Crystallography Open Database

Information card for entry 7205796

7205795 << 7205796 >> 7205797

Preview

Coordinates	7205796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu0.5 N3 Nd2 O17 S
Calculated formula	C20 H16 Cu0.5 N3 Nd2 O17 S
Title of publication	3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
Authors of publication	Xu, Jing; Su, Weiping; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	3998
a	10.51 Å
b	10.9229 ± 0.0004 Å
c	13.025 ± 0.0001 Å
α	88.851 ± 0.007°
β	66.903 ± 0.005°
γ	80.45 ± 0.007°
Cell volume	1354.67 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205796.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205796.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205796.cif
21013	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205795, 7205796, 7205797, 7205798 via cif-deposit CGI script.	7205796.cif