Crystallography Open Database

Information card for entry 4511881

Preview

Coordinates	4511881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cl2
Calculated formula	C14 H10 Cl2
Title of publication	What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?
Authors of publication	Harada, Jun; Ogawa, Keiichiro
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	5182
a	5.721 ± 0.0003 Å
b	17.3014 ± 0.001 Å
c	6.4223 ± 0.0004 Å
α	90°
β	111.047 ± 0.001°
γ	90°
Cell volume	593.28 ± 0.06 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0733
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179665 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18.	4511881.cif
124626	2014-10-06	cif/ Updating files of 4511872, 4511873, 4511874, 4511875, 4511876, 4511877, 4511878, 4511879, 4511880, 4511881, 4511882, 4511883 Original log message: Adding full bibliography for 4511872--4511883.cif.	4511881.cif
122528	2014-08-27	cif/ Adding structures of 4511872, 4511873, 4511874, 4511875, 4511876, 4511877, 4511878, 4511879, 4511880, 4511881, 4511882, 4511883 via cif-deposit CGI script.	4511881.cif