Crystallography Open Database

Information card for entry 7053590

Preview

Coordinates	7053590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H90 Cr2 N12 O33 P6
Calculated formula	C18 H88 Cr2 N12 O33 P6
Title of publication	Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds
Authors of publication	Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	12
Pages of publication	2777
a	10.5938 ± 0.0003 Å
b	17.1108 ± 0.0005 Å
c	17.6112 ± 0.0004 Å
α	116.994 ± 0.001°
β	99.0448 ± 0.0009°
γ	96.3816 ± 0.0014°
Cell volume	2748.12 ± 0.13 Å³
Cell temperature	103.1 K
Ambient diffraction temperature	103.1 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	0.0411
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
275251 (current)	2022-05-09	cif/7/05/35/ Replaced the '' sequence with a backslash symbol ('\') in multiple data values in entries 7053589-7053592.	7053590.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053590.cif
93730	2014-01-13	cif/ Adding structures of 7053589, 7053590, 7053591, 7053592 via cif-deposit CGI script.	7053590.cif