Crystallography Open Database

Information card for entry 4328466

Preview

Coordinates	4328466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H38 N3 O9 Zn2
Calculated formula	C45 H38 N3 O9 Zn2
Title of publication	Microporous Zinc Tris[(4-carboxyl)phenylduryl]amine Framework with an Unusual Topological Net for Gas Storage and Separation
Authors of publication	Yan-Ping He; Yan-Xi Tan; Fei Wang; Jian Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1995 - 1997
a	11.9887 ± 0.0004 Å
b	18.6365 ± 0.0004 Å
c	17.9807 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4017.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328466.cif
77432	2013-03-26	cif/ Adding structures of 4328466 via cif-deposit CGI script.	4328466.cif