Crystallography Open Database

Information card for entry 4512294

Preview

Coordinates	4512294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H110 Fe4 N2 O118 Sb2 Sm2 W18
Calculated formula	C8 H18 Fe4 N2 O118 Sb2 Sm2 W18
Title of publication	First Tungstoantimonate-Based Transition-Metal‒Lanthanide Heterometallic Hybrids Functionalized by Amino Acid Ligands
Authors of publication	Zhao, Jun-Wei; Cao, Jing; Li, Yan-Zhou; Zhang, Jing; Chen, Li-Juan
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6217
a	12.6058 ± 0.0005 Å
b	13.5742 ± 0.0005 Å
c	16.2643 ± 0.0007 Å
α	106.991 ± 0.001°
β	99.967 ± 0.001°
γ	96.756 ± 0.001°
Cell volume	2579.25 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179669 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/22.	4512294.cif
131336	2015-02-07	cif/ Updating files of 4512292, 4512293, 4512294, 4512295, 4512296, 4512297, 4512298 Original log message: Adding full bibliography for 4512292--4512298.cif.	4512294.cif
127345	2014-11-16	cif/ Adding structures of 4512292, 4512293, 4512294, 4512295, 4512296, 4512297, 4512298 via cif-deposit CGI script.	4512294.cif