Crystallography Open Database

Information card for entry 4506732

Preview

Coordinates	4506732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cd N2 O8
Calculated formula	C21 H19 Cd N2 O8
Title of publication	(4,4)-Connected Self-penetrating Pillared-Layered Metal‒Organic Framework Based on a Nanosized Flexible Aromatic Carboxylic Acid Ligand
Authors of publication	Cao, Li-Hui; Li, Hai-Yang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4299
a	22.275 ± 0.005 Å
b	9.1138 ± 0.0018 Å
c	22.091 ± 0.004 Å
α	90°
β	105.39 ± 0.03°
γ	90°
Cell volume	4323.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
179603 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67.	4506732.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506732.cif
71790	2013-01-21	cif/ Adding structures of 4506732 via cif-deposit CGI script.	4506732.cif