Crystallography Open Database

Information card for entry 1508384

Preview

Coordinates	1508384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 B0.5 N O
Calculated formula	C20 H20 B0.5 N O
Title of publication	Synthesis, Structure and Solid State Properties of Cyclohexanemethylamine Substituted Phenalenyl Based Molecular Conductor
Authors of publication	Bag, Pradip; Itkis, Mikhail E.; Pal, Sushanta K.; Bekyarova, Elena; Donnadieu, Bruno; Haddon, Robert C.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	446 - 465
a	21.4373 ± 0.0015 Å
b	6.1623 ± 0.0004 Å
c	23.2775 ± 0.0016 Å
α	90°
β	97.597 ± 0.004°
γ	90°
Cell volume	3048 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508384.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508384.cif
68925	2012-11-25	cif/ Adding structures of 1508384 via cif-deposit CGI script.	1508384.cif