700 0.500 0.0690 c RP . 1
H20C H Uiso 1.10480 -0.21080 0.29310 0.500 0.0690 c RP . 1
H20D H Uiso 0.96150 -0.20930 0.26320 0.500 0.0720 c RP . 2
H20E H Uiso 1.07620 -0.06860 0.26550 0.500 0.0720 c RP . 2
H20F H Uiso 1.13530 -0.18870 0.29360 0.500 0.0720 c RP . 2
H21A H Uiso 1.13450 -0.36820 0.07600 0.500 0.0880 c RP . 1
H21B H Uiso 1.03190 -0.42280 0.14960 0.500 0.0880 c RP . 1
H21C H Uiso 1.21480 -0.37210 0.15960 0.500 0.0880 c RP . 1
H21D H Uiso 1.21160 -0.37040 0.18320 0.500 0.0900 c RP . 2
H21E H Uiso 1.19400 -0.35720 0.09070 0.500 0.0900 c RP . 2
H21F H Uiso 1.04480 -0.41090 0.14210 0.500 0.0900 c RP . 2
H22A H Uiso 1.36880 -0.11050 0.18710 0.500 0.0850 c RP . 1
H22B H Uiso 1.29020 0.00480 0.17410 0.500 0.0850 c RP . 1
H22C H Uiso 1.33450 -0.06950 0.10050 0.500 0.0850 c RP . 1
H22D H Uiso 1.30690 0.01790 0.14160 0.500 0.0730 c RP . 2
H22E H Uiso 1.35520 -0.08690 0.08820 0.500 0.0730 c RP . 2
H22F H Uiso 1.39030 -0.08120 0.18010 0.500 0.0730 c RP . 2
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 0.0000 0.0000 ' 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'
P P 0.2955 0.4335 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 ' 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_3
C2 C1 C5 108(2) .
C2 C1 Cr1 70.7(16) .
C5 C1 Cr1 72.5(13) .
C2 C1 H1 125.8 .
C5 C1 H1 125.8 .
Cr1 C1 H1 122.6 .
C1 C2 C3 106.0(17) .
C1 C2 Cr1 74.0(16) .
C3 C2 Cr1 71.7(12) .
C1 C2 H2 127.0 .
C3 C2 H2 127.0 .
Cr1 C2 H2 119.3 .
C4 C3 C2 111.5(16) .
C4 C3 Cr1 74.6(11) .
C2 C3 Cr1 71.9(14) .
C4 C3 H3 124.2 .
C2 C3 H3 124.2 .
Cr1 C3 H3 120.8 .
C3 C4 C5 104.4(17) .
C3 C4 Cr1 70.3(10) .
C5 C4 Cr1 71.9(12) .
C3 C4 H4 127.8 .
C5 C4 H4 127.8 .
Cr1 C4 H4 122.0 .
C1 C5 C4 109.7(19) .
C1 C5 Cr1 72.3(14) .
C4 C5 Cr1 72.4(12) .
C1 C5 H5 125.1 .
C4 C5 H5 125.1 .
Cr1 C5 H5 121.8 .
C2A C1A C5A 110.4(19) .
C2A C1A Cr1 71.6(13) .
C5A C1A Cr1 69.1(15) .
C2A C1A H1A 124.8 .
C5A C1A H1A 124.8 .
Cr1 C1A H1A 126.1 .
C1A C2A C3A 104.6(16) .
C1A C2A Cr1 73.7(14) .
C3A C2A Cr1 69.9(9) .
C1A C2A H2A 127.7 .
C3A C2A H2A 127.7 .
Cr1 C2A H2A 120.7 .
C4A C3A C2A 111.2(15) .
C4A C3A Cr1 73.5(11) .
C2A C3A Cr1 73.6(9) .
C4A C3A H3A 124.4 .
C2A C3A H3A 124.4 .
Cr1 C3A H3A 120.1 .
C3A C4A C5A 105.0(17) .
C3A C4A Cr1 70.6(11) .
C5A C4A Cr1 70.2(12) .
C3A C4A H4A 127.5 .
C5A C4A H4A 127.5 .
Cr1 C4A H4A 123.5 .
C1A C5A C4A 108.4(19) .
