Correction to Toward Better Understanding of Isomorphism of

Mar 22, 2013 - pubs.acs.org/crystal. © 2013 American Chemical Society. 1800 dx.doi.org/10.1021/cg4003884 | Cryst. Growth Des. 2013, 13, 1800−1800...
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Additions and Corrections pubs.acs.org/crystal

Correction to Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts Ewa Tykarska* and Maria Gdaniec* Cryst. Growth Des. 2013, 13(3), 1301−1308. DOI: 10.1021/cg301768h

T

able 1 was misformatted (and cut off) in the PDF version when the final issue was published on March 6, 2013. The corrected table appears below. Table 1. Crystal Data and Refinement Details for Monobasic and Dibasic Salts of GA AGA empirical formula

KGA

CsGA

C42H61O16KC42H61O16CsC42H61O16NH4·3C2H5COOH·3H2O ·5.66CH3COOH·2.02H2O ·3.79C2H5COOH·3.21H2O

A2GA C42H60O16(NH4)2·3DMF·2H2O

K2GA C42H60O16K2·3DMF·2H2O

Cs2GA C42H60O16Cs2·3DMF·3.4H2O

CCDC no.

911596

911597

911598

911599

911600

911601

formula weight

1190.31

1237.13

1293.57

1112.30

1154.42

1367.26

crystal system

orthorhombic

orthorhombic

orthorhombic

orthorhombic

orthorhombic

orthorhombic

temperature, K

130

130

130

130

130

130

space group

P212121

P212121

P212121

P212121

P212121

P212121

unit cell dimensions, Å

a = 10.6684(2)

a = 10.1563(3)

a = 10.6730(2)

a = 9.8550(4)

a = 9.8405(1)

a = 10.2854(1)

b = 11.1245(1)

b = 11.1999(5)

b = 11.1804(2)

b = 11.2823(3)

b = 11.2520(1)

b = 11.4845(1)

c = 51.3881(7)

c = 53.615(2)

c = 51.567(1)

c = 52.659(3)

c = 52.2345(2)

c = 51.8388(6)

6098.8(2)

6098.7(4)

6153.4(2)

5855.0(5)

5783.68(8)

6123.3(1)

4

4

4

4

4

4

calc density, g/cm3 1.296

1.347

1.396

1.262

1.326

1.483

absorption coefficient, mm−1

1.520

5.396

0.813

2.099

9.927

volume, Å

3

Z

0.872

refl collected

33519

16054

32127

14687

27632

31208

independent refl

10434

9830

10451

5816

9768

10437

9830/91/775

10451/2/788

5816/86/772

9768/0/731

10437/10/707

data/restraints/pa- 10434/0/760 rameters GOF on F2

1.062

final R indices [I > R1 = 0.0548 2σ(I)] wR2 = 0.1577 R indices (all data) R1 = 0.0552 largest peak and hole, e A−3

1.059

1.114

1.056

1.092

1.045

R1 = 0.0556

R1 = 0.0432

R1 = 0.0595

R1 = 0.0503

R1 = 0.0481

wR2 = 0.1548

wR2 = 0.1180

wR2 = 0.1727

wR2 = 0.1428

wR2 = 0.1329

R1 = 0.0562

R1 = 0.0440

R1 = 0.0607

R1 = 0.0508

R1 = 0.0490

wR2 = 0.1583

wR2 = 0.1557

wR2 = 0.1188

wR2 = 0.1743

wR2 = 0.1434

wR2 = 0.1340

1.05, −0.55

0.40, −0.38

0.62, −0.47

0.66, −0.38

0.83,−0.37

1.18, −1.12

Published: March 22, 2013 © 2013 American Chemical Society

1800

dx.doi.org/10.1021/cg4003884 | Cryst. Growth Des. 2013, 13, 1800−1800