Crystallography Open Database

Information card for entry 7053593

Preview

Coordinates	7053593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H92 N14 O43 Zn8
Calculated formula	C124 H72 N13 O43 Zn8
Title of publication	A two-fold interpenetrated (3,6)-connected metal‒organic framework with rutile topology showing a large solvent cavity
Authors of publication	Song, Xiaokai; Zou, Yang; Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	11
Pages of publication	2396
a	36.13 ± 0.007 Å
b	27.033 ± 0.005 Å
c	34.291 ± 0.007 Å
α	90°
β	108.81 ± 0.03°
γ	90°
Cell volume	31703 ± 12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.2347
Weighted residual factors for all reflections included in the refinement	0.2602
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	0.75 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180089 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/35.	7053593.cif
93731	2014-01-13	cif/ Adding structures of 7053593 via cif-deposit CGI script.	7053593.cif