Crystallography Open Database

Information card for entry 7218909

Preview

Coordinates	7218909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C276 H198 N42 O86 Zn23
Calculated formula	C276 H198 N42 O86 Zn23
Title of publication	Four new metal‒organic frameworks based on bi-, tetra-, penta-, and hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid: syntheses, structures and properties
Authors of publication	He, Hongming; Du, Jianshi; Su, Hongmin; Yuan, Yinhong; Song, Yang; Sun, Fuxing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	5
Pages of publication	1201
a	26.655 ± 0.0004 Å
b	26.655 ± 0.0004 Å
c	85.13 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	52381 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.103
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2348
Weighted residual factors for all reflections included in the refinement	0.255
Goodness-of-fit parameter for all reflections included in the refinement	1.225
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
180520 (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 7/21/89.	7218909.cif
133215	2015-03-06	cif/ Updating files of 7218907, 7218908, 7218909, 7218910 Original log message: Adding full bibliography for 7218907--7218910.cif.	7218909.cif
127890	2014-11-26	cif/ Adding structures of 7218907, 7218908, 7218909, 7218910 via cif-deposit CGI script.	7218909.cif