Crystallography Open Database

Information card for entry 4503311

Preview

Coordinates	4503311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H28.5 Cd4 K N10.5 O19.5
Calculated formula	C32.5 H18.5 Cd4 K N10.5 O19.45
Title of publication	Four 3D Porous Metal−Organic Frameworks with Various Layered and Pillared Motifs
Authors of publication	Lu, Wen-Guan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	986
a	19.374 ± 0.002 Å
b	14.8874 ± 0.0018 Å
c	15.3721 ± 0.0018 Å
α	90°
β	111.753 ± 0.002°
γ	90°
Cell volume	4118 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.111
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2422
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503311.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503311.cif
41479	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503311 via cif-deposit CGI script.	4503311.cif