Crystallography Open Database

Information card for entry 4510357

Preview

Coordinates	4510357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H64 N6 O30 Zn5
Calculated formula	C63.96 H57.84 N5.98 O30 Zn5
Title of publication	A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects
Authors of publication	Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1998
a	24.942 ± 0.003 Å
b	24.942 ± 0.003 Å
c	24.942 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	15517 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.74999 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510357.cif
109055	2014-04-07	cif/ Adding structures of 4510357, 4510358 via cif-deposit CGI script.	4510357.cif