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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2004278.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_2004278
_journal_name_full  'Acta Crystallographica'
_journal_year       1995
_journal_volume    	C51
_journal_page_first    	2484
_journal_page_last    	2486
_publ_section_title    	
;
Tris(O,O'-dicyclohexyl dithiophosphato-S,S')chromium(III)
;
_chemical_formula_sum    	'C36 H66 Cr O6 P3 S6'
_chemical_formula_weight    	932.19
_symmetry_cell_setting    	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'1/2+x,1/2-y,1/2+z'
'-x,-y,-z'
'1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'P 21/n'
_cell_length_a    	16.578(3)
_cell_length_b    	10.193(8)
_cell_length_c    	31.574(4)
_cell_angle_alpha    	90
_cell_angle_beta    	100.92(1)
_cell_angle_gamma    	90
_cell_volume    	5239(4)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.18
_cell_measurement_temperature    	296
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
Cr 0.53839(4) 0.15881(8) 0.84288(2) 2.77(3)
S(1) 0.58075(8) 0.3137(1) .79299(4) 3.72(6)
S(2) 0.57232(8) 0.0022(1) 0.79069(4) 3.75(6)
S(3) 0.39313(8) 0.1547(2) 0.81028(5) 3.84(6)
S(4) 0.49203(8) 0.3368(1) 0.88366(4) 3.56(6)
S(5) 0.51823(8) -0.0142(1) 0.89246(4) 3.80(6)
S(6) 0.67497(8) 0.1604(1) 0.88819(4) 3.63(6)
P(1) 0.60347(8) 0.1574(2) 0.75905(4) 3.52(6)
P(2) 0.37940(8) 0.3005(1) 0.85050(5) 3.40(6)
P(3) 0.63290(9) 0.0219(1) 0.92313(4) 3.64(6)
O(1) 0.5591(2) 0.1621(4) 0.7101(1) 5.0(2)
O(2) 0.6935(2) 0.1534(4) 0.7506(1) 4.4(2)
O(3) 0.3353(2) 0.4254(4) 0.8275(1) 4.1(2)
O(4) 0.3139(2) 0.2722(4) 0.8795(1) 4.4(2)
O(5) 0.6407(2) 0.0627(4) 0.9721(1) 4.6(2)
O(6) 0.6873(2) -0.1044(4) 0.9314(1) 4.6(2)
C(11) 0.4699(4) 0.1479(7) 0.6979(2) 4.7(3)
C(12) 0.4320(5) 0.2731(9) 0.6830(4) 9.4(5)
C(13) 0.3405(5) 0.254(1) 0.6690(5) 11.2(7)
C(14) 0.3235(6) 0.156(2) 0.6326(3) 11.6(7)
C(15) 0.3626(7) 0.030(1) 0.6495(5) 14.5(9)
C(16) 0.4509(5) 0.038(1) 0.6666(3) 10.3(6)
C(21) 0.7645(3) 0.1522(6) 0.7858(2) 3.7(2)
C(22) 0.8104(7) 0.270(1) 0.7860(6) 17.3(9)
C(23) 0.8891(8) 0.265(1) 0.8207(7) 21(1)
C(24) 0.9398(5) 0.150(2) 0.8175(3) 10.9(7)
C(25) 0.8900(7) 0.035(1) 0.8193(5) 15.4(8)
C(26) 0.8138(6) 0.038(1) 0.7827(5) 16.1(8)
C(31) 0.3751(3) 0.5084(6) 0.7995(2) 3.9(2)
C(32) 0.3161(4) 0.5283(7) 0.7585(2) 5.8(3)
C(33) 0.3510(4) 0.624(1) 0.7296(2) 7.4(4)
C(34) 0.3770(6) 0.751(1) 0.7533(4) 9.0(6)
C(35) 0.4353(6) 0.7265(8) 0.7938(3) 8.3(5)
C(36) 0.3998(5) 0.6355(8) 0.8219(2) 6.8(4)
C(41) 0.3256(4) 0.1635(6) 0.9118(2) 4.7(3)
C(42) 0.2637(5) 0.0611(7) 0.8969(2) 6.4(4)
C(43) 0.1776(5) 0.1075(9) 0.8976(3) 7.6(5)
C(44) 0.1708(5) 0.159(1) 0.9416(3) 8.2(5)