C1A C5A Cr1 75.4(15) .
C4A C5A Cr1 73.5(12) .
C1A C5A H5A 125.8 .
C4A C5A H5A 125.8 .
Cr1 C5A H5A 117.3 .
C10 C6 C7 112.3(12) .
C10 C6 Cr2 72.3(7) .
C7 C6 Cr2 73.4(6) .
C10 C6 H6 123.9 .
C7 C6 H6 123.9 .
Cr2 C6 H6 121.9 .
C8 C7 C6 105.9(11) .
C8 C7 Cr2 72.8(7) .
C6 C7 Cr2 70.7(6) .
C8 C7 H7 127.0 .
C6 C7 H7 127.0 .
Cr2 C7 H7 121.3 .
C7 C8 C9 107.5(10) .
C7 C8 Cr2 71.8(7) .
C9 C8 Cr2 69.9(6) .
C7 C8 H8 126.3 .
C9 C8 H8 126.3 .
Cr2 C8 H8 123.7 .
C8 C9 C10 108.9(10) .
C8 C9 Cr2 74.1(7) .
C10 C9 Cr2 71.7(7) .
C8 C9 H9 125.5 .
C10 C9 H9 125.5 .
Cr2 C9 H9 120.4 .
C6 C10 C9 105.4(12) .
C6 C10 Cr2 72.7(7) .
C9 C10 Cr2 71.6(7) .
C6 C10 H10 127.3 .
C9 C10 H10 127.3 .
Cr2 C10 H10 120.4 .
C10A C6A C7A 109.7(10) .
C10A C6A Cr2 71.3(6) .
C7A C6A Cr2 70.7(6) .
C10A C6A H6A 125.2 .
C7A C6A H6A 125.2 .
Cr2 C6A H6A 124.4 .
C6A C7A C8A 106.3(8) .
C6A C7A Cr2 74.1(6) .
C8A C7A Cr2 71.7(7) .
C6A C7A H7A 126.8 .
C8A C7A H7A 126.8 .
Cr2 C7A H7A 119.4 .
C9A C8A C7A 108.8(9) .
C9A C8A Cr2 73.9(7) .
C7A C8A Cr2 72.6(6) .
C9A C8A H8A 125.6 .
C7A C8A H8A 125.6 .
Cr2 C8A H8A 119.7 .
C8A C9A C10A 106.7(9) .
C8A C9A Cr2 70.6(7) .
C10A C9A Cr2 71.2(6) .
C8A C9A H9A 126.7 .
C10A C9A H9A 126.7 .
Cr2 C9A H9A 123.2 .
C6A C10A C9A 108.2(10) .
C6A C10A Cr2 74.4(7) .
C9A C10A Cr2 73.2(6) .
C6A C10A H10A 125.9 .
C9A C10A H10A 125.9 .
Cr2 C10A H10A 118.4 .
C11 Si1 C13 108.2(7) .
C11 Si1 C12 110.9(8) .
C13 Si1 C12 108.9(8) .
C11 Si1 P1 111.4(7) .
C13 Si1 P1 112.6(7) .
C12 Si1 P1 104.9(7) .
C15 Si2 C16 108.8(7) .
C15 Si2 C14 108.5(7) .
C16 Si2 C14 107.8(7) .
C15 Si2 P1 107.7(7) .
C16 Si2 P1 111.4(7) .
C14 Si2 P1 112.6(7) .
C17 Si3 C18 107.5(10) .
C17 Si3 C19 108.6(10) .
C18 Si3 C19 106.3(7) .
C17 Si3 P2 107.6(10) .
C18 Si3 P2 113.7(8) .
C19 Si3 P2 113.0(7) .
C20 Si4 C22 108.5(9) .
C20 Si4 C21 107.4(9) .
C22 Si4 C21 109.1(11) .
C20 Si4 P2 113.7(9) .
C22 Si4 P2 107.9(10) .
C21 Si4 P2 110.1(11) .
C13A Si1A C12A 109.1(8) .
C13A Si1A C11A 106.6(7) .
C12A Si1A C11A 108.1(8) .
C13A Si1A P1 112.3(7) .
C12A Si1A P1 109.4(8) .
C11A Si1A P1 111.1(7) .
