Crystallography Open Database

Information card for entry 7213607

Preview

Coordinates	7213607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H28 N4 O4 Zn
Calculated formula	C37 H28 N4 O4 Zn
Title of publication	Two pairs of isomorphism and two 3D metal‒organic frameworks based on a star-like ligand tri(4-pyridylphenyl)amine
Authors of publication	Meng, Fandian; Qin, Ling; Zhang, Mingdao; Zheng, Hegen
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	4
Pages of publication	698
a	12.0822 ± 0.0008 Å
b	23.676 ± 0.0016 Å
c	29.4806 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	8433.2 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7213607.cif
105137	2014-03-11	cif/ Adding structures of 7213607, 7213608, 7213609, 7213610, 7213611, 7213612 via cif-deposit CGI script.	7213607.cif