Crystallography Open Database

Information card for entry 7209972

7209971 << 7209972 >> 7209973

Preview

Coordinates	7209972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 Cd Cl2 N14 O18
Calculated formula	C80 H80 Cd Cl2 N14 O18
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	49.033 ± 0.002 Å
b	8.9877 ± 0.0003 Å
c	18.4357 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8124.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1952
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	7209972.cif
86888	2013-07-12	cif/ Adding structures of 7209972, 7209973, 7209974, 7209975, 7209976 via cif-deposit CGI script.	7209972.cif