Test Crystallography Open Database

Information card for entry 7200031

7200030 << 7200031 >> 7200032

Preview

Coordinates	7200031.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMA_ICL
Chemical name	Trimethylamine Iodine Monochloride Complex
Formula	C3 H9 Cl I N
Calculated formula	C3 H9 Cl I N
Title of publication	Structural organization in the trimethylamine iodine monochloride complex
Authors of publication	Marshall, William G.; Jones, Richard H.; Knight, Kevin S.; Clews, John; Darton, Richard J.; Miller, William; Coles, Simon J.; Pitak, Mateusz B.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	35
Pages of publication	5194 - 5201
a	11.6168 ± 0.0004 Å
b	11.1573 ± 0.0003 Å
c	10.8342 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1404.24 ± 0.08 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0333
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for all reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0399
Goodness-of-fit parameter for all reflections included in the refinement	0.9793
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1150 (current)	2025-07-01	cif/ Adding structures of 7200031, 7200032, 7200033 via cif-deposit CGI script.	7200031.cif