Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations

Meyer, Mathias; Paciorek, W. A.; Schenk, Klaus; Chapuis, G.; Depmeier, Wulf

doi:10.1107/s0108768193011425

Cited by 7 publications

(7 citation statements)

References 16 publications

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“…This suggests that the inter-strand packing has a marked effect on the structure of Me 3 SnOH. It has also been suggested that a modulated description 77,78 (vide infra) may be more appropriate for Me 3 SnOH and the structure may be even more subtle than previously supposed.…”

Section: Helicesmentioning

confidence: 99%

“…A great deal of insight into the ''real'' (as opposed to crystallographically averaged) way in which many subtle, non-commensurate structures pack has been demonstrated by superspace refinement methods, in particular the recent work of Chapuis. 77,78 Some large Z' structures are actually disorder averages of more symmetrical structures exhibiting superspace modulation (e.g. a relatively smoothly or continuously changing orientation or relative disposition across many unit cells).…”

Section: Modulated and Incommensurate Structuresmentioning

confidence: 99%

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Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

Steed

2003

CrystEngComm

297

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About 8% of crystal structures contain more than one independent molecule or formula unit; the number being denoted by the parameter Z'. To most chemists and crystallographers such structures are nothing but a pain in the scientific rear! The crystallographer has to waste valuable data collection and computing power determining the structure of two or more often almost identical molecules, while the chemist writing a paper has to go to the trouble of making sure that ''the second independent molecule does not differ significantly from the first''. With the advent of modern data collection and computational hardware these irritations have been to some extent ameliorated. Moreover, to a slowly growing body of 'crystal chemists' the interactions between crystallographically independent molecules represent a rich hunting ground for understanding solid state packing. Why should such structures form when nine times out of ten, crystallographic symmetry results in perfectly decent packing arrangements? Most importantly, can we learn something about the phase behaviour and materials properties of solids by understanding these special cases, perhaps with a view to using them in a predictive fashion? This survey sets out to collate existing data and interpretations on structures with high Z' values as well as to highlight some interesting case studies and make some suggestions about future directions.

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Section: Helicesmentioning

confidence: 99%

Section: Modulated and Incommensurate Structuresmentioning

confidence: 99%

Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

Steed

2003

CrystEngComm

297

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“…Only those with atomic coordinates reported were considered. The search revealed that the following compounds exhibit 2D hybrid halide perovskite structures, with the CSD 39 reference codes (refcodes) and the organic cation indicated: methylammonium: MATCMN01 , 57 MATCMN04 , 58 MATCMN05 , 59 MATCMN07 , 60 MATCMN12 ; 61 n -ethylammonium: EAMNCL , 62 and EAMNCL11 , 63 n -propylammonium: PAMMNC01 , 64 PAMMNC10 , 65 PAMMNC13 , 8 PAMMNC36 ; 66 n -decylammonium: DECACM , 67 DECACM01 , 11 DECACM02 , 11 and n -undecylammonium: TAZQUJ . 15…”

Section: Resultsmentioning

confidence: 99%

The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation

Bothma,

Sheppard,

Turnbull

et al. 2023

CrystEngComm

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“…Although incommensurate structures appear frequently in inorganic (Baldinozzi et al, 1998;Boucher et al, 1996;Miles et al, 1998;Shaw et al, 1988;Speziali & Pimenta, 2004) or metalorganic materials (Lam et al, 1995;Meyer et al, 1994;Steurer & Depmeier, 1989), fewer reports are available to date concerning organic compounds (Zuñ iga et al, 1989;Schö nleber & Chapuis, 2004).…”

Section: Introductionmentioning

confidence: 99%

The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C₂₂H₂₀O₃

Guiblin

Führer

Häner

et al. 2006

Acta Crystallogr Sect B

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3,4-Diphenyl-2a,5a,6,7,8,8a,8b-heptahydro-furo[4,3,2-de]chromen-2-one (1) was prepared as part of a project aimed at the synthesis of polycyclic natural-product-like scaffolds. X-ray analysis of crystals grown from ethanol revealed an incommensurately modulated structure. Data include main and satellite reflections up to second order. The modulation vector was refined using the NADA program. The modulated character of the structure of the organic compound C(22)H(20)O(3) is interpreted in terms of the intermolecular C-H...O hydrogen bonds and close-contact approximation.

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Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations

Cited by 7 publications

References 16 publications

Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation

The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C₂₂H₂₀O₃

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Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations

Cited by 7 publications

References 16 publications

Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

Should solid-state molecular packing have to obey the rules of crystallographic symmetry?

The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation

The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C22H20O3

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The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C₂₂H₂₀O₃