Crystallography Open Database

Information card for entry 4505919

Preview

Coordinates	4505919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H33 Cd3 N8 Na O16
Calculated formula	C47 H33 Cd3 N8 Na O16
Title of publication	A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis
Authors of publication	Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2288
a	9.978 ± 0.005 Å
b	15.705 ± 0.005 Å
c	16.4 ± 0.005 Å
α	91.537 ± 0.005°
β	100.822 ± 0.005°
γ	106.832 ± 0.005°
Cell volume	2407.1 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4505919.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505919.cif
57387	2012-05-18	cif/ Adding structures of 4505918, 4505919, 4505920, 4505921 via cif-deposit CGI script.	4505919.cif