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. 2008 Sep 24;64(Pt 10):m1310. doi: 10.1107/S1600536808029681
x y z Uiso*/Ueq
Cr1 0.40542 (6) 0.60336 (5) 0.62841 (5) 0.0131 (2)
Cr2 0.17034 (6) 0.56625 (5) 0.73703 (5) 0.0135 (2)
Cr3 0.18005 (6) 0.73269 (6) 0.58877 (5) 0.0140 (2)
O1 0.4536 (3) 0.6151 (3) 0.7549 (2) 0.0198 (8)
O2 0.2966 (3) 0.5724 (3) 0.8261 (3) 0.0205 (8)
O3 0.3914 (3) 0.4689 (3) 0.6374 (3) 0.0184 (7)
O4 0.2208 (3) 0.4442 (3) 0.6949 (3) 0.0198 (8)
O5 0.1056 (3) 0.6751 (3) 0.7966 (3) 0.0195 (7)
O6 0.0969 (3) 0.7819 (3) 0.6894 (3) 0.0195 (8)
O7 0.0316 (3) 0.5543 (3) 0.6608 (3) 0.0189 (7)
O8 0.0452 (3) 0.6588 (3) 0.5512 (3) 0.0192 (7)
O9 0.3030 (3) 0.8221 (3) 0.6195 (2) 0.0174 (7)
O10 0.4560 (3) 0.7309 (3) 0.6132 (3) 0.0193 (8)
O11 0.2517 (3) 0.7039 (3) 0.4743 (2) 0.0176 (7)
O12 0.3748 (3) 0.5871 (3) 0.4972 (2) 0.0172 (7)
O13 0.2517 (3) 0.6341 (2) 0.6511 (2) 0.0147 (7)
O14 −0.0709 (3) 0.5678 (3) 0.9306 (3) 0.0256 (9)
O15 −0.2549 (4) 0.5997 (3) 0.9442 (3) 0.0299 (10)
H15 −0.2433 0.6221 0.9951 0.045*
O16 0.7058 (3) 0.7280 (3) 0.5673 (3) 0.0267 (9)
O17 0.8176 (4) 0.7184 (3) 0.6842 (3) 0.0290 (9)
O18 0.8263 (4) 0.8364 (3) 0.5964 (3) 0.0358 (11)
O1W 0.5731 (3) 0.5752 (3) 0.6032 (2) 0.0172 (7)
H11 0.6042 0.6224 0.5825 0.026*
H12 0.5765 0.5321 0.5662 0.026*
O2W 0.0843 (3) 0.4914 (3) 0.8268 (3) 0.0200 (8)
H21 0.0592 0.5266 0.8661 0.030*
H22 0.1285 0.4524 0.8505 0.030*
O3W 0.1111 (3) 0.8387 (3) 0.5119 (3) 0.0222 (8)
H31 0.0424 0.8465 0.5247 0.033*
H32 0.1152 0.8250 0.4578 0.033*
N1 0.7827 (4) 0.7597 (3) 0.6176 (3) 0.0214 (9)
C1 0.3976 (4) 0.6011 (3) 0.8241 (3) 0.0161 (9)
C2 0.4557 (5) 0.6207 (4) 0.9128 (4) 0.0213 (10)
H2A 0.4404 0.6845 0.9302 0.032*
H2B 0.5383 0.6116 0.9081 0.032*
H2C 0.4260 0.5787 0.9577 0.032*
C3 0.3122 (4) 0.4166 (4) 0.6615 (3) 0.0163 (9)
C4 0.3268 (5) 0.3144 (4) 0.6485 (4) 0.0233 (11)
H4A 0.3005 0.2816 0.7011 0.035*
H4B 0.4077 0.3005 0.6398 0.035*
H4C 0.2818 0.2946 0.5961 0.035*
C5 0.0764 (4) 0.7537 (4) 0.7646 (4) 0.0175 (10)
C6 0.0117 (5) 0.8165 (4) 0.8254 (4) 0.0213 (11)
H6A −0.0703 0.8035 0.8194 0.032*
H6B 0.0259 0.8809 0.8092 0.032*
H6C 0.0375 0.8060 0.8871 0.032*
C7 −0.0024 (4) 0.5925 (4) 0.5887 (3) 0.0173 (10)
C8 −0.1111 (4) 0.5551 (4) 0.5464 (4) 0.0217 (11)
H8A −0.1116 0.5672 0.4823 0.033*
H8B −0.1771 0.5854 0.5727 0.033*
H8C −0.1154 0.4886 0.5567 0.033*
C9 0.4087 (4) 0.8085 (4) 0.6238 (3) 0.0163 (9)
C10 0.4856 (5) 0.8895 (4) 0.6411 (4) 0.0214 (11)
H10A 0.4417 0.9466 0.6336 0.032*
H10B 0.5480 0.8887 0.5991 0.032*
H10C 0.5172 0.8862 0.7020 0.032*
C11 0.3182 (4) 0.6420 (3) 0.4472 (3) 0.0154 (9)
C12 0.3291 (5) 0.6330 (4) 0.3480 (3) 0.0213 (10)
H12A 0.2693 0.5918 0.3244 0.032*
H12B 0.4044 0.6076 0.3349 0.032*
H12C 0.3208 0.6939 0.3203 0.032*
C13 −0.1699 (4) 0.5671 (4) 0.9000 (4) 0.0196 (10)
C14 −0.2012 (5) 0.5280 (4) 0.8109 (4) 0.0220 (11)
H14A −0.1439 0.5463 0.7679 0.033*
H14B −0.2763 0.5515 0.7914 0.033*
H14C −0.2040 0.4606 0.8148 0.033*