Haromy T P, Linck C F, Cleland W W, Sundaralingam M
Acta Crystallographica C46 (1990) 951-957
Structures of the meridional and facial isomers of triamminechromium
pyrophosphate dihydrate
Sample: a) meridional monoaquatriammine(pyrophosphato)-chromiun(III) dihydrate
_database_code_amcsd 0010133
7.825 10.107 15.322 90 103.92 90 P2_1/c
atom x y z Biso
Cr .3441 .1899 .0681 1.88
P1 .6920 .2786 .0063 2.00
P2 .6446 .3883 .1742 2.23
O1P1 .5193 .2039 -.0028 2.65
O2P1 .8385 .1925 -.0068 3.00
O3P1 .6678 .4029 -.0494 3.21
OP12 .7558 .3251 .1103 2.96
O1P2 .4668 .3195 .1542 2.69
O2P2 .7528 .3742 .2670 3.36
O3P2 .6234 .5362 .1506 3.46
Wat1 .2082 .0601 -.0195 3.81
N1 .1652 .1726 .1464 3.09
N2 .4791 .0331 .1377 2.94
N3 .1918 .3327 -.0090 3.13
Wat2 .1122 .1054 -.1985 5.59
Wat3 .8053 .1012 .2984 6.22
HO3P2 .550 .557 .116 3.7
H1W1 .189 -.028 .007 3.9
H2W1 .175 .070 -.087 4.3
H1N1 .192 .227 .201 4.3
H2N1 .147 .092 .162 4.0
H3N1 .079 .195 .117 4.8
H1N2 .406 -.019 .160 4.3
H2N2 .510 -.015 .095 5.8
H3N2 .552 .058 .182 3.7
H1N3 .216 .415 .013 5.2
H2N3 .232 .330 -.064 5.3
H3N3 .063 .319 -.021 5.0
H1W2 .123 .020 -.233 4.8
H2W2 -.011 .119 -.207 5.2
H1W3 .795 .194 .287 5.1
H2W3 .768 .096 .350 5.4
Sample: (b), alpha,beta,beta'-tridentate triammine(pyrophosphato)
chromium(III)dihydrate dimer
_database_code_amcsd 0010134
8.695 10.327 11.913 90 97.81 90 P2_1/c
Cr .1165 -.1217 -.1532 2.17
P1 .2891 .1458 -.0821 2.58
P2 .1998 -.0143 .1020 2.49
O1P1 .2310 .0399 -.1623 3.88
O2P1 .2255 .2723 -.1138 7.45
O3P1 .4620 .1526 -.0625 6.47
OP12 .2427 .1137 .0394 4.34
O1P2 .1378 -.1106 .0114 2.96
O2P2 .0819 .0270 .1757 3.14
O3P2 .3439 -.0637 .1740 4.52
N1 -.0010 -.2925 -.1430 3.55
N2 .0923 -.1415 -.3253 3.53
N3 .3226 -.2205 -.1445 4.24
Wat1 .4706 .5864 .1618 6.51
Wat2 .2374 .5120 -.0105 7.27
HO3P2 .431 -.115 .126 11.3
H1N1 -.075 -.285 -.119 5.6
H2N1 .060 -.351 -.106 4.3
H3N1 -.035 -.307 -.213 7.0
H1N2 .006 -.162 -.345 4.3
H2N2 .134 -.201 -.342 3.3
H3N2 .123 -.086 -.355 3.9
H1N3 .368 -.198 -.190 7.6
H2N3 .366 -.212 -.092 5.1
H3N3 .315 -.299 -.159 5.9
H1W1 .536 .518 .201 6.5
H2W1 .539 .671 .142 9.6
H1W2 .247 .445 -.030 5.8
H2W2 .335 .517 .034 6.0
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