Crystallography Open Database

Information card for entry 4503495

Preview

Coordinates	4503495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cd2 N4 O13
Calculated formula	C52 H42 Cd2 N4 O13
Title of publication	A (4,8)-Connected Fluorite Topology Framework Based on Mononuclear and Dinuclear Metal Centers
Authors of publication	Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Su, Zhong-Min
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2055
a	9.133 ± 0.0003 Å
b	10.512 ± 0.0003 Å
c	24.76 ± 0.0007 Å
α	96.492 ± 0.001°
β	95.578 ± 0.001°
γ	97.864 ± 0.001°
Cell volume	2324.28 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0292
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4503495.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503495.cif
41588	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503495 via cif-deposit CGI script.	4503495.cif