Crystallography Open Database

Information card for entry 7209974

7209973 << 7209974 >> 7209975

Preview

Coordinates	7209974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 Cu I N9 O6
Calculated formula	C43 H45 Cu I N9 O6
Title of publication	Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties
Authors of publication	Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	26
Pages of publication	5337
a	25.242 ± 0.009 Å
b	19.401 ± 0.007 Å
c	8.718 ± 0.003 Å
α	90°
β	91.011 ± 0.006°
γ	90°
Cell volume	4269 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2713
Weighted residual factors for all reflections included in the refinement	0.2845
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209974.cif
86888	2013-07-12	cif/ Adding structures of 7209972, 7209973, 7209974, 7209975, 7209976 via cif-deposit CGI script.	7209974.cif