Crystallography Open Database

Information card for entry 4307293

Preview

Coordinates	4307293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 N Ni O6 S10
Calculated formula	C28 H42 N Ni O6 S10
Title of publication	Supramolecular Rotor: Adamantylammonium([18]crown-6) in [Ni(dmit)2]- Salt
Authors of publication	Daisuke Sato; Tomoyuki Akutagawa; Sadamu Takeda; Shin-ichiro Noro; Takayoshi Nakamura
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	363 - 365
a	11.049 ± 0.005 Å
b	13.49 ± 0.008 Å
c	14.673 ± 0.009 Å
α	68.231 ± 0.02°
β	72.82 ± 0.02°
γ	83.22 ± 0.02°
Cell volume	1940.3 ± 1.9 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.195
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4307293.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307293.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307293.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307293.cif