Crystallography Open Database

Information card for entry 4503141

Preview

Coordinates	4503141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Cd5 Cl4 N4 O24
Calculated formula	C60 H76 Cd5 Cl4 N4 O24
Title of publication	Amine-Templated Assembly of Metal‒Organic Frameworks with Attractive Topologies
Authors of publication	Fang, Qianrong; Zhu, Guangshan; Xue, Ming; Wang, Zhuopeng; Sun, Jinyu; Qiu, Shilun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	319
a	20.1824 ± 0.0014 Å
b	20.1824 ± 0.0014 Å
c	12.6052 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5134.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179562 (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 4/50/31.	4503141.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503141.cif
41376	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503141 via cif-deposit CGI script.	4503141.cif