Crystallography Open Database

Information card for entry 7216825

Preview

Coordinates	7216825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.5 H52 I N9 O7.5 Zn
Calculated formula	C54.5 H37 I N9 O7.5 Zn
Title of publication	The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction
Authors of publication	Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	28
Pages of publication	6335
a	21.5 ± 0.011 Å
b	21.5 ± 0.011 Å
c	22.454 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	10379 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1357
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2329
Weighted residual factors for all reflections included in the refinement	0.2519
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216825.cif
118216	2014-06-27	cif/ Adding structures of 7216822, 7216823, 7216824, 7216825, 7216826, 7216827, 7216828 via cif-deposit CGI script.	7216825.cif