Crystallography Open Database

Information card for entry 7707191

Preview

Coordinates	7707191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cl0.45 Hg I2.55 N
Calculated formula	C4 H12 Cl0.445 Hg I2.555 N0.75
Title of publication	Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.
Authors of publication	Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	22
Pages of publication	7563 - 7570
a	8.3889 ± 0.0019 Å
b	9.4194 ± 0.0017 Å
c	16.052 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1268.4 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.1964
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2195
Weighted residual factors for all reflections included in the refinement	0.2576
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267148 (current)	2021-07-05	cif/ Updating files of 7707190, 7707191, 7707192 Original log message: Adding full bibliography for 7707190--7707192.cif.	7707191.cif
264509	2021-04-25	cif/ Adding structures of 7707190, 7707191, 7707192 via cif-deposit CGI script.	7707191.cif