The Crystal Structure of Lithium Oxalate Monoperhydrate, Li2C2O4.H2O2.

Pedersen, Berit F.; Troy, Larsen,; Soling, H.; Torbjörnsson, Lena; Werner, Per‐Erik; Junggren, Ulf; Lamm, Bo; Samuelsson, Benny

doi:10.3891/acta.chem.scand.23-1871

Cited by 30 publications

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“…Model (i) in which some of this H202 was randomly replaced by water, a characteristic sometimes seen in perhydrates (Pedersen, 1972b), had certain anomalous features. Any idea that the relatively high stability of sodium percarbonate would be reflected in the short (and therefore strong) hydrogen bonds is shown to be unconvincing since the distances found are similar to those found in other simple perhydrates of much lower stability (Adams & Pritchard, 1976;Pedersen, 1969Pedersen, , 1972aPedersen & Pedersen, 1964) where they are 2.59-2.69/~. This possibility was investigated by Raman spectroscopy and was discounted; the compound was also shown to be diamagnetic which confirmed the absence of triplet 0 2.…”

Section: Discussionmentioning

confidence: 83%

The crystal structure of sodium percarbonate: an unusual layered solid

Adams¹,

Pritchard²

1977

Acta Crystallogr Sect B

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The structure of sodium percarbonate, Na2CO 3. 1½HzO2, has been solved from film-scanned data and refined toR =0.114.[Aba2, =9.224(4),b: 15.805(4),c=6.747(2)A,Z=8, d,,,=2.05, d c=2.12gcm -3 2~(Cu Kt h) = 1.54051A.] The CO s ions and H202 molecules lie in planes about 3.5 A apart, although the H202 molecules are inclined somewhat with respect to the CO 3 ions. The Na ions are midway between these molecular sheets. One of the H202 molecules is disordered between two possible orientations.

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Section: Discussionmentioning

confidence: 83%

The crystal structure of sodium percarbonate: an unusual layered solid

Adams¹,

Pritchard²

1977

Acta Crystallogr Sect B

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“…Initial positions of all atoms, including hydrogen, were determined from Patterson and Fourier syntheses (Pedersen, 1969c), but as already pointed out indications of non-stoichiometry in this compound were evident. From the appearance of the Fourier map there seemed too much scattering density at the position of the oxygen atom of HzOz, as the thermal parameter for this atom was significantly larger than for the other atoms; furthermore the length of the O-O bond was determined to be less than 1.40 A which seemed unreasonable.…”

Section: Structure Refinementmentioning

confidence: 99%

“…In this paper the crystal structure of ammonium oxalate monoperhydrate will be described in detail. A preliminary note (Pedersen, 1969c) has been publishcd, but as indications of non-stoichiometry were found in this compound, a detailed discussion was postponed until more accurate intensity data were available. The crystal structure of ammonium oxalate monoperhydrate is closely related to the structure of ammonium oxalate monohydrate (Robertson, 1965).…”

Section: Introductionmentioning

confidence: 99%

The crystal structure of ammonium oxalate monoperhydrate

Pedersen¹

1972

Acta Crystallogr B Struct Crystallogr Cryst Chem

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“…4). This type of scheme has been seen in the related perhydrate, guanidinium pyrophosphate sesquihydrate monoperhydrate (Adams & Ramdas, 1978), whereas in the series of alkali-metal oxalate perhydrates of Pedersen (1967Pedersen ( , 1969Pedersen ( , 1972a and Pedersen & Pedersen (1964) the hydrogen peroxide molecules only accept two hydrogen bonds. It may be noted that in the extremely stable perhydrate formed by urea, each H20 2 molecule accepts four hydrogen bonds (Lu, Hughes & Gigu6re, 1941).…”

Section: Structure Determinationmentioning

confidence: 89%

The crystal structure of guanidinium pyromellitate trihydrate monoperhydrate

Adams¹,

Ramdas²

1978

Acta Crystallogr Sect B

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2781to be the same as those observed but making all C-H bond lengths 1.10/~. The effect of this calculation on the non-bonded contacts listed in Table 3 is indicated by the entries in the column headed 'With ideal C--H distances'.Thus the crystal structure shows the features predicted by the potential-energy calculations. The HMB C atoms are not coplanar, although they are more so than the minimum-energy structure for an isolated molecule. The flatness of the minimum with respect to planarity facilitates a shorter TCNE-HMB interplanar spacing. The TCNE molecules in the two alternative positions have very similar non-bonded interactions with the HMB. The structure of [C(NH2)314(O2C)2C6H2(CO2)2.3H20.H20 2 has been solved using microdensitometermeasured data and refined to R = 0-096. The space group is P1 [a = 7.35 (2), b = 10-03 (2), c = 10.24 (2) /~, a = 105-5 (3), fl = 116.4 (2), y = 72.3 (2) °] and the H202 molecules substitute in two equivalent water molecule positions with site occupancy of approximately one-half. All of the H atoms of the guanidinium ions are involved in the hydrogen-bonding scheme. The hydrogen peroxide molecules accept three hydrogen bonds and donate two. The carboxyl groups of the pyromellitate fragment are twisted by 15-9 and 84.5 ° with respect to the benzene ring, values significantly different from those found in pyromeUitic acid dihydrate (21.4 and 74.5°).

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The Crystal Structure of Lithium Oxalate Monoperhydrate, Li2C2O4.H2O2.

Cited by 30 publications

References 0 publications

The crystal structure of sodium percarbonate: an unusual layered solid

The crystal structure of sodium percarbonate: an unusual layered solid

The crystal structure of ammonium oxalate monoperhydrate

The crystal structure of guanidinium pyromellitate trihydrate monoperhydrate

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