Crystallography Open Database

Information card for entry 7715784

Preview

Coordinates	7715784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cl N O7
Calculated formula	C4 H11.9997 Cl N O7
Title of publication	Plastic phase transitions in tris(hydroxymethyl)aminomethane perchlorate.
Authors of publication	Zhou, Feng; Weng, Yan-Ran; Shi, Yu; Yu, Yun-Hui; Lu, Dan; Yu, Yong; She, Jia-Zi; Ai, Yong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	18
Pages of publication	7965 - 7970
a	8.0483 ± 0.0002 Å
b	8.0483 ± 0.0002 Å
c	23.8037 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1335.31 ± 0.05 Å³
Cell temperature	299.98 ± 0.1 K
Ambient diffraction temperature	299.98 ± 0.1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293111 (current)	2024-07-05	cif/ Updating files of 7715784 Original log message: Adding full bibliography for 7715784.cif.	7715784.cif
291278	2024-04-19	cif/ Adding structures of 7715784 via cif-deposit CGI script.	7715784.cif