Crystallography Open Database

Information card for entry 7214101

Preview

Coordinates	7214101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H287 Co8 N21 O119 Zr18
Calculated formula	C174 H287 Co8 N21 O119 Zr18
Title of publication	Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters
Authors of publication	Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	1
Pages of publication	43
a	36.819 ± 0.004 Å
b	31.046 ± 0.003 Å
c	28.384 ± 0.005 Å
α	90°
β	123.688 ± 0.001°
γ	90°
Cell volume	26997 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1198
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2613
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180472 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/41.	7214101.cif
105241	2014-03-12	cif/ Adding structures of 7214100, 7214101 via cif-deposit CGI script.	7214101.cif