Crystallography Open Database

Information card for entry 1518956

Preview

Coordinates	1518956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H130 N12 O32 Zr6
Calculated formula	C216 H120 N12 O32 Zr6
Title of publication	Stable porphyrin Zr and Hf metal‒organic frameworks featuring 2.5 nm cages: high surface areas, SCSC transformations and catalyses
Authors of publication	Zheng, Jun; Wu, Mingyan; Jiang, Feilong; Su, Weiping; Hong, Maochun
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	6
Pages of publication	3466
a	25.4376 ± 0.0001 Å
b	25.4376 ± 0.0001 Å
c	25.4376 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	16459.9 ± 0.11 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 0.1 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518956.cif
138475	2015-06-07	cif/ Updating files of 1518956, 1518957, 1518958, 1518959 Original log message: Adding full bibliography for 1518956--1518959.cif.	1518956.cif
134599	2015-04-02	cif/ Adding structures of 1518956, 1518957, 1518958, 1518959 via cif-deposit CGI script.	1518956.cif