Si1A C11A H11D 109.5 .
Si1A C11A H11E 109.5 .
H11D C11A H11E 109.5 .
Si1A C11A H11F 109.5 .
H11D C11A H11F 109.5 .
H11E C11A H11F 109.5 .
Si1A C12A H12D 109.5 .
Si1A C12A H12E 109.5 .
H12D C12A H12E 109.5 .
Si1A C12A H12F 109.5 .
H12D C12A H12F 109.5 .
H12E C12A H12F 109.5 .
Si1A C13A H13D 109.5 .
Si1A C13A H13E 109.5 .
H13D C13A H13E 109.5 .
Si1A C13A H13F 109.5 .
H13D C13A H13F 109.5 .
H13E C13A H13F 109.5 .
C16A Si2A C15A 110.2(7) .
C16A Si2A C14A 109.8(7) .
C15A Si2A C14A 108.1(7) .
C16A Si2A P1 110.7(6) .
C15A Si2A P1 108.1(7) .
C14A Si2A P1 110.0(8) .
Si2A C14A H14D 109.5 .
Si2A C14A H14E 109.5 .
H14D C14A H14E 109.5 .
Si2A C14A H14F 109.5 .
H14D C14A H14F 109.5 .
H14E C14A H14F 109.5 .
Si2A C15A H15D 109.5 .
Si2A C15A H15E 109.5 .
H15D C15A H15E 109.5 .
Si2A C15A H15F 109.5 .
H15D C15A H15F 109.5 .
H15E C15A H15F 109.5 .
Si2A C16A H16D 109.5 .
Si2A C16A H16E 109.5 .
H16D C16A H16E 109.5 .
Si2A C16A H16F 109.5 .
H16D C16A H16F 109.5 .
H16E C16A H16F 109.5 .
C17A Si3A C18A 108.9(9) .
C17A Si3A C19A 110.4(8) .
C18A Si3A C19A 108.0(8) .
C17A Si3A P2 106.2(8) .
C18A Si3A P2 110.7(8) .
C19A Si3A P2 112.6(7) .
Si3A C17A H17D 109.5 .
Si3A C17A H17E 109.5 .
H17D C17A H17E 109.5 .
Si3A C17A H17F 109.5 .
H17D C17A H17F 109.5 .
H17E C17A H17F 109.5 .
Si3A C18A H18D 109.5 .
Si3A C18A H18E 109.5 .
H18D C18A H18E 109.5 .
Si3A C18A H18F 109.5 .
H18D C18A H18F 109.5 .
H18E C18A H18F 109.5 .
Si3A C19A H19D 109.5 .
Si3A C19A H19E 109.5 .
H19D C19A H19E 109.5 .
Si3A C19A H19F 109.5 .
H19D C19A H19F 109.5 .
H19E C19A H19F 109.5 .
C22A Si4A C20A 108.3(9) .
C22A Si4A C21A 108.5(10) .
C20A Si4A C21A 110.7(10) .
C22A Si4A P2 106.8(10) .
C20A Si4A P2 110.7(9) .
C21A Si4A P2 111.7(11) .
Si4A C20A H20D 109.5 .
Si4A C20A H20E 109.5 .
H20D C20A H20E 109.5 .
Si4A C20A H20F 109.5 .
H20D C20A H20F 109.5 .
H20E C20A H20F 109.5 .
Si4A C21A H21D 109.5 .
Si4A C21A H21E 109.5 .
H21D C21A H21E 109.5 .
Si4A C21A H21F 109.5 .
H21D C21A H21F 109.5 .
H21E C21A H21F 109.5 .
Si4A C22A H22D 109.5 .
Si4A C22A H22E 109.5 .
H22D C22A H22E 109.5 .
Si4A C22A H22F 109.5 .
H22D C22A H22F 109.5 .
H22E C22A H22F 109.5 .
Si1A P1 Si2A 111.5(3) .
Si2A P1 Si1 110.2(3) .
Si1A P1 Si2 111.3(3) .
Si1 P1 Si2 110.1(3) .
Si1A P1 Cr1 111.3(2) .
Si2A P1 Cr1 119.79(17) .
Si1 P1 Cr1 112.9(2) .
Si2 P1 Cr1 119.46(12) .
