Crystallography Open Database

Information card for entry 7246272

Preview

Coordinates	7246272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H38 Cl N O11
Calculated formula	C19 H38 Cl N O11.002
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	15.673 ± 0.0017 Å
b	10.8757 ± 0.0009 Å
c	14.278 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2433.8 ± 0.4 Å³
Cell temperature	365.01 ± 0.11 K
Ambient diffraction temperature	365.01 ± 0.11 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.3081
Residual factor for significantly intense reflections	0.2497
Weighted residual factors for significantly intense reflections	0.623
Weighted residual factors for all reflections included in the refinement	0.659
Goodness-of-fit parameter for all reflections included in the refinement	2.479
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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