Crystallography Open Database

Information card for entry 4000945

Preview

Coordinates	4000945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 Ca2 O14
Calculated formula	C30 H20 Ca2 O14
Title of publication	Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications
Authors of publication	Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	7
Pages of publication	2255
a	7.5411 ± 0.0016 Å
b	6.6118 ± 0.0014 Å
c	27.999 ± 0.006 Å
α	90°
β	97.065 ± 0.003°
γ	90°
Cell volume	1385.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.222
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000945.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000945.cif
36592	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000945 via cif-deposit CGI script.	4000945.cif