Crystallography Open Database

Information card for entry 4001676

Preview

Coordinates	4001676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H89 Ag3 Cl6 Gd N25 O25
Calculated formula	C94 H87 Ag3 Cl6 Gd N25 O25
Title of publication	Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor
Authors of publication	Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	10
Pages of publication	1954
a	14.2458 ± 0.0001 Å
b	25.8856 ± 0.0002 Å
c	27.836 ± 0.0002 Å
α	90°
β	97.447 ± 0.001°
γ	90°
Cell volume	10178.2 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2096
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4001676.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001676.cif
71980	2013-01-21	cif/ Adding structures of 4001673, 4001674, 4001675, 4001676 via cif-deposit CGI script.	4001676.cif