Crystallography Open Database

Information card for entry 4505495

Preview

Coordinates	4505495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H91 Cu4 N18 O85 Si2 Sm W22
Calculated formula	C18 H72 Cu4 N18 O85 Si2 Sm W22
Title of publication	Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals
Authors of publication	Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1263
a	22.247 ± 0.0007 Å
b	11.7997 ± 0.0004 Å
c	39.9452 ± 0.0013 Å
α	90°
β	102.201 ± 0.001°
γ	90°
Cell volume	10249.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505495.cif
51775	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505487, 4505488, 4505489, 4505490, 4505491, 4505492, 4505493, 4505494, 4505495 via cif-deposit CGI script.	4505495.cif