Crystallography Open Database

Information card for entry 7209973

7209972 << 7209973 >> 7209974

Preview

Coordinates	7209973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H78 Cl2 N14 O18 Zn
Calculated formula	C80 H78 Cl2 N14 O18 Zn
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	49.17 ± 0.004 Å
b	9.0156 ± 0.0007 Å
c	18.0678 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8009.4 ± 1.1 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	0.1246
Residual factor for significantly intense reflections	0.11
Weighted residual factors for significantly intense reflections	0.3009
Weighted residual factors for all reflections included in the refinement	0.3135
Goodness-of-fit parameter for all reflections included in the refinement	1.235
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209973.cif
86888	2013-07-12	cif/ Adding structures of 7209972, 7209973, 7209974, 7209975, 7209976 via cif-deposit CGI script.	7209973.cif