Crystallography Open Database

Information card for entry 7216827

Preview

Coordinates	7216827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H37 I N12 O Zn
Calculated formula	C41 H34.5 I N12 O 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	15.1138 ± 0.0001 Å
b	18.5709 ± 0.0001 Å
c	15.6792 ± 0.0001 Å
α	90°
β	117.212 ± 0.002°
γ	90°
Cell volume	3913.71 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.68899 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180499 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/68.	7216827.cif
118216	2014-06-27	cif/ Adding structures of 7216822, 7216823, 7216824, 7216825, 7216826, 7216827, 7216828 via cif-deposit CGI script.	7216827.cif