Si1A P1 Cr1 112.8(2) 2_666
Si2A P1 Cr1 118.07(18) 2_666
Si1 P1 Cr1 113.0(2) 2_666
Si2 P1 Cr1 118.61(18) 2_666
Cr1 P1 Cr1 80.02(3) 2_666
Si4 P2 Si3 105.2(5) .
Si4 P2 Si3A 109.6(5) .
Si3 P2 Si4A 110.0(5) .
Si3A P2 Si4A 114.3(5) .
Si4 P2 Cr2 120.1(4) .
Si3 P2 Cr2 112.5(3) .
Si3A P2 Cr2 113.6(3) .
Si4A P2 Cr2 117.5(4) .
Si4 P2 Cr2 120.0(4) 2_755
Si3 P2 Cr2 117.6(3) 2_755
Si3A P2 Cr2 110.4(3) 2_755
Si4A P2 Cr2 116.2(4) 2_755
Cr2 P2 Cr2 80.57(3) 2_755
C5A Cr1 C3A 59.5(7) .
C5A Cr1 C3 59.9(7) .
C3A Cr1 C3 25.6(5) .
C5A Cr1 C2 41.2(8) .
C3A Cr1 C2 55.5(8) .
C3 Cr1 C2 36.4(6) .
C5A Cr1 C4A 36.3(6) .
C3A Cr1 C4A 35.9(5) .
C3 Cr1 C4A 53.4(6) .
C2 Cr1 C4A 61.5(8) .
C5A Cr1 C2A 60.2(6) .
C3A Cr1 C2A 36.5(5) .
C3 Cr1 C2A 11.0(6) .
C2 Cr1 C2A 28.9(7) .
C4A Cr1 C2A 61.1(6) .
C5A Cr1 C1 7.7(10) .
C3A Cr1 C1 62.0(8) .
C3 Cr1 C1 58.5(7) .
C2 Cr1 C1 35.3(6) .
C4A Cr1 C1 42.8(8) .
C2A Cr1 C1 57.2(7) .
C5A Cr1 C5 28.1(7) .
C3A Cr1 C5 43.8(6) .
C3 Cr1 C5 57.9(6) .
C2 Cr1 C5 59.1(7) .
C4A Cr1 C5 9.6(7) .
C2A Cr1 C5 64.1(7) .
C1 Cr1 C5 35.2(6) .
C5A Cr1 C4 55.7(8) .
C3A Cr1 C4 10.6(7) .
C3 Cr1 C4 35.1(5) .
C2 Cr1 C4 60.6(7) .
C4A Cr1 C4 26.9(6) .
C2A Cr1 C4 45.7(6) .
C1 Cr1 C4 59.7(7) .
C5 Cr1 C4 35.7(5) .
C5A Cr1 C1A 35.5(6) .
C3A Cr1 C1A 58.0(7) .
C3 Cr1 C1A 41.2(8) .
C2 Cr1 C1A 6.6(10) .
C4A Cr1 C1A 59.2(7) .
C2A Cr1 C1A 34.7(6) .
C1 Cr1 C1A 29.2(8) .
C5 Cr1 C1A 55.7(8) .
C4 Cr1 C1A 61.8(8) .
C5A Cr1 P1 99.1(6) .
C3A Cr1 P1 154.6(4) .
C3 Cr1 P1 154.7(4) .
C2 Cr1 P1 118.6(6) .
C4A Cr1 P1 118.7(4) .
C2A Cr1 P1 146.8(4) .
C1 Cr1 P1 98.7(6) .
C5 Cr1 P1 110.8(5) .
C4 Cr1 P1 145.1(5) .
C1A Cr1 P1 113.5(6) .
C5A Cr1 P1 160.7(6) 2_666
C3A Cr1 P1 101.3(4) 2_666
C3 Cr1 P1 102.3(4) 2_666
C2 Cr1 P1 128.3(5) 2_666
C4A Cr1 P1 128.3(4) 2_666
C2A Cr1 P1 103.8(4) 2_666
C1 Cr1 P1 160.8(6) 2_666
C5 Cr1 P1 137.7(4) 2_666
C4 Cr1 P1 105.7(5) 2_666
C1A Cr1 P1 134.9(6) 2_666
P1 Cr1 P1 99.98(3) 2_666
C9 Cr2 C10 36.7(4) .
C9 Cr2 C6 58.6(4) .
C10 Cr2 C6 35.0(4) .
C9 Cr2 C7 59.8(4) .
C10 Cr2 C7 60.5(4) .
C6 Cr2 C7 35.9(4) .
C9 Cr2 C8A 46.3(4) .
C10 Cr2 C8A 62.8(5) .
C6 Cr2 C8A 51.5(4) .
C7 Cr2 C8A 22.5(4) .
C9 Cr2 C7A 57.7(4) .
C10 Cr2 C7A 46.7(4) .
C6 Cr2 C7A 18.1(3) .
C7 Cr2 C7A 17.8(3) .
C8A Cr2 C7A 35.7(3) .
C9 Cr2 C8 36.0(4) .
C10 Cr2 C8 60.6(5) .
C6 Cr2 C8 58.6(4) .
C7 Cr2 C8 35.4(4) .
C8A Cr2 C8 13.7(3) .
C7A Cr2 C8 45.6(4) .
C9 Cr2 C10A 17.3(3) .
C10 Cr2 C10A 23.1(4) .
C6 Cr2 C10A 53.5(4) .
C7 Cr2 C10A 66.8(4) .
C8A Cr2 C10A 59.1(4) .
C7A Cr2 C10A 59.0(3) .
C8 Cr2 C10A 51.2(4) .
C9 Cr2 C9A 18.3(3) .
C10 Cr2 C9A 53.0(5) .
C6 Cr2 C9A 66.3(4) .
C7 Cr2 C9A 54.7(4) .
C8A Cr2 C9A 35.4(3) .
C7A Cr2 C9A 59.2(3) .
C8 Cr2 C9A 22.3(4) .
C10A Cr2 C9A 35.6(3) .
C9 Cr2 C6A 44.3(5) .
C10 Cr2 C6A 13.2(5) .
C6 Cr2 C6A 21.9(4) .
C7 Cr2 C6A 50.9(4) .
C8A Cr2 C6A 58.2(4) .
C7A Cr2 C6A 35.3(3) .
C8 Cr2 C6A 59.5(4) .
C10A Cr2 C6A 34.2(4) .
C9A Cr2 C6A 57.7(4) .
C9 Cr2 P2 156.1(3) .
C10 Cr2 P2 139.1(5) .
C6 Cr2 P2 106.8(4) .
C7 Cr2 P2 97.0(3) .
C8A Cr2 P2 109.9(4) .
C7A Cr2 P2 102.2(2) .
C8 Cr2 P2 121.1(4) .
C10A Cr2 P2 160.4(3) .
C9A Cr2 P2 142.3(4) .
C6A Cr2 P2 126.8(3) .
C9 Cr2 P2 102.7(3) 2_755
C10 Cr2 P2 110.4(4) 2_755
C6 Cr2 P2 143.0(5) 2_755
C7 Cr2 P2 161.3(4) 2_755
C8A Cr2 P2 139.7(4) 2_755
C7A Cr2 P2 156.8(3) 2_755
C8 Cr2 P2 126.3(5) 2_755
C10A Cr2 P2 98.5(3) 2_755
C9A Cr2 P2 106.6(3) 2_755
C6A Cr2 P2 122.5(3) 2_755
P2 Cr2 P2 99.43(3) 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.39(2) .
C1 C5 1.40(2) .
C1 Cr1 2.32(3) .
C1 H1 0.9500 .
C2 C3 1.42(2) .
C2 Cr1 2.28(3) .
C2 H2 0.9500 .
C3 C4 1.391(17) .
C3 Cr1 2.276(17) .
C3 H3 0.9500 .
C4 C5 1.43(2) .
C4 Cr1 2.33(2) .
C4 H4 0.9500 .
C5 Cr1 2.32(2) .
C5 H5 0.9500 .
C1A C2A 1.38(2) .
C1A C5A 1.40(2) .
C1A Cr1 2.33(3) .
C1A H1A 0.9500 .
C2A C3A 1.431(16) .
C2A Cr1 2.306(15) .
C2A H2A 0.9500 .
C3A C4A 1.404(17) .
C3A Cr1 2.258(17) .
C3A H3A 0.9500 .
C4A C5A 1.42(2) .
C4A Cr1 2.30(2) .
C4A H4A 0.9500 .
C5A Cr1 2.25(2) .
C5A H5A 0.9500 .
C6 C10 1.350(15) .
C6 C7 1.397(14) .
C6 Cr2 2.250(9) .
C6 H6 0.9500 .
C7 C8 1.393(14) .
C7 Cr2 2.284(9) .
C7 H7 0.9500 .
C8 C9 1.404(14) .
C8 Cr2 2.297(13) .
C8 H8 0.9500 .
C9 C10 1.414(16) .
C9 Cr2 2.244(9) .
C9 H9 0.9500 .
C10 Cr2 2.246(15) .
C10 H10 0.9500 .
C6A C10A 1.365(14) .
C6A C7A 1.404(13) .
C6A Cr2 2.339(12) .
C6A H6A 0.9500 .
C7A C8A 1.405(13) .
C7A Cr2 2.296(9) .
C7A H7A 0.9500 .
C8A C9A 1.404(13) .
C8A Cr2 2.284(13) .
C8A H8A 0.9500 .
C9A C10A 1.415(12) .
C9A Cr2 2.327(9) .
C9A H9A 0.9500 .
C10A Cr2 2.300(10) .
C10A H10A 0.9500 .
Si1 C11 1.856(11) .
Si1 C13 1.866(10) .
Si1 C12 1.869(10) .
Si1 P1 2.237(8) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
Si2 C15 1.869(10) .
Si2 C16 1.873(10) .
Si2 C14 1.873(10) .
Si2 P1 2.250(7) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
Si3 C17 1.860(13) .
Si3 C18 1.861(11) .
Si3 C19 1.864(10) .
Si3 P2 2.202(13) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
Si4 C20 1.858(11) .
Si4 C22 1.858(12) .
Si4 C21 1.875(11) .
Si4 P2 2.195(17) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
Si1A C13A 1.862(11) .
Si1A C12A 1.872(11) .
Si1A C11A 1.881(10) .
Si1A P1 2.233(9) .
C11A H11D 0.9800 .
C11A H11E 0.9800 .
C11A H11F 0.9800 .
C12A H12D 0.9800 .
C12A H12E 0.9800 .
C12A H12F 0.9800 .
C13A H13D 0.9800 .
C13A H13E 0.9800 .
C13A H13F 0.9800 .
Si2A C16A 1.855(10) .
Si2A C15A 1.868(11) .
Si2A C14A 1.868(11) .
Si2A P1 2.235(7) .
C14A H14D 0.9800 .
C14A H14E 0.9800 .
C14A H14F 0.9800 .
C15A H15D 0.9800 .
C15A H15E 0.9800 .
C15A H15F 0.9800 .
C16A H16D 0.9800 .
C16A H16E 0.9800 .
C16A H16F 0.9800 .
Si3A C17A 1.845(11) .
Si3A C18A 1.851(12) .
Si3A C19A 1.862(10) .
Si3A P2 2.262(12) .
C17A H17D 0.9800 .
C17A H17E 0.9800 .
C17A H17F 0.9800 .
C18A H18D 0.9800 .
C18A H18E 0.9800 .
C18A H18F 0.9800 .
C19A H19D 0.9800 .
C19A H19E 0.9800 .
C19A H19F 0.9800 .
Si4A C22A 1.852(12) .
Si4A C20A 1.857(11) .
Si4A C21A 1.866(11) .
Si4A P2 2.295(18) .
C20A H20D 0.9800 .
C20A H20E 0.9800 .
C20A H20F 0.9800 .
C21A H21D 0.9800 .
C21A H21E 0.9800 .
C21A H21F 0.9800 .
C22A H22D 0.9800 .
C22A H22E 0.9800 .
C22A H22F 0.9800 .
P1 Cr1 2.3814(9) .
P1 Cr1 2.3864(9) 2_666
P2 Cr2 2.3858(9) .
P2 Cr2 2.3869(9) 2_755
Cr1 P1 2.3864(9) 2_666
Cr2 P2 2.3869(9) 2_755
