Crystallography Open Database

Information card for entry 4502216

Preview

Coordinates	4502216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Ni4 O24
Calculated formula	C20 H28 Ni4 O24
Title of publication	Construction of Metal−Organic Frameworks with Tetranuclear Metal Clusters: Hydrothermal Synthesis, Structure, and Magnetic Properties
Authors of publication	Wang, Guan-Hua; Lei, Yong-Qian; Wang, Ning; He, Ren-Ling; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	2
Pages of publication	534
a	12.4121 ± 0.0012 Å
b	19.0669 ± 0.0018 Å
c	13.6077 ± 0.0014 Å
α	90°
β	112.135 ± 0.002°
γ	90°
Cell volume	2983.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0665
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179553 (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 4/50/22.	4502216.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502216.cif
36292	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502216 via cif-deposit CGI script.	4502216.cif