Crystallography Open Database

Information card for entry 2000122

2000121 << 2000122 >> 2000123

Preview

Coordinates	2000122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 D4 I2
Calculated formula	C12 D8 I4
Title of publication	Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Authors of publication	Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
Journal of publication	Journal of Solid State Chemistry
Year of publication	1994
Journal volume	110
Journal issue	1
Pages of publication	20 - 27
a	17 Å
b	7.323 Å
c	6.168 Å
α	90°
β	90°
γ	90°
Cell volume	767.86 Å³
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.121
Weighted residual factors for significantly intense reflections	0.121
Diffraction radiation probe	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2000122.html