Crystallography Open Database

Information card for entry 4505921

Preview

Coordinates	4505921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H47 Cd3 N16 O16.5
Calculated formula	C62 H47 Cd3 N16 O16.5
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	13.424 ± 0.005 Å
b	15.123 ± 0.005 Å
c	15.702 ± 0.005 Å
α	79.627 ± 0.005°
β	75.548 ± 0.005°
γ	80.163 ± 0.005°
Cell volume	3009.7 ± 1.8 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	0.0815
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	4505921.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505921.cif
57387	2012-05-18	cif/ Adding structures of 4505918, 4505919, 4505920, 4505921 via cif-deposit CGI script.	4505921.cif