C(45) 0.2301(5) 0.2650(9) 0.9545(2) 7.2(4)
C(46) 0.3173(4) 0.2222(7) .9547(2) 6.0(3)
C(51) 0.6157(3) 0.1919(5) 0.9845(2) 3.7(2)
C(52) 0.6896(4) 0.2613(8) 1.0063(2) 6.2(4)
C(53) 0.6654(6) 0.3965(8) 1.0227(3) 8.2(5)
C(54) 0.6024(6) 0.3825(8) 1.0501(2) 7.6(4)
C(55) 0.5303(5) 0.3074(8) 1.0289(3) 7.2(4)
C(56) 0.5528(4) 0.1744(6) 1.0123(2) 5.5(3)
C(61) 0.6980(4) -0.1915(6) 0.8966(2) 4.9(3)
C(62) 0.6584(6) -0.318(1) 0.9005(3) 9.4(6)
C(63) 0.6741(9) -0.412(1) 0.8662(5) 13.4(8)
C(64) 0.7647(9) -0.429(1) 0.8681(4) 11.5(7)
C(65) 0.8019(7) -0.301(1) 0.8647(5) 13.5(9)
C(66) 0.7877(5) -0.208(1) 0.8983(3) 9.5(6)
H(1) 0.4500 0.1237 0.7231 5.7
H(2) 0.4423 0.3353 0.7058 11.3
H(3) 0.4545 .3040 0.6593 11.3
H(4) 0.3184 0.218 0.6926 13.4
H(5) 0.3155 0.3351 0.6596 13.4
H(6) 0.2660 0.1450 0.6236 13.9
H(7) 0.3466 0.1863 0.6090 13.9
H(8) 0.3364 -0.0002 0.6720 17.4
H(9) 0.3542 -0.0325 0.6266 17.4
H(10) 0.4789 0.0527 0.6434 12.3
H(11) 0.4692 -0.0416 0.6806 12.3
H(12) 0.7450 0.1474 0.8121 4.4
H(13) 0.8249 0.2817 0.7586 20.8
H(14) 0.7776 0.3419 0.7919 20.8
H(15) 0.9207 0.3413 0.8181 25.0
H(16) 0.8739 0.2643 0.8483 25.0
H(17) 0.9590 0.1524 0.7910 13.0
H(18) 0.9854 0.1495 0.8408 13.0
H(19) 0.9217 -0.0408 0.8163 18.5
H(20) 0.8728 0.0326 0.8463 18.5
H(21) 0.7817 -0.0385 0.7846 19.3
H(22) 0.8311 0.0384 0.7557 19.3
H(23) 0.4226 0.4651 0.7938 4.6
H(24) 0.3056 0.4466 0.7441 6.9
H(25) 0.2662 0.5626 0.7646 6.9
H(26) 0.3974 0.5856 0.7208 8.9
H(27) 0.3103 0.6429 0.7048 8.9
H(28) 0.4024 0.8060 .7354 10.9
H(09) 0.3297 0.7934 0.7597 10.9
H(30) 0.4840 0.6890 0.7874 10.0
H(31) 0.4481 0.8073 0.8086 10.0
H(32) 0.3527 0.6752 0.8296 8.2
H(33) 0.4395 0.6187 0.8472 8.2
H(34) 0.3791 0.1275 0.9139 5.6
H(35) 0.2671 0.0372 0.8682 7.7
H(36) 0.2751 -0.0133 0.9152 7.7
H(37) 0.1637 0.1756 0.8769 9.1
H(38) 0.1406 0.0363 0.8905 9.1
H(39) 0.1168 0.1917 0.9407 9.9
H(40) 0.1814 0.0899 0.9620 9.9
H(41) 0.2170 0.3360 0.9349 8.6
H(42) 0.2260 0.2932 0.9827 8.6
H(43) 0.3329 0.1586 0.9767 7.2
H(44) 0.3526 0.2962 0.9603 7.2
H(45) 0.5919 0.2391 0.9593 4.4
H(46) 0.7164 0.2105 1.0301 7.5
H(47) 0.7258 0.2740 0.9867 7.5
H(48) 0.7129 0.4368 1.0391 9.8
H(49) 0.6440 0.4502 0.9986 9.8
H(50) 0.6265 0.3387 1.0760 9.1
H(51) 0.5850 0.4675 1.0568 9.1
H(52) 0.4953 0.2937 1.0491 8.6
H(53) 0.5020 0.3570 1.0052 8.6
H(54) 0.5051 0.1348 0.9960 6.6
H(55) 0.5746 0.1196 1.0361 6.6
H(56) 0.6741 -0.1524 0.8698 5.8
H(57) 0.6795 -0.3538 0.9281 11.3
H(58) 0.6009 -0.3043 0.8976 11.3
H(59) 0.6505 -0.4948 0.8706 16.1
H(60) 0.6496 -0.3790 0.8386 16.1
H(61) 0.7888 -0.4689 0.8947 13.8
H(62) 0.7735 -0.4831 0.8449 13.8
H(63) 0.8595 -0.3126 0.8671 16.2
H(64) 0.7795 -0.2649 0.8373 16.2
H(65) 0.8113 -0.1258 0.8936 11.4
H(66) 0.8126 -0.2410 0.9258 11.4