Crystallography Open Database

Information card for entry 4505522

Preview

Coordinates	4505522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N Nd O9
Calculated formula	C21 H21 N Nd O9
Title of publication	Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid
Authors of publication	Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1337
a	19.0944 ± 0.0008 Å
b	15.4582 ± 0.0004 Å
c	18.8603 ± 0.001 Å
α	90°
β	116.906 ± 0.002°
γ	90°
Cell volume	4964.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0631
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	0.912
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
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505522.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505522.cif
51784	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505519, 4505520, 4505521, 4505522, 4505523, 4505524, 4505525, 4505526 via cif-deposit CGI script.	4505522.cif