Crystallography Open Database

Information card for entry 4500527

Preview

Coordinates	4500527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 Er N4 O13 Zn
Calculated formula	C26 H19 Er N4 O13 Zn
Title of publication	Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets
Authors of publication	Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1705
a	7.747 ± 0.0017 Å
b	12.44 ± 0.003 Å
c	29.949 ± 0.007 Å
α	90°
β	93.328 ± 0.004°
γ	90°
Cell volume	2881.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0466
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 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.	4500527.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500527.cif
34532	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500523, 4500524, 4500525, 4500526, 4500527, 4500528 via cif-deposit CGI script.	4500527.cif