Crystallography Open Database

Information card for entry 7246274

Preview

Coordinates	7246274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H38 Cl N O11
Calculated formula	C19 H38 Cl N O11
Title of publication	Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates
Authors of publication	Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	9
Pages of publication	1333 - 1338
a	17.1801 ± 0.0004 Å
b	15.4816 ± 0.0005 Å
c	17.8001 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4734.4 ± 0.2 Å³
Cell temperature	200.04 ± 0.1 K
Ambient diffraction temperature	200.04